NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4017 | 1ejp | 4591 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1HT ARG 1 7.001 -23.161 -23.924 2 2H ARG 1 2HT ARG 1 7.502 -22.539 -25.424 3 3H ARG 1 3HT ARG 1 7.485 -24.217 -25.161 4 HA ARG 1 HA ARG 1 5.085 -24.231 -25.022 5 1HB ARG 1 2HB ARG 1 5.723 -21.380 -24.688 6 2HB ARG 1 1HB ARG 1 4.354 -21.663 -25.763 7 1HG ARG 1 2HG ARG 1 3.048 -22.551 -24.096 8 2HG ARG 1 1HG ARG 1 4.427 -23.243 -23.240 9 1HD ARG 1 2HD ARG 1 5.059 -21.047 -22.380 10 2HD ARG 1 1HD ARG 1 3.781 -20.273 -23.338 11 HE ARG 1 HE ARG 1 2.980 -22.420 -21.446 12 1HH1 ARG 1 1HH2 ARG 1 1.040 -20.538 -22.780 13 2HH1 ARG 1 2HH2 ARG 1 0.706 -19.413 -21.506 14 1HH2 ARG 1 1HH1 ARG 1 3.449 -20.349 -19.602 15 2HH2 ARG 1 2HH1 ARG 1 2.070 -19.306 -19.706 16 H MET 2 H MET 2 7.000 -24.845 -27.003 17 HA MET 2 HA MET 2 5.922 -23.575 -29.490 18 1HB MET 2 2HB MET 2 8.402 -23.578 -28.880 19 2HB MET 2 1HB MET 2 8.370 -25.325 -29.124 20 1HG MET 2 2HG MET 2 7.156 -23.742 -31.306 21 2HG MET 2 1HG MET 2 8.894 -23.520 -31.105 22 1HE MET 2 1HE MET 2 9.944 -25.035 -33.351 23 2HE MET 2 2HE MET 2 10.611 -26.310 -32.334 24 3HE MET 2 3HE MET 2 10.484 -24.668 -31.709 25 H LYS 3 H LYS 3 4.407 -24.789 -30.548 26 HA LYS 3 HA LYS 3 3.122 -26.687 -31.163 27 1HB LYS 3 2HB LYS 3 5.881 -26.846 -31.897 28 2HB LYS 3 1HB LYS 3 5.340 -28.476 -31.490 29 1HG LYS 3 2HG LYS 3 3.483 -28.306 -33.048 30 2HG LYS 3 1HG LYS 3 3.865 -26.615 -33.374 31 1HD LYS 3 2HD LYS 3 6.102 -27.336 -34.236 32 2HD LYS 3 1HD LYS 3 5.601 -29.014 -34.024 33 1HE LYS 3 2HE LYS 3 3.543 -28.355 -35.489 34 2HE LYS 3 1HE LYS 3 4.540 -26.968 -35.970 35 1HZ LYS 3 1HZ LYS 3 5.067 -29.844 -36.333 36 2HZ LYS 3 2HZ LYS 3 6.372 -28.764 -36.208 37 3HZ LYS 3 3HZ LYS 3 5.230 -28.578 -37.452 38 H LYS 4 H LYS 4 2.850 -26.594 -28.516 39 HA LYS 4 HA LYS 4 3.216 -29.427 -27.651 40 1HB LYS 4 2HB LYS 4 3.982 -28.535 -25.431 41 2HB LYS 4 1HB LYS 4 5.090 -28.146 -26.747 42 1HG LYS 4 2HG LYS 4 4.915 -26.005 -26.022 43 2HG LYS 4 1HG LYS 4 3.336 -26.018 -26.807 44 1HD LYS 4 2HD LYS 4 2.536 -27.087 -24.539 45 2HD LYS 4 1HD LYS 4 4.004 -26.349 -23.899 46 1HE LYS 4 2HE LYS 4 3.212 -24.169 -25.020 47 2HE LYS 4 1HE LYS 4 1.638 -24.973 -25.192 48 1HZ LYS 4 1HZ LYS 4 1.483 -25.308 -22.890 49 2HZ LYS 4 2HZ LYS 4 2.033 -23.707 -23.041 50 3HZ LYS 4 3HZ LYS 4 3.120 -24.945 -22.628 51 H LYS 5 H LYS 5 1.063 -27.113 -28.314 52 HA LYS 5 HA LYS 5 -1.100 -26.554 -27.522 53 1HB LYS 5 2HB LYS 5 -0.612 -29.347 -27.639 54 2HB LYS 5 1HB LYS 5 -1.561 -29.068 -26.179 55 1HG LYS 5 2HG LYS 5 -2.891 -27.458 -27.901 56 2HG LYS 5 1HG LYS 5 -2.314 -28.687 -29.026 57 1HD LYS 5 2HD LYS 5 -3.275 -29.988 -26.654 58 2HD LYS 5 1HD LYS 5 -4.512 -28.869 -27.231 59 1HE LYS 5 2HE LYS 5 -4.898 -30.948 -28.388 60 2HE LYS 5 1HE LYS 5 -4.114 -29.878 -29.567 61 1HZ LYS 5 1HZ LYS 5 -1.961 -30.797 -28.845 62 2HZ LYS 5 2HZ LYS 5 -2.967 -31.982 -29.528 63 3HZ LYS 5 3HZ LYS 5 -2.775 -31.896 -27.843 64 H ASP 6 H ASP 6 -2.537 -27.038 -25.317 65 HA ASP 6 HA ASP 6 -2.725 -26.623 -22.993 66 1HB ASP 6 2HB ASP 6 -0.578 -28.299 -23.372 67 2HB ASP 6 1HB ASP 6 0.170 -26.952 -22.511 68 H GLU 7 H GLU 7 -2.991 -24.523 -22.361 69 HA GLU 7 HA GLU 7 -0.716 -22.611 -22.798 70 1HB GLU 7 2HB GLU 7 -2.470 -20.924 -23.169 71 2HB GLU 7 1HB GLU 7 -2.712 -22.292 -24.257 72 1HG GLU 7 2HG GLU 7 -4.052 -22.379 -21.586 73 2HG GLU 7 1HG GLU 7 -4.724 -21.303 -22.812 74 H GLY 8 H GLY 8 -1.591 -20.496 -21.298 75 1HA GLY 8 2HA GLY 8 -1.563 -21.635 -18.550 76 2HA GLY 8 1HA GLY 8 -1.066 -19.997 -18.978 77 H SER 9 H SER 9 -2.534 -18.420 -18.583 78 HA SER 9 HA SER 9 -5.375 -18.740 -19.029 79 1HB SER 9 2HB SER 9 -4.467 -19.944 -16.760 80 2HB SER 9 1HB SER 9 -4.841 -18.336 -16.142 81 HG SER 9 HG SER 9 -6.701 -19.509 -17.845 82 H TYR 10 H TYR 10 -6.394 -16.831 -17.331 83 HA TYR 10 HA TYR 10 -6.631 -14.469 -17.326 84 1HB TYR 10 2HB TYR 10 -4.516 -15.466 -15.788 85 2HB TYR 10 1HB TYR 10 -3.830 -14.068 -16.614 86 HD1 TYR 10 HD1 TYR 10 -6.594 -12.633 -16.897 87 HD2 TYR 10 HD2 TYR 10 -4.511 -14.405 -13.584 88 HE1 TYR 10 HE1 TYR 10 -7.791 -11.122 -15.336 89 HE2 TYR 10 HE2 TYR 10 -5.708 -12.894 -12.023 90 HH TYR 10 HH TYR 10 -6.850 -10.707 -12.097 91 H ASP 11 H ASP 11 -4.819 -12.428 -17.827 92 HA ASP 11 HA ASP 11 -3.349 -12.800 -20.299 93 1HB ASP 11 2HB ASP 11 -6.225 -12.187 -20.291 94 2HB ASP 11 1HB ASP 11 -5.273 -11.052 -21.249 95 H LEU 12 H LEU 12 -5.409 -10.100 -19.190 96 HA LEU 12 HA LEU 12 -4.800 -7.848 -18.750 97 1HB LEU 12 2HB LEU 12 -2.532 -9.233 -17.297 98 2HB LEU 12 1HB LEU 12 -3.375 -7.759 -16.825 99 HG LEU 12 HG LEU 12 -5.332 -9.813 -17.131 100 1HD1 LEU 12 1HD1 LEU 12 -2.944 -10.585 -15.427 101 2HD1 LEU 12 2HD1 LEU 12 -3.549 -11.452 -16.839 102 3HD1 LEU 12 3HD1 LEU 12 -4.516 -11.383 -15.365 103 1HD2 LEU 12 1HD2 LEU 12 -5.711 -9.329 -14.738 104 2HD2 LEU 12 2HD2 LEU 12 -5.469 -7.838 -15.649 105 3HD2 LEU 12 3HD2 LEU 12 -4.162 -8.491 -14.661 106 H GLY 13 H GLY 13 -2.423 -6.552 -18.435 107 1HA GLY 13 2HA GLY 13 -1.018 -7.072 -21.024 108 2HA GLY 13 1HA GLY 13 -1.222 -5.464 -20.325 109 H LYS 14 H LYS 14 -0.157 -5.144 -18.143 110 HA LYS 14 HA LYS 14 1.939 -6.960 -17.299 111 1HB LYS 14 2HB LYS 14 2.930 -6.176 -19.379 112 2HB LYS 14 1HB LYS 14 2.611 -4.498 -18.937 113 1HG LYS 14 2HG LYS 14 4.058 -4.939 -16.861 114 2HG LYS 14 1HG LYS 14 4.575 -6.416 -17.675 115 1HD LYS 14 2HD LYS 14 4.896 -3.572 -18.672 116 2HD LYS 14 1HD LYS 14 6.180 -4.690 -18.210 117 1HE LYS 14 2HE LYS 14 4.247 -5.138 -20.516 118 2HE LYS 14 1HE LYS 14 5.929 -4.593 -20.683 119 1HZ LYS 14 1HZ LYS 14 6.586 -6.579 -19.376 120 2HZ LYS 14 2HZ LYS 14 5.896 -6.965 -20.879 121 3HZ LYS 14 3HZ LYS 14 4.984 -7.129 -19.456 122 H LYS 15 H LYS 15 2.567 -3.530 -17.331 123 HA LYS 15 HA LYS 15 1.576 -3.311 -14.511 124 1HB LYS 15 2HB LYS 15 4.254 -2.633 -15.743 125 2HB LYS 15 1HB LYS 15 3.737 -1.935 -14.208 126 1HG LYS 15 2HG LYS 15 3.199 -4.481 -13.641 127 2HG LYS 15 1HG LYS 15 4.436 -4.766 -14.865 128 1HD LYS 15 2HD LYS 15 6.069 -3.522 -13.643 129 2HD LYS 15 1HD LYS 15 4.850 -2.858 -12.555 130 1HE LYS 15 2HE LYS 15 4.605 -4.880 -11.383 131 2HE LYS 15 1HE LYS 15 5.255 -5.843 -12.725 132 1HZ LYS 15 1HZ LYS 15 7.389 -4.697 -12.425 133 2HZ LYS 15 2HZ LYS 15 6.943 -5.572 -11.038 134 3HZ LYS 15 3HZ LYS 15 6.762 -3.883 -11.075 135 HA PRO 16 HA PRO 16 -0.231 0.327 -16.310 136 1HB PRO 16 2HB PRO 16 -1.336 1.304 -14.005 137 2HB PRO 16 1HB PRO 16 -2.037 -0.049 -14.913 138 1HG PRO 16 2HG PRO 16 -0.387 -0.081 -12.439 139 2HG PRO 16 1HG PRO 16 -1.756 -1.104 -12.896 140 1HD PRO 16 2HD PRO 16 0.868 -1.890 -13.055 141 2HD PRO 16 1HD PRO 16 -0.436 -2.568 -14.053 142 H ILE 17 H ILE 17 1.436 1.760 -16.827 143 HA ILE 17 HA ILE 17 3.049 2.989 -14.670 144 HB ILE 17 HB ILE 17 3.169 3.550 -17.629 145 1HG1 ILE 17 2HG1 ILE 17 5.036 1.564 -17.166 146 2HG1 ILE 17 1HG1 ILE 17 3.647 1.013 -16.229 147 1HG2 ILE 17 1HG2 ILE 17 4.893 3.918 -15.251 148 2HG2 ILE 17 2HG2 ILE 17 4.803 4.867 -16.734 149 3HG2 ILE 17 3HG2 ILE 17 5.720 3.361 -16.706 150 1HD1 ILE 17 1HD1 ILE 17 3.953 1.300 -19.164 151 2HD1 ILE 17 2HD1 ILE 17 2.398 1.804 -18.504 152 3HD1 ILE 17 3HD1 ILE 17 2.976 0.159 -18.241 153 H TYR 18 H TYR 18 3.497 5.502 -15.335 154 HA TYR 18 HA TYR 18 1.189 6.985 -16.300 155 1HB TYR 18 2HB TYR 18 0.798 5.948 -13.858 156 2HB TYR 18 1HB TYR 18 1.686 7.395 -13.380 157 HD1 TYR 18 HD1 TYR 18 -0.969 6.514 -15.894 158 HD2 TYR 18 HD2 TYR 18 0.361 9.223 -12.836 159 HE1 TYR 18 HE1 TYR 18 -3.015 7.879 -16.213 160 HE2 TYR 18 HE2 TYR 18 -1.686 10.587 -13.154 161 HH TYR 18 HH TYR 18 -4.313 9.504 -15.213 162 H LYS 19 H LYS 19 3.351 7.640 -17.399 163 HA LYS 19 HA LYS 19 4.559 9.902 -15.845 164 1HB LYS 19 2HB LYS 19 5.929 7.738 -16.059 165 2HB LYS 19 1HB LYS 19 6.041 8.108 -17.780 166 1HG LYS 19 2HG LYS 19 7.932 9.213 -17.082 167 2HG LYS 19 1HG LYS 19 6.763 10.502 -16.799 168 1HD LYS 19 2HD LYS 19 6.487 9.591 -14.447 169 2HD LYS 19 1HD LYS 19 7.869 8.544 -14.772 170 1HE LYS 19 2HE LYS 19 8.896 10.931 -15.577 171 2HE LYS 19 1HE LYS 19 7.801 11.472 -14.289 172 1HZ LYS 19 1HZ LYS 19 9.555 10.842 -13.010 173 2HZ LYS 19 2HZ LYS 19 10.123 9.701 -14.134 174 3HZ LYS 19 3HZ LYS 19 8.799 9.329 -13.136 175 H LYS 20 H LYS 20 5.266 11.688 -17.188 176 HA LYS 20 HA LYS 20 5.219 11.830 -20.003 177 1HB LYS 20 2HB LYS 20 2.647 11.478 -18.796 178 2HB LYS 20 1HB LYS 20 2.705 13.101 -19.486 179 1HG LYS 20 2HG LYS 20 3.939 11.359 -21.363 180 2HG LYS 20 1HG LYS 20 2.436 10.589 -20.855 181 1HD LYS 20 2HD LYS 20 1.129 12.221 -21.783 182 2HD LYS 20 1HD LYS 20 2.276 13.503 -21.391 183 1HE LYS 20 2HE LYS 20 3.764 12.239 -23.221 184 2HE LYS 20 1HE LYS 20 2.163 11.741 -23.805 185 1HZ LYS 20 1HZ LYS 20 3.303 14.428 -23.575 186 2HZ LYS 20 2HZ LYS 20 1.639 14.253 -23.282 187 3HZ LYS 20 3HZ LYS 20 2.294 13.785 -24.777 188 H ALA 21 H ALA 21 6.249 13.751 -20.410 189 HA ALA 21 HA ALA 21 5.433 16.257 -19.177 190 1HB ALA 21 1HB ALA 21 6.630 15.933 -17.273 191 2HB ALA 21 2HB ALA 21 8.066 16.152 -18.273 192 3HB ALA 21 3HB ALA 21 7.455 14.529 -17.949 193 HA PRO 22 HA PRO 22 7.503 17.542 -22.849 194 1HB PRO 22 2HB PRO 22 7.547 20.236 -22.352 195 2HB PRO 22 1HB PRO 22 6.080 19.366 -22.842 196 1HG PRO 22 2HG PRO 22 6.928 20.274 -20.138 197 2HG PRO 22 1HG PRO 22 5.316 20.247 -20.865 198 1HD PRO 22 2HD PRO 22 6.203 18.387 -19.064 199 2HD PRO 22 1HD PRO 22 4.949 18.065 -20.282 200 H THR 23 H THR 23 9.325 19.567 -23.130 201 HA THR 23 HA THR 23 11.319 19.621 -21.013 202 HB THR 23 HB THR 23 11.588 17.794 -23.411 203 HG1 THR 23 HG1 THR 23 12.238 16.393 -21.602 204 1HG2 THR 23 1HG2 THR 23 13.689 19.050 -21.667 205 2HG2 THR 23 2HG2 THR 23 13.696 18.808 -23.414 206 3HG2 THR 23 3HG2 THR 23 13.946 17.437 -22.333 207 H ASN 24 H ASN 24 10.785 21.916 -21.753 208 HA ASN 24 HA ASN 24 12.821 22.804 -23.689 209 1HB ASN 24 2HB ASN 24 10.847 22.136 -25.053 210 2HB ASN 24 1HB ASN 24 9.852 23.266 -24.135 211 1HD2 ASN 24 1HD2 ASN 24 10.088 25.544 -24.579 212 2HD2 ASN 24 2HD2 ASN 24 11.028 26.125 -25.867 213 H GLU 25 H GLU 25 13.291 25.048 -23.425 214 HA GLU 25 HA GLU 25 12.242 26.235 -20.919 215 1HB GLU 25 2HB GLU 25 14.496 26.886 -22.841 216 2HB GLU 25 1HB GLU 25 14.140 27.851 -21.409 217 1HG GLU 25 2HG GLU 25 15.311 26.406 -20.147 218 2HG GLU 25 1HG GLU 25 14.207 25.113 -20.613 219 H PHE 26 H PHE 26 11.059 28.164 -20.882 220 HA PHE 26 HA PHE 26 9.747 28.963 -23.381 221 1HB PHE 26 2HB PHE 26 8.238 30.042 -21.930 222 2HB PHE 26 1HB PHE 26 8.825 28.712 -20.936 223 HD1 PHE 26 HD1 PHE 26 8.455 32.264 -21.193 224 HD2 PHE 26 HD2 PHE 26 10.861 29.194 -19.388 225 HE1 PHE 26 HE1 PHE 26 9.266 33.889 -19.506 226 HE2 PHE 26 HE2 PHE 26 11.675 30.822 -17.706 227 HZ PHE 26 HZ PHE 26 10.878 33.169 -17.764 228 H TYR 27 H TYR 27 12.500 29.500 -23.556 229 HA TYR 27 HA TYR 27 12.465 32.475 -23.726 230 1HB TYR 27 2HB TYR 27 13.520 32.061 -21.621 231 2HB TYR 27 1HB TYR 27 14.439 30.703 -22.270 232 HD1 TYR 27 HD1 TYR 27 16.699 31.346 -22.037 233 HD2 TYR 27 HD2 TYR 27 13.868 34.084 -23.753 234 HE1 TYR 27 HE1 TYR 27 18.550 32.883 -22.638 235 HE2 TYR 27 HE2 TYR 27 15.721 35.621 -24.353 236 HH TYR 27 HH TYR 27 17.997 36.103 -23.686 237 H ALA 28 HN ALA 28 13.495 33.200 -25.583 238 HA ALA 28 HA ALA 28 14.239 31.311 -27.635 239 1HB ALA 28 1HB ALA 28 14.871 33.415 -28.825 240 2HB ALA 28 2HB ALA 28 14.680 34.299 -27.311 241 3HB ALA 28 3HB ALA 28 13.284 33.532 -28.066 242 1H ARG 1 1HT ARG 1 -15.617 -17.078 -7.745 243 2H ARG 1 2HT ARG 1 -15.765 -16.125 -6.347 244 3H ARG 1 3HT ARG 1 -16.469 -17.670 -6.403 245 HA ARG 1 HA ARG 1 -14.305 -18.716 -6.474 246 1HB ARG 1 2HB ARG 1 -13.684 -15.928 -7.168 247 2HB ARG 1 1HB ARG 1 -12.535 -16.632 -6.030 248 1HG ARG 1 2HG ARG 1 -11.774 -18.185 -7.542 249 2HG ARG 1 1HG ARG 1 -13.338 -18.324 -8.346 250 1HD ARG 1 2HD ARG 1 -13.003 -16.190 -9.481 251 2HD ARG 1 1HD ARG 1 -11.492 -15.921 -8.589 252 HE ARG 1 HE ARG 1 -11.728 -18.417 -10.185 253 1HH1 ARG 1 1HH2 ARG 1 -9.139 -17.387 -9.038 254 2HH1 ARG 1 2HH2 ARG 1 -8.394 -16.674 -10.430 255 1HH2 ARG 1 1HH1 ARG 1 -11.325 -16.583 -12.279 256 2HH2 ARG 1 2HH1 ARG 1 -9.633 -16.217 -12.264 257 H MET 2 H MET 2 -16.244 -18.217 -4.487 258 HA MET 2 HA MET 2 -14.664 -17.232 -2.143 259 1HB MET 2 2HB MET 2 -16.926 -16.258 -2.817 260 2HB MET 2 1HB MET 2 -17.631 -17.810 -2.361 261 1HG MET 2 2HG MET 2 -15.803 -16.640 -0.354 262 2HG MET 2 1HG MET 2 -17.288 -15.727 -0.628 263 1HE MET 2 1HE MET 2 -18.820 -16.371 1.756 264 2HE MET 2 2HE MET 2 -19.991 -17.357 0.883 265 3HE MET 2 3HE MET 2 -19.197 -16.012 0.066 266 H LYS 3 H LYS 3 -13.779 -18.836 -0.906 267 HA LYS 3 HA LYS 3 -13.403 -21.010 -0.030 268 1HB LYS 3 2HB LYS 3 -15.948 -19.895 0.642 269 2HB LYS 3 1HB LYS 3 -16.159 -21.636 0.450 270 1HG LYS 3 2HG LYS 3 -14.364 -22.082 2.027 271 2HG LYS 3 1HG LYS 3 -13.984 -20.362 2.136 272 1HD LYS 3 2HD LYS 3 -16.291 -19.957 3.017 273 2HD LYS 3 1HD LYS 3 -16.556 -21.702 3.023 274 1HE LYS 3 2HE LYS 3 -14.374 -21.805 4.453 275 2HE LYS 3 1HE LYS 3 -14.675 -20.079 4.736 276 1HZ LYS 3 1HZ LYS 3 -16.361 -22.393 5.429 277 2HZ LYS 3 2HZ LYS 3 -17.088 -20.885 5.139 278 3HZ LYS 3 3HZ LYS 3 -15.942 -21.054 6.382 279 H LYS 4 H LYS 4 -13.188 -21.362 -2.661 280 HA LYS 4 HA LYS 4 -14.744 -23.855 -3.186 281 1HB LYS 4 2HB LYS 4 -15.118 -22.999 -5.518 282 2HB LYS 4 1HB LYS 4 -15.922 -22.020 -4.290 283 1HG LYS 4 2HG LYS 4 -14.875 -20.260 -5.263 284 2HG LYS 4 1HG LYS 4 -13.430 -20.847 -4.439 285 1HD LYS 4 2HD LYS 4 -13.219 -22.419 -6.538 286 2HD LYS 4 1HD LYS 4 -14.254 -21.213 -7.303 287 1HE LYS 4 2HE LYS 4 -12.582 -19.455 -6.432 288 2HE LYS 4 1HE LYS 4 -11.494 -20.822 -6.124 289 1HZ LYS 4 1HZ LYS 4 -11.559 -21.468 -8.363 290 2HZ LYS 4 2HZ LYS 4 -11.373 -19.780 -8.422 291 3HZ LYS 4 3HZ LYS 4 -12.893 -20.481 -8.711 292 H LYS 5 H LYS 5 -11.796 -22.609 -2.751 293 HA LYS 5 HA LYS 5 -9.622 -23.120 -3.545 294 1HB LYS 5 2HB LYS 5 -11.244 -25.406 -3.104 295 2HB LYS 5 1HB LYS 5 -10.305 -25.735 -4.561 296 1HG LYS 5 2HG LYS 5 -8.372 -24.645 -3.011 297 2HG LYS 5 1HG LYS 5 -9.386 -25.368 -1.762 298 1HD LYS 5 2HD LYS 5 -9.131 -27.230 -3.932 299 2HD LYS 5 1HD LYS 5 -7.522 -26.679 -3.461 300 1HE LYS 5 2HE LYS 5 -8.021 -28.569 -2.051 301 2HE LYS 5 1HE LYS 5 -8.247 -27.134 -1.031 302 1HZ LYS 5 1HZ LYS 5 -10.604 -27.133 -1.695 303 2HZ LYS 5 2HZ LYS 5 -10.176 -28.542 -0.846 304 3HZ LYS 5 3HZ LYS 5 -10.360 -28.587 -2.534 305 H ASP 6 H ASP 6 -8.586 -24.431 -5.637 306 HA ASP 6 HA ASP 6 -8.302 -24.420 -7.987 307 1HB ASP 6 2HB ASP 6 -10.946 -24.969 -7.466 308 2HB ASP 6 1HB ASP 6 -11.076 -23.548 -8.503 309 H GLU 7 H GLU 7 -7.189 -22.724 -8.861 310 HA GLU 7 HA GLU 7 -8.426 -19.991 -8.722 311 1HB GLU 7 2HB GLU 7 -6.113 -19.175 -8.509 312 2HB GLU 7 1HB GLU 7 -6.445 -20.374 -7.258 313 1HG GLU 7 2HG GLU 7 -5.340 -21.343 -9.861 314 2HG GLU 7 1HG GLU 7 -4.243 -20.514 -8.756 315 H GLY 8 H GLY 8 -6.778 -18.644 -10.442 316 1HA GLY 8 2HA GLY 8 -7.361 -19.988 -13.031 317 2HA GLY 8 1HA GLY 8 -7.105 -18.255 -12.817 318 H SER 9 H SER 9 -5.118 -17.509 -13.362 319 HA SER 9 HA SER 9 -2.670 -18.947 -12.804 320 1HB SER 9 2HB SER 9 -4.064 -19.917 -14.936 321 2HB SER 9 1HB SER 9 -3.061 -18.707 -15.733 322 HG SER 9 HG SER 9 -1.827 -20.341 -13.850 323 H TYR 10 H TYR 10 -0.984 -17.870 -14.691 324 HA TYR 10 HA TYR 10 0.231 -15.851 -14.977 325 1HB TYR 10 2HB TYR 10 -2.147 -16.036 -16.439 326 2HB TYR 10 1HB TYR 10 -2.153 -14.390 -15.806 327 HD1 TYR 10 HD1 TYR 10 0.964 -14.240 -15.627 328 HD2 TYR 10 HD2 TYR 10 -1.762 -15.349 -18.754 329 HE1 TYR 10 HE1 TYR 10 2.646 -13.579 -17.325 330 HE2 TYR 10 HE2 TYR 10 -0.080 -14.690 -20.454 331 HH TYR 10 HH TYR 10 1.881 -13.201 -20.615 332 H ASP 11 H ASP 11 -0.531 -13.192 -14.776 333 HA ASP 11 HA ASP 11 -1.952 -12.601 -12.317 334 1HB ASP 11 2HB ASP 11 0.911 -13.272 -12.322 335 2HB ASP 11 1HB ASP 11 0.556 -11.733 -11.535 336 H LEU 12 H LEU 12 1.027 -11.186 -13.689 337 HA LEU 12 HA LEU 12 1.417 -8.960 -14.416 338 1HB LEU 12 2HB LEU 12 -1.262 -9.418 -15.750 339 2HB LEU 12 1HB LEU 12 0.114 -8.509 -16.376 340 HG LEU 12 HG LEU 12 1.024 -11.144 -15.770 341 1HD1 LEU 12 1HD1 LEU 12 -1.513 -11.034 -17.430 342 2HD1 LEU 12 2HD1 LEU 12 -1.293 -11.897 -15.908 343 3HD1 LEU 12 3HD1 LEU 12 -0.430 -12.423 -17.354 344 1HD2 LEU 12 1HD2 LEU 12 1.506 -11.161 -18.193 345 2HD2 LEU 12 2HD2 LEU 12 1.943 -9.610 -17.475 346 3HD2 LEU 12 3HD2 LEU 12 0.457 -9.761 -18.412 347 H GLY 13 H GLY 13 -0.193 -6.827 -14.950 348 1HA GLY 13 2HA GLY 13 -1.616 -6.384 -12.355 349 2HA GLY 13 1HA GLY 13 -0.770 -5.113 -13.239 350 H LYS 14 H LYS 14 -1.658 -4.638 -15.472 351 HA LYS 14 HA LYS 14 -4.348 -5.482 -16.144 352 1HB LYS 14 2HB LYS 14 -4.855 -4.106 -14.202 353 2HB LYS 14 1HB LYS 14 -3.868 -2.789 -14.836 354 1HG LYS 14 2HG LYS 14 -5.422 -2.824 -16.882 355 2HG LYS 14 1HG LYS 14 -6.494 -3.832 -15.909 356 1HD LYS 14 2HD LYS 14 -5.552 -1.023 -15.272 357 2HD LYS 14 1HD LYS 14 -7.201 -1.538 -15.630 358 1HE LYS 14 2HE LYS 14 -5.578 -2.479 -13.236 359 2HE LYS 14 1HE LYS 14 -6.865 -1.258 -13.182 360 1HZ LYS 14 1HZ LYS 14 -8.337 -2.920 -14.256 361 2HZ LYS 14 2HZ LYS 14 -7.835 -3.377 -12.698 362 3HZ LYS 14 3HZ LYS 14 -7.118 -4.083 -14.067 363 H LYS 15 H LYS 15 -3.462 -2.134 -16.545 364 HA LYS 15 HA LYS 15 -2.548 -2.699 -19.343 365 1HB LYS 15 2HB LYS 15 -4.651 -0.805 -18.276 366 2HB LYS 15 1HB LYS 15 -3.930 -0.585 -19.871 367 1HG LYS 15 2HG LYS 15 -4.536 -3.167 -20.109 368 2HG LYS 15 1HG LYS 15 -5.744 -2.751 -18.894 369 1HD LYS 15 2HD LYS 15 -6.729 -1.090 -20.302 370 2HD LYS 15 1HD LYS 15 -5.373 -1.142 -21.428 371 1HE LYS 15 2HE LYS 15 -6.040 -3.202 -22.340 372 2HE LYS 15 1HE LYS 15 -6.999 -3.630 -20.909 373 1HZ LYS 15 1HZ LYS 15 -8.454 -1.732 -21.403 374 2HZ LYS 15 2HZ LYS 15 -8.459 -2.874 -22.661 375 3HZ LYS 15 3HZ LYS 15 -7.579 -1.431 -22.825 376 HA PRO 16 HA PRO 16 0.678 0.018 -17.951 377 1HB PRO 16 2HB PRO 16 2.032 0.150 -20.326 378 2HB PRO 16 1HB PRO 16 2.117 -1.254 -19.243 379 1HG PRO 16 2HG PRO 16 0.543 -0.883 -21.739 380 2HG PRO 16 1HG PRO 16 1.361 -2.326 -21.123 381 1HD PRO 16 2HD PRO 16 -1.343 -1.898 -20.942 382 2HD PRO 16 1HD PRO 16 -0.424 -2.940 -19.835 383 H ILE 17 H ILE 17 -0.209 2.074 -17.656 384 HA ILE 17 HA ILE 17 -1.208 3.600 -19.989 385 HB ILE 17 HB ILE 17 -0.998 4.513 -17.124 386 1HG1 ILE 17 2HG1 ILE 17 -3.542 3.465 -17.393 387 2HG1 ILE 17 1HG1 ILE 17 -2.543 2.268 -18.219 388 1HG2 ILE 17 1HG2 ILE 17 -2.467 5.284 -19.575 389 2HG2 ILE 17 2HG2 ILE 17 -1.943 6.280 -18.215 390 3HG2 ILE 17 3HG2 ILE 17 -3.412 5.312 -18.086 391 1HD1 ILE 17 1HD1 ILE 17 -2.620 3.011 -15.348 392 2HD1 ILE 17 2HD1 ILE 17 -1.016 2.725 -16.023 393 3HD1 ILE 17 3HD1 ILE 17 -2.243 1.461 -16.101 394 H TYR 18 H TYR 18 -0.530 6.127 -19.644 395 HA TYR 18 HA TYR 18 2.214 6.597 -18.805 396 1HB TYR 18 2HB TYR 18 2.062 5.203 -21.092 397 2HB TYR 18 1HB TYR 18 1.859 6.821 -21.765 398 HD1 TYR 18 HD1 TYR 18 3.958 5.210 -19.092 399 HD2 TYR 18 HD2 TYR 18 3.819 7.834 -22.491 400 HE1 TYR 18 HE1 TYR 18 6.397 5.607 -18.886 401 HE2 TYR 18 HE2 TYR 18 6.258 8.231 -22.284 402 HH TYR 18 HH TYR 18 8.234 6.395 -20.040 403 H LYS 19 H LYS 19 0.563 8.233 -17.853 404 HA LYS 19 HA LYS 19 0.387 10.587 -19.701 405 1HB LYS 19 2HB LYS 19 -1.765 9.251 -19.263 406 2HB LYS 19 1HB LYS 19 -1.662 9.839 -17.603 407 1HG LYS 19 2HG LYS 19 -2.927 11.548 -18.481 408 2HG LYS 19 1HG LYS 19 -1.329 12.177 -18.888 409 1HD LYS 19 2HD LYS 19 -1.529 10.956 -21.104 410 2HD LYS 19 1HD LYS 19 -3.215 10.642 -20.692 411 1HE LYS 19 2HE LYS 19 -3.111 13.317 -20.209 412 2HE LYS 19 1HE LYS 19 -1.925 13.183 -21.523 413 1HZ LYS 19 1HZ LYS 19 -3.815 13.206 -22.764 414 2HZ LYS 19 2HZ LYS 19 -4.782 12.559 -21.526 415 3HZ LYS 19 3HZ LYS 19 -3.768 11.542 -22.435 416 H LYS 20 H LYS 20 0.540 12.653 -18.604 417 HA LYS 20 HA LYS 20 0.719 13.102 -15.826 418 1HB LYS 20 2HB LYS 20 2.865 11.549 -16.912 419 2HB LYS 20 1HB LYS 20 3.518 13.114 -16.426 420 1HG LYS 20 2HG LYS 20 1.715 12.301 -14.386 421 2HG LYS 20 1HG LYS 20 2.736 10.912 -14.757 422 1HD LYS 20 2HD LYS 20 4.635 11.935 -13.997 423 2HD LYS 20 1HD LYS 20 4.130 13.524 -14.572 424 1HE LYS 20 2HE LYS 20 2.297 13.241 -12.644 425 2HE LYS 20 1HE LYS 20 3.550 12.187 -11.960 426 1HZ LYS 20 1HZ LYS 20 3.652 15.055 -12.544 427 2HZ LYS 20 2HZ LYS 20 5.076 14.156 -12.770 428 3HZ LYS 20 3HZ LYS 20 4.324 14.195 -11.247 429 H ALA 21 H ALA 21 0.611 15.312 -15.682 430 HA ALA 21 HA ALA 21 2.378 17.067 -17.189 431 1HB ALA 21 1HB ALA 21 1.106 17.051 -19.070 432 2HB ALA 21 2HB ALA 21 -0.075 17.978 -18.144 433 3HB ALA 21 3HB ALA 21 -0.218 16.224 -18.252 434 HA PRO 22 HA PRO 22 1.148 19.543 -13.757 435 1HB PRO 22 2HB PRO 22 2.236 21.918 -14.577 436 2HB PRO 22 1HB PRO 22 3.209 20.575 -13.946 437 1HG PRO 22 2HG PRO 22 2.752 21.421 -16.763 438 2HG PRO 22 1HG PRO 22 4.222 20.802 -15.995 439 1HD PRO 22 2HD PRO 22 2.581 19.290 -17.579 440 2HD PRO 22 1HD PRO 22 3.612 18.618 -16.297 441 H THR 23 H THR 23 0.363 22.167 -13.771 442 HA THR 23 HA THR 23 -1.475 22.802 -15.934 443 HB THR 23 HB THR 23 -2.428 21.566 -13.340 444 HG1 THR 23 HG1 THR 23 -3.660 20.366 -14.983 445 1HG2 THR 23 1HG2 THR 23 -3.845 23.372 -15.280 446 2HG2 THR 23 2HG2 THR 23 -3.907 23.370 -13.517 447 3HG2 THR 23 3HG2 THR 23 -4.744 22.115 -14.430 448 H ASN 24 H ASN 24 -0.001 24.725 -15.462 449 HA ASN 24 HA ASN 24 -1.414 26.620 -13.704 450 1HB ASN 24 2HB ASN 24 0.126 25.349 -12.217 451 2HB ASN 24 1HB ASN 24 1.481 25.831 -13.238 452 1HD2 ASN 24 1HD2 ASN 24 2.246 28.029 -13.079 453 2HD2 ASN 24 2HD2 ASN 24 1.674 29.105 -11.898 454 H GLU 25 H GLU 25 -0.896 28.802 -14.250 455 HA GLU 25 HA GLU 25 0.490 29.119 -16.854 456 1HB GLU 25 2HB GLU 25 -1.224 30.891 -15.085 457 2HB GLU 25 1HB GLU 25 -0.532 31.434 -16.614 458 1HG GLU 25 2HG GLU 25 -2.238 30.480 -17.722 459 2HG GLU 25 1HG GLU 25 -1.774 28.906 -17.074 460 H PHE 26 H PHE 26 2.377 30.345 -17.091 461 HA PHE 26 HA PHE 26 3.970 30.809 -14.673 462 1HB PHE 26 2HB PHE 26 5.754 30.962 -16.202 463 2HB PHE 26 1HB PHE 26 4.633 29.896 -17.043 464 HD1 PHE 26 HD1 PHE 26 6.479 32.959 -17.209 465 HD2 PHE 26 HD2 PHE 26 2.952 31.005 -18.693 466 HE1 PHE 26 HE1 PHE 26 6.387 34.558 -19.102 467 HE2 PHE 26 HE2 PHE 26 2.859 32.607 -20.581 468 HZ PHE 26 HZ PHE 26 4.577 34.383 -20.788 469 H TYR 27 H TYR 27 1.709 32.478 -14.639 470 HA TYR 27 HA TYR 27 3.007 35.155 -14.830 471 1HB TYR 27 2HB TYR 27 1.819 34.976 -16.897 472 2HB TYR 27 1HB TYR 27 0.430 34.224 -16.113 473 HD1 TYR 27 HD1 TYR 27 -1.350 35.731 -16.483 474 HD2 TYR 27 HD2 TYR 27 2.418 37.198 -15.036 475 HE1 TYR 27 HE1 TYR 27 -2.360 37.968 -16.124 476 HE2 TYR 27 HE2 TYR 27 1.410 39.434 -14.676 477 HH TYR 27 HH TYR 27 -0.465 40.752 -15.459 478 H ALA 28 HN ALA 28 2.431 36.467 -13.103 479 HA ALA 28 HA ALA 28 1.013 35.336 -10.859 480 1HB ALA 28 1HB ALA 28 1.365 37.636 -9.949 481 2HB ALA 28 2HB ALA 28 1.870 38.165 -11.554 482 3HB ALA 28 3HB ALA 28 2.830 36.976 -10.673 Start of MODEL 2 1 1H ARG 1 1HT ARG 1 -28.685 -18.136 -27.828 2 2H ARG 1 2HT ARG 1 -30.033 -18.004 -26.802 3 3H ARG 1 3HT ARG 1 -28.561 -18.605 -26.202 4 HA ARG 1 HA ARG 1 -28.481 -15.931 -27.373 5 1HB ARG 1 2HB ARG 1 -30.281 -16.838 -25.213 6 2HB ARG 1 1HB ARG 1 -29.300 -15.432 -24.799 7 1HG ARG 1 2HG ARG 1 -30.058 -14.636 -27.227 8 2HG ARG 1 1HG ARG 1 -31.410 -15.719 -26.897 9 1HD ARG 1 2HD ARG 1 -32.260 -14.363 -25.248 10 2HD ARG 1 1HD ARG 1 -30.651 -13.869 -24.689 11 HE ARG 1 HE ARG 1 -30.654 -12.661 -27.074 12 1HH1 ARG 1 1HH1 ARG 1 -31.725 -11.392 -24.426 13 2HH1 ARG 1 2HH1 ARG 1 -33.163 -10.635 -25.024 14 1HH2 ARG 1 1HH2 ARG 1 -33.154 -12.382 -28.019 15 2HH2 ARG 1 2HH2 ARG 1 -33.973 -11.196 -27.059 16 H MET 2 H MET 2 -27.962 -17.940 -24.445 17 HA MET 2 HA MET 2 -25.358 -16.559 -24.004 18 1HB MET 2 2HB MET 2 -27.478 -17.695 -22.407 19 2HB MET 2 1HB MET 2 -25.946 -18.463 -21.986 20 1HG MET 2 2HG MET 2 -26.352 -16.422 -20.634 21 2HG MET 2 1HG MET 2 -24.913 -16.264 -21.641 22 1HE MET 2 1HE MET 2 -24.520 -14.296 -21.626 23 2HE MET 2 2HE MET 2 -25.674 -12.990 -21.369 24 3HE MET 2 3HE MET 2 -25.011 -13.266 -22.978 25 H LYS 3 H LYS 3 -23.436 -17.888 -23.608 26 HA LYS 3 HA LYS 3 -23.601 -20.661 -24.741 27 1HB LYS 3 2HB LYS 3 -21.523 -18.511 -25.278 28 2HB LYS 3 1HB LYS 3 -21.515 -20.138 -25.960 29 1HG LYS 3 2HG LYS 3 -23.836 -18.232 -26.328 30 2HG LYS 3 1HG LYS 3 -22.487 -18.317 -27.461 31 1HD LYS 3 2HD LYS 3 -23.370 -20.143 -28.433 32 2HD LYS 3 1HD LYS 3 -23.407 -20.982 -26.882 33 1HE LYS 3 2HE LYS 3 -25.657 -20.749 -26.781 34 2HE LYS 3 1HE LYS 3 -25.507 -18.990 -26.964 35 1HZ LYS 3 1HZ LYS 3 -25.498 -19.143 -29.266 36 2HZ LYS 3 2HZ LYS 3 -26.668 -20.294 -28.826 37 3HZ LYS 3 3HZ LYS 3 -25.104 -20.793 -29.266 38 H LYS 4 H LYS 4 -20.739 -21.041 -24.468 39 HA LYS 4 HA LYS 4 -20.307 -20.758 -21.521 40 1HB LYS 4 2HB LYS 4 -19.844 -23.306 -23.090 41 2HB LYS 4 1HB LYS 4 -19.874 -23.109 -21.338 42 1HG LYS 4 2HG LYS 4 -22.252 -22.601 -21.384 43 2HG LYS 4 1HG LYS 4 -22.257 -22.626 -23.148 44 1HD LYS 4 2HD LYS 4 -21.110 -25.078 -22.356 45 2HD LYS 4 1HD LYS 4 -22.505 -24.840 -21.303 46 1HE LYS 4 2HE LYS 4 -23.292 -24.059 -23.935 47 2HE LYS 4 1HE LYS 4 -22.507 -25.647 -24.051 48 1HZ LYS 4 1HZ LYS 4 -23.844 -26.390 -22.164 49 2HZ LYS 4 2HZ LYS 4 -24.831 -25.907 -23.461 50 3HZ LYS 4 3HZ LYS 4 -24.633 -24.889 -22.116 51 H LYS 5 H LYS 5 -18.068 -20.719 -20.937 52 HA LYS 5 HA LYS 5 -16.025 -21.031 -23.056 53 1HB LYS 5 2HB LYS 5 -16.868 -18.439 -21.758 54 2HB LYS 5 1HB LYS 5 -15.240 -18.636 -22.409 55 1HG LYS 5 2HG LYS 5 -16.472 -19.495 -24.550 56 2HG LYS 5 1HG LYS 5 -17.871 -18.665 -23.868 57 1HD LYS 5 2HD LYS 5 -16.917 -16.569 -24.095 58 2HD LYS 5 1HD LYS 5 -15.271 -17.191 -23.965 59 1HE LYS 5 2HE LYS 5 -15.107 -17.541 -26.215 60 2HE LYS 5 1HE LYS 5 -16.759 -18.181 -26.322 61 1HZ LYS 5 1HZ LYS 5 -17.584 -15.904 -25.985 62 2HZ LYS 5 2HZ LYS 5 -16.665 -16.045 -27.407 63 3HZ LYS 5 3HZ LYS 5 -15.990 -15.325 -26.024 64 H ASP 6 H ASP 6 -13.798 -20.247 -21.933 65 HA ASP 6 HA ASP 6 -13.470 -20.315 -19.117 66 1HB ASP 6 2HB ASP 6 -14.114 -22.849 -20.431 67 2HB ASP 6 1HB ASP 6 -12.607 -22.937 -19.518 68 H GLU 7 H GLU 7 -11.401 -19.571 -18.860 69 HA GLU 7 HA GLU 7 -9.310 -20.474 -20.812 70 1HB GLU 7 2HB GLU 7 -9.678 -17.678 -19.692 71 2HB GLU 7 1HB GLU 7 -8.556 -18.172 -20.960 72 1HG GLU 7 2HG GLU 7 -10.297 -17.330 -22.245 73 2HG GLU 7 1HG GLU 7 -10.768 -19.027 -22.138 74 H GLY 8 H GLY 8 -7.052 -19.767 -19.872 75 1HA GLY 8 2HA GLY 8 -6.985 -20.687 -17.053 76 2HA GLY 8 1HA GLY 8 -5.602 -20.625 -18.146 77 H SER 9 H SER 9 -4.594 -18.558 -18.535 78 HA SER 9 HA SER 9 -4.511 -16.828 -16.228 79 1HB SER 9 2HB SER 9 -3.494 -15.925 -18.875 80 2HB SER 9 1HB SER 9 -2.671 -15.982 -17.319 81 HG SER 9 HG SER 9 -2.890 -18.389 -17.671 82 H TYR 10 H TYR 10 -4.307 -14.312 -17.758 83 HA TYR 10 HA TYR 10 -7.134 -13.857 -18.608 84 1HB TYR 10 2HB TYR 10 -5.638 -12.089 -16.657 85 2HB TYR 10 1HB TYR 10 -7.359 -12.053 -17.042 86 HD1 TYR 10 HD1 TYR 10 -4.860 -13.383 -14.858 87 HD2 TYR 10 HD2 TYR 10 -8.727 -14.203 -16.539 88 HE1 TYR 10 HE1 TYR 10 -5.300 -15.020 -13.047 89 HE2 TYR 10 HE2 TYR 10 -9.167 -15.840 -14.728 90 HH TYR 10 HH TYR 10 -7.765 -17.275 -13.170 91 H ASP 11 H ASP 11 -7.250 -11.425 -19.411 92 HA ASP 11 HA ASP 11 -5.185 -11.107 -21.445 93 1HB ASP 11 2HB ASP 11 -7.631 -9.499 -20.655 94 2HB ASP 11 1HB ASP 11 -6.680 -9.217 -22.114 95 H LEU 12 H LEU 12 -4.994 -10.453 -18.293 96 HA LEU 12 HA LEU 12 -4.484 -7.812 -17.735 97 1HB LEU 12 2HB LEU 12 -2.793 -10.252 -17.106 98 2HB LEU 12 1HB LEU 12 -2.671 -8.714 -16.250 99 HG LEU 12 HG LEU 12 -5.365 -9.998 -16.513 100 1HD1 LEU 12 1HD1 LEU 12 -4.994 -11.387 -14.573 101 2HD1 LEU 12 2HD1 LEU 12 -3.366 -10.743 -14.359 102 3HD1 LEU 12 3HD1 LEU 12 -3.732 -11.771 -15.746 103 1HD2 LEU 12 1HD2 LEU 12 -5.821 -8.774 -14.530 104 2HD2 LEU 12 2HD2 LEU 12 -4.821 -7.688 -15.495 105 3HD2 LEU 12 3HD2 LEU 12 -4.108 -8.587 -14.154 106 H GLY 13 H GLY 13 -3.034 -6.256 -18.424 107 1HA GLY 13 2HA GLY 13 -1.324 -6.865 -20.716 108 2HA GLY 13 1HA GLY 13 -1.518 -5.283 -19.959 109 H LYS 14 H LYS 14 -0.357 -4.934 -17.888 110 HA LYS 14 HA LYS 14 1.670 -6.803 -17.007 111 1HB LYS 14 2HB LYS 14 2.216 -4.810 -19.123 112 2HB LYS 14 1HB LYS 14 3.418 -4.885 -17.836 113 1HG LYS 14 2HG LYS 14 4.261 -6.782 -18.695 114 2HG LYS 14 1HG LYS 14 2.683 -7.560 -18.570 115 1HD LYS 14 2HD LYS 14 2.019 -6.589 -20.733 116 2HD LYS 14 1HD LYS 14 3.586 -5.789 -20.861 117 1HE LYS 14 2HE LYS 14 3.586 -8.747 -20.396 118 2HE LYS 14 1HE LYS 14 3.173 -8.159 -22.019 119 1HZ LYS 14 1HZ LYS 14 5.666 -7.859 -20.515 120 2HZ LYS 14 2HZ LYS 14 5.187 -6.563 -21.504 121 3HZ LYS 14 3HZ LYS 14 5.431 -8.103 -22.178 122 H LYS 15 H LYS 15 2.453 -3.419 -17.193 123 HA LYS 15 HA LYS 15 1.548 -3.049 -14.359 124 1HB LYS 15 2HB LYS 15 4.192 -2.424 -15.700 125 2HB LYS 15 1HB LYS 15 3.741 -1.763 -14.129 126 1HG LYS 15 2HG LYS 15 3.182 -4.536 -14.014 127 2HG LYS 15 1HG LYS 15 4.780 -4.378 -14.746 128 1HD LYS 15 2HD LYS 15 5.556 -4.128 -12.636 129 2HD LYS 15 1HD LYS 15 4.845 -2.514 -12.695 130 1HE LYS 15 2HE LYS 15 2.932 -3.170 -11.505 131 2HE LYS 15 1HE LYS 15 3.137 -4.881 -11.932 132 1HZ LYS 15 1HZ LYS 15 5.266 -4.820 -10.678 133 2HZ LYS 15 2HZ LYS 15 3.894 -4.599 -9.701 134 3HZ LYS 15 3HZ LYS 15 4.860 -3.268 -10.129 135 HA PRO 16 HA PRO 16 -0.234 0.524 -16.364 136 1HB PRO 16 2HB PRO 16 -1.485 1.505 -14.136 137 2HB PRO 16 1HB PRO 16 -2.121 0.142 -15.079 138 1HG PRO 16 2HG PRO 16 -0.620 0.130 -12.512 139 2HG PRO 16 1HG PRO 16 -1.963 -0.896 -13.042 140 1HD PRO 16 2HD PRO 16 0.654 -1.693 -13.040 141 2HD PRO 16 1HD PRO 16 -0.585 -2.360 -14.128 142 H ILE 17 H ILE 17 1.453 1.965 -16.784 143 HA ILE 17 HA ILE 17 2.968 3.182 -14.560 144 HB ILE 17 HB ILE 17 3.144 3.769 -17.504 145 1HG1 ILE 17 2HG1 ILE 17 5.081 1.865 -16.957 146 2HG1 ILE 17 1HG1 ILE 17 3.674 1.264 -16.080 147 1HG2 ILE 17 1HG2 ILE 17 4.824 4.174 -15.088 148 2HG2 ILE 17 2HG2 ILE 17 4.663 5.181 -16.527 149 3HG2 ILE 17 3HG2 ILE 17 5.671 3.734 -16.572 150 1HD1 ILE 17 1HD1 ILE 17 2.549 0.773 -17.987 151 2HD1 ILE 17 2HD1 ILE 17 4.127 0.877 -18.767 152 3HD1 ILE 17 3HD1 ILE 17 3.048 2.272 -18.771 153 H TYR 18 H TYR 18 3.390 5.703 -15.059 154 HA TYR 18 HA TYR 18 0.988 7.134 -15.990 155 1HB TYR 18 2HB TYR 18 1.024 6.202 -13.415 156 2HB TYR 18 1HB TYR 18 1.727 7.805 -13.205 157 HD1 TYR 18 HD1 TYR 18 -1.017 6.271 -15.267 158 HD2 TYR 18 HD2 TYR 18 0.205 9.480 -12.687 159 HE1 TYR 18 HE1 TYR 18 -3.269 7.289 -15.466 160 HE2 TYR 18 HE2 TYR 18 -2.048 10.498 -12.885 161 HH TYR 18 HH TYR 18 -4.618 9.141 -13.621 162 H LYS 19 H LYS 19 3.201 7.594 -17.267 163 HA LYS 19 HA LYS 19 4.337 10.099 -16.080 164 1HB LYS 19 2HB LYS 19 5.614 7.606 -16.406 165 2HB LYS 19 1HB LYS 19 6.233 8.624 -17.707 166 1HG LYS 19 2HG LYS 19 7.688 9.195 -15.987 167 2HG LYS 19 1HG LYS 19 6.437 10.421 -15.776 168 1HD LYS 19 2HD LYS 19 5.422 9.222 -13.982 169 2HD LYS 19 1HD LYS 19 6.349 7.763 -14.337 170 1HE LYS 19 2HE LYS 19 7.441 8.764 -12.450 171 2HE LYS 19 1HE LYS 19 8.449 9.198 -13.846 172 1HZ LYS 19 1HZ LYS 19 6.308 10.856 -12.621 173 2HZ LYS 19 2HZ LYS 19 7.120 11.248 -14.061 174 3HZ LYS 19 3HZ LYS 19 7.973 11.178 -12.593 175 H LYS 20 H LYS 20 4.829 11.711 -17.640 176 HA LYS 20 HA LYS 20 4.984 11.367 -20.447 177 1HB LYS 20 2HB LYS 20 2.759 10.534 -20.436 178 2HB LYS 20 1HB LYS 20 2.232 11.737 -19.259 179 1HG LYS 20 2HG LYS 20 1.869 13.310 -20.854 180 2HG LYS 20 1HG LYS 20 3.345 12.894 -21.726 181 1HD LYS 20 2HD LYS 20 1.179 10.867 -21.808 182 2HD LYS 20 1HD LYS 20 0.869 12.365 -22.686 183 1HE LYS 20 2HE LYS 20 3.383 10.688 -23.015 184 2HE LYS 20 1HE LYS 20 1.996 10.653 -24.122 185 1HZ LYS 20 1HZ LYS 20 3.944 12.776 -23.660 186 2HZ LYS 20 2HZ LYS 20 2.335 13.260 -23.915 187 3HZ LYS 20 3HZ LYS 20 3.145 12.336 -25.088 188 H ALA 21 H ALA 21 6.486 13.101 -20.188 189 HA ALA 21 HA ALA 21 5.253 15.790 -20.085 190 1HB ALA 21 1HB ALA 21 5.700 15.193 -17.739 191 2HB ALA 21 2HB ALA 21 6.798 16.473 -18.257 192 3HB ALA 21 3HB ALA 21 7.373 14.809 -18.145 193 HA PRO 22 HA PRO 22 8.572 15.753 -23.142 194 1HB PRO 22 2HB PRO 22 7.640 17.929 -24.516 195 2HB PRO 22 1HB PRO 22 6.990 16.294 -24.742 196 1HG PRO 22 2HG PRO 22 5.888 18.568 -23.174 197 2HG PRO 22 1HG PRO 22 5.046 17.361 -24.156 198 1HD PRO 22 2HD PRO 22 5.180 17.273 -21.428 199 2HD PRO 22 1HD PRO 22 4.977 15.836 -22.455 200 H THR 23 H THR 23 10.477 16.946 -23.144 201 HA THR 23 HA THR 23 12.078 18.322 -22.032 202 HB THR 23 HB THR 23 10.929 19.378 -24.146 203 HG1 THR 23 HG1 THR 23 12.165 21.369 -23.612 204 1HG2 THR 23 1HG2 THR 23 10.306 21.753 -22.573 205 2HG2 THR 23 2HG2 THR 23 9.239 20.409 -22.181 206 3HG2 THR 23 3HG2 THR 23 9.366 20.975 -23.844 207 H ASN 24 H ASN 24 11.484 21.040 -21.080 208 HA ASN 24 HA ASN 24 9.515 21.033 -18.994 209 1HB ASN 24 2HB ASN 24 11.860 19.446 -18.578 210 2HB ASN 24 1HB ASN 24 11.928 20.818 -17.471 211 1HD2 ASN 24 1HD2 ASN 24 10.316 20.952 -15.791 212 2HD2 ASN 24 2HD2 ASN 24 9.220 19.693 -15.482 213 H GLU 25 H GLU 25 9.775 22.941 -17.570 214 HA GLU 25 HA GLU 25 11.996 24.784 -17.934 215 1HB GLU 25 2HB GLU 25 10.715 26.458 -19.227 216 2HB GLU 25 1HB GLU 25 10.840 24.942 -20.120 217 1HG GLU 25 2HG GLU 25 8.591 24.954 -20.279 218 2HG GLU 25 1HG GLU 25 8.540 24.652 -18.542 219 H PHE 26 H PHE 26 11.697 24.591 -15.558 220 HA PHE 26 HA PHE 26 10.224 26.774 -14.423 221 1HB PHE 26 2HB PHE 26 8.666 24.567 -15.140 222 2HB PHE 26 1HB PHE 26 8.901 24.379 -13.402 223 HD1 PHE 26 HD1 PHE 26 8.736 27.517 -15.421 224 HD2 PHE 26 HD2 PHE 26 6.841 25.051 -12.457 225 HE1 PHE 26 HE1 PHE 26 7.068 29.304 -15.001 226 HE2 PHE 26 HE2 PHE 26 5.173 26.837 -12.038 227 HZ PHE 26 HZ PHE 26 5.286 28.963 -13.310 228 H TYR 27 H TYR 27 11.240 27.193 -12.493 229 HA TYR 27 HA TYR 27 12.500 24.893 -11.034 230 1HB TYR 27 2HB TYR 27 13.586 27.696 -11.462 231 2HB TYR 27 1HB TYR 27 14.413 26.378 -10.632 232 HD1 TYR 27 HD1 TYR 27 14.487 24.098 -12.065 233 HD2 TYR 27 HD2 TYR 27 14.137 28.056 -13.694 234 HE1 TYR 27 HE1 TYR 27 15.372 23.283 -14.235 235 HE2 TYR 27 HE2 TYR 27 15.020 27.243 -15.864 236 HH TYR 27 HH TYR 27 15.159 24.068 -16.715 237 H ALA 28 HN ALA 28 12.094 28.406 -10.461 238 HA ALA 28 HA ALA 28 11.340 29.527 -8.512 239 1HB ALA 28 1HB ALA 28 9.191 27.911 -7.769 240 2HB ALA 28 2HB ALA 28 9.418 27.546 -9.479 241 3HB ALA 28 3HB ALA 28 9.140 29.209 -8.962 242 1H ARG 1 1HT ARG 1 18.929 -27.217 -3.517 243 2H ARG 1 2HT ARG 1 20.177 -27.792 -4.514 244 3H ARG 1 3HT ARG 1 18.573 -27.782 -5.076 245 HA ARG 1 HA ARG 1 19.666 -25.205 -4.240 246 1HB ARG 1 2HB ARG 1 20.853 -27.044 -6.224 247 2HB ARG 1 1HB ARG 1 20.550 -25.417 -6.832 248 1HG ARG 1 2HG ARG 1 21.637 -24.729 -4.499 249 2HG ARG 1 1HG ARG 1 22.395 -26.315 -4.659 250 1HD ARG 1 2HD ARG 1 23.695 -25.658 -6.436 251 2HD ARG 1 1HD ARG 1 22.431 -24.599 -7.094 252 HE ARG 1 HE ARG 1 23.011 -23.227 -4.874 253 1HH1 ARG 1 1HH1 ARG 1 24.447 -22.862 -7.626 254 2HH1 ARG 1 2HH1 ARG 1 26.085 -22.720 -7.086 255 1HH2 ARG 1 1HH2 ARG 1 25.418 -23.922 -3.902 256 2HH2 ARG 1 2HH2 ARG 1 26.636 -23.320 -4.977 257 H MET 2 H MET 2 18.266 -27.144 -6.916 258 HA MET 2 HA MET 2 16.481 -24.854 -7.591 259 1HB MET 2 2HB MET 2 17.875 -26.967 -8.980 260 2HB MET 2 1HB MET 2 16.152 -27.057 -9.346 261 1HG MET 2 2HG MET 2 17.347 -25.561 -10.925 262 2HG MET 2 1HG MET 2 16.138 -24.687 -9.983 263 1HE MET 2 1HE MET 2 16.616 -22.755 -10.248 264 2HE MET 2 2HE MET 2 18.208 -22.103 -10.630 265 3HE MET 2 3HE MET 2 17.535 -21.876 -9.018 266 H LYS 3 H LYS 3 14.166 -25.281 -7.876 267 HA LYS 3 HA LYS 3 13.172 -27.701 -6.411 268 1HB LYS 3 2HB LYS 3 12.217 -24.826 -6.194 269 2HB LYS 3 1HB LYS 3 11.538 -26.201 -5.321 270 1HG LYS 3 2HG LYS 3 14.456 -25.429 -5.124 271 2HG LYS 3 1HG LYS 3 13.230 -24.797 -4.025 272 1HD LYS 3 2HD LYS 3 13.283 -26.691 -2.815 273 2HD LYS 3 1HD LYS 3 12.919 -27.649 -4.252 274 1HE LYS 3 2HE LYS 3 15.050 -28.406 -4.321 275 2HE LYS 3 1HE LYS 3 15.666 -26.741 -4.356 276 1HZ LYS 3 1HZ LYS 3 15.655 -26.596 -2.053 277 2HZ LYS 3 2HZ LYS 3 16.215 -28.178 -2.318 278 3HZ LYS 3 3HZ LYS 3 14.599 -27.910 -1.864 279 H LYS 4 H LYS 4 10.413 -26.864 -6.713 280 HA LYS 4 HA LYS 4 10.060 -26.783 -9.683 281 1HB LYS 4 2HB LYS 4 8.605 -28.686 -7.830 282 2HB LYS 4 1HB LYS 4 8.668 -28.733 -9.592 283 1HG LYS 4 2HG LYS 4 11.037 -29.279 -9.543 284 2HG LYS 4 1HG LYS 4 11.079 -29.090 -7.790 285 1HD LYS 4 2HD LYS 4 8.981 -30.900 -8.309 286 2HD LYS 4 1HD LYS 4 10.316 -31.406 -9.346 287 1HE LYS 4 2HE LYS 4 11.431 -30.719 -6.806 288 2HE LYS 4 1HE LYS 4 10.050 -31.797 -6.521 289 1HZ LYS 4 1HZ LYS 4 10.896 -33.260 -8.267 290 2HZ LYS 4 2HZ LYS 4 12.028 -33.088 -7.011 291 3HZ LYS 4 3HZ LYS 4 12.243 -32.252 -8.475 292 H LYS 5 H LYS 5 8.036 -25.870 -10.328 293 HA LYS 5 HA LYS 5 6.111 -25.028 -8.242 294 1HB LYS 5 2HB LYS 5 7.937 -23.216 -9.822 295 2HB LYS 5 1HB LYS 5 6.397 -22.624 -9.196 296 1HG LYS 5 2HG LYS 5 7.206 -23.657 -6.935 297 2HG LYS 5 1HG LYS 5 8.806 -23.589 -7.674 298 1HD LYS 5 2HD LYS 5 8.837 -21.276 -7.728 299 2HD LYS 5 1HD LYS 5 7.080 -21.151 -7.826 300 1HE LYS 5 2HE LYS 5 6.843 -21.124 -5.556 301 2HE LYS 5 1HE LYS 5 8.072 -22.385 -5.327 302 1HZ LYS 5 1HZ LYS 5 9.774 -20.732 -5.914 303 2HZ LYS 5 2HZ LYS 5 8.920 -20.297 -4.512 304 3HZ LYS 5 3HZ LYS 5 8.577 -19.532 -5.989 305 H ASP 6 H ASP 6 4.397 -23.517 -9.511 306 HA ASP 6 HA ASP 6 3.993 -23.780 -12.307 307 1HB ASP 6 2HB ASP 6 3.539 -26.168 -10.679 308 2HB ASP 6 1HB ASP 6 2.112 -25.720 -11.614 309 H GLU 7 H GLU 7 2.428 -22.266 -12.708 310 HA GLU 7 HA GLU 7 0.207 -21.954 -10.718 311 1HB GLU 7 2HB GLU 7 1.693 -19.736 -12.158 312 2HB GLU 7 1HB GLU 7 0.503 -19.551 -10.871 313 1HG GLU 7 2HG GLU 7 2.470 -19.377 -9.650 314 2HG GLU 7 1HG GLU 7 2.175 -21.113 -9.539 315 H GLY 8 H GLY 8 -1.564 -20.476 -11.798 316 1HA GLY 8 2HA GLY 8 -2.091 -21.616 -14.485 317 2HA GLY 8 1HA GLY 8 -3.287 -20.842 -13.447 318 H SER 9 H SER 9 -3.313 -18.512 -13.337 319 HA SER 9 HA SER 9 -2.718 -17.203 -15.838 320 1HB SER 9 2HB SER 9 -3.184 -15.642 -13.348 321 2HB SER 9 1HB SER 9 -3.996 -15.532 -14.907 322 HG SER 9 HG SER 9 -4.808 -17.743 -14.261 323 H TYR 10 H TYR 10 -1.796 -14.673 -14.631 324 HA TYR 10 HA TYR 10 0.980 -15.360 -13.765 325 1HB TYR 10 2HB TYR 10 0.323 -13.375 -15.956 326 2HB TYR 10 1HB TYR 10 1.907 -14.026 -15.532 327 HD1 TYR 10 HD1 TYR 10 -0.979 -14.425 -17.606 328 HD2 TYR 10 HD2 TYR 10 2.220 -16.596 -15.734 329 HE1 TYR 10 HE1 TYR 10 -1.322 -16.300 -19.193 330 HE2 TYR 10 HE2 TYR 10 1.876 -18.470 -17.320 331 HH TYR 10 HH TYR 10 -0.044 -19.354 -18.731 332 H ASP 11 H ASP 11 2.138 -13.129 -13.260 333 HA ASP 11 HA ASP 11 0.458 -11.722 -11.337 334 1HB ASP 11 2HB ASP 11 3.332 -11.411 -12.249 335 2HB ASP 11 1HB ASP 11 2.630 -10.577 -10.862 336 H LEU 12 H LEU 12 0.476 -11.435 -14.549 337 HA LEU 12 HA LEU 12 1.118 -8.917 -15.436 338 1HB LEU 12 2HB LEU 12 -1.463 -10.466 -15.810 339 2HB LEU 12 1HB LEU 12 -0.945 -9.138 -16.849 340 HG LEU 12 HG LEU 12 0.957 -11.400 -16.360 341 1HD1 LEU 12 1HD1 LEU 12 -0.021 -12.725 -18.125 342 2HD1 LEU 12 2HD1 LEU 12 -1.227 -11.483 -18.460 343 3HD1 LEU 12 3HD1 LEU 12 -1.292 -12.392 -16.950 344 1HD2 LEU 12 1HD2 LEU 12 1.835 -10.735 -18.463 345 2HD2 LEU 12 2HD2 LEU 12 1.416 -9.219 -17.665 346 3HD2 LEU 12 3HD2 LEU 12 0.354 -9.886 -18.905 347 H GLY 13 H GLY 13 0.484 -6.822 -14.980 348 1HA GLY 13 2HA GLY 13 -1.260 -6.366 -12.679 349 2HA GLY 13 1HA GLY 13 -0.435 -5.119 -13.615 350 H LYS 14 H LYS 14 -1.394 -4.566 -15.745 351 HA LYS 14 HA LYS 14 -4.045 -5.492 -16.447 352 1HB LYS 14 2HB LYS 14 -3.637 -3.215 -14.603 353 2HB LYS 14 1HB LYS 14 -4.792 -2.928 -15.904 354 1HG LYS 14 2HG LYS 14 -6.336 -4.169 -14.843 355 2HG LYS 14 1HG LYS 14 -5.241 -5.553 -14.832 356 1HD LYS 14 2HD LYS 14 -4.168 -4.700 -12.785 357 2HD LYS 14 1HD LYS 14 -5.246 -3.303 -12.798 358 1HE LYS 14 2HE LYS 14 -6.512 -6.014 -12.900 359 2HE LYS 14 1HE LYS 14 -5.845 -5.464 -11.350 360 1HZ LYS 14 1HZ LYS 14 -8.015 -4.322 -12.945 361 2HZ LYS 14 2HZ LYS 14 -7.006 -3.240 -12.109 362 3HZ LYS 14 3HZ LYS 14 -7.860 -4.438 -11.260 363 H LYS 15 H LYS 15 -3.315 -2.100 -16.694 364 HA LYS 15 HA LYS 15 -2.416 -2.494 -19.526 365 1HB LYS 15 2HB LYS 15 -4.508 -0.650 -18.342 366 2HB LYS 15 1HB LYS 15 -3.862 -0.437 -19.969 367 1HG LYS 15 2HG LYS 15 -4.534 -3.178 -19.732 368 2HG LYS 15 1HG LYS 15 -5.894 -2.270 -19.068 369 1HD LYS 15 2HD LYS 15 -6.548 -1.972 -21.213 370 2HD LYS 15 1HD LYS 15 -5.219 -0.818 -21.331 371 1HE LYS 15 2HE LYS 15 -3.797 -2.363 -22.381 372 2HE LYS 15 1HE LYS 15 -4.696 -3.759 -21.754 373 1HZ LYS 15 1HZ LYS 15 -6.631 -2.953 -23.064 374 2HZ LYS 15 2HZ LYS 15 -5.322 -3.455 -24.024 375 3HZ LYS 15 3HZ LYS 15 -5.620 -1.799 -23.786 376 HA PRO 16 HA PRO 16 0.767 0.201 -17.921 377 1HB PRO 16 2HB PRO 16 2.255 0.282 -20.216 378 2HB PRO 16 1HB PRO 16 2.279 -1.096 -19.098 379 1HG PRO 16 2HG PRO 16 0.845 -0.783 -21.684 380 2HG PRO 16 1HG PRO 16 1.640 -2.208 -20.998 381 1HD PRO 16 2HD PRO 16 -1.066 -1.816 -20.974 382 2HD PRO 16 1HD PRO 16 -0.198 -2.807 -19.781 383 H ILE 17 H ILE 17 -0.140 2.260 -17.724 384 HA ILE 17 HA ILE 17 -1.054 3.726 -20.119 385 HB ILE 17 HB ILE 17 -0.885 4.683 -17.273 386 1HG1 ILE 17 2HG1 ILE 17 -3.461 3.729 -17.638 387 2HG1 ILE 17 1HG1 ILE 17 -2.466 2.487 -18.398 388 1HG2 ILE 17 1HG2 ILE 17 -2.301 5.467 -19.765 389 2HG2 ILE 17 2HG2 ILE 17 -1.689 6.477 -18.456 390 3HG2 ILE 17 3HG2 ILE 17 -3.213 5.610 -18.263 391 1HD1 ILE 17 1HD1 ILE 17 -1.604 1.800 -16.415 392 2HD1 ILE 17 2HD1 ILE 17 -2.967 2.658 -15.697 393 3HD1 ILE 17 3HD1 ILE 17 -1.399 3.452 -15.832 394 H TYR 18 H TYR 18 -0.355 6.228 -19.941 395 HA TYR 18 HA TYR 18 2.452 6.607 -19.125 396 1HB TYR 18 2HB TYR 18 1.954 5.474 -21.569 397 2HB TYR 18 1HB TYR 18 1.990 7.187 -21.990 398 HD1 TYR 18 HD1 TYR 18 3.881 4.895 -19.684 399 HD2 TYR 18 HD2 TYR 18 4.065 7.982 -22.666 400 HE1 TYR 18 HE1 TYR 18 6.357 4.879 -19.549 401 HE2 TYR 18 HE2 TYR 18 6.541 7.964 -22.531 402 HH TYR 18 HH TYR 18 8.313 5.746 -21.567 403 H LYS 19 H LYS 19 0.676 8.113 -17.973 404 HA LYS 19 HA LYS 19 0.677 10.698 -19.486 405 1HB LYS 19 2HB LYS 19 -1.525 9.041 -18.894 406 2HB LYS 19 1HB LYS 19 -1.620 10.376 -17.744 407 1HG LYS 19 2HG LYS 19 -2.742 11.296 -19.559 408 2HG LYS 19 1HG LYS 19 -1.096 11.841 -19.883 409 1HD LYS 19 2HD LYS 19 -0.733 10.117 -21.491 410 2HD LYS 19 1HD LYS 19 -2.181 9.244 -20.987 411 1HE LYS 19 2HE LYS 19 -2.796 10.376 -23.010 412 2HE LYS 19 1HE LYS 19 -3.487 11.362 -21.704 413 1HZ LYS 19 1HZ LYS 19 -0.880 11.794 -23.063 414 2HZ LYS 19 2HZ LYS 19 -1.410 12.664 -21.703 415 3HZ LYS 19 3HZ LYS 19 -2.251 12.786 -23.175 416 H LYS 20 H LYS 20 0.958 12.543 -18.146 417 HA LYS 20 HA LYS 20 0.748 12.641 -15.324 418 1HB LYS 20 2HB LYS 20 2.408 10.949 -15.174 419 2HB LYS 20 1HB LYS 20 3.364 11.662 -16.473 420 1HG LYS 20 2HG LYS 20 4.402 13.113 -15.071 421 2HG LYS 20 1HG LYS 20 2.913 13.471 -14.196 422 1HD LYS 20 2HD LYS 20 4.017 10.744 -13.811 423 2HD LYS 20 1HD LYS 20 4.956 12.063 -13.111 424 1HE LYS 20 2HE LYS 20 1.979 11.664 -12.650 425 2HE LYS 20 1HE LYS 20 3.249 11.178 -11.509 426 1HZ LYS 20 1HZ LYS 20 2.373 13.854 -12.278 427 2HZ LYS 20 2HZ LYS 20 4.041 13.637 -12.040 428 3HZ LYS 20 3HZ LYS 20 2.949 13.292 -10.785 429 H ALA 21 H ALA 21 0.115 14.802 -15.832 430 HA ALA 21 HA ALA 21 2.368 16.681 -16.225 431 1HB ALA 21 1HB ALA 21 1.647 16.050 -18.493 432 2HB ALA 21 2HB ALA 21 1.209 17.727 -18.164 433 3HB ALA 21 3HB ALA 21 -0.019 16.464 -18.089 434 HA PRO 22 HA PRO 22 -0.569 18.424 -13.278 435 1HB PRO 22 2HB PRO 22 1.233 20.150 -12.153 436 2HB PRO 22 1HB PRO 22 1.135 18.433 -11.712 437 1HG PRO 22 2HG PRO 22 3.054 19.818 -13.514 438 2HG PRO 22 1HG PRO 22 3.332 18.495 -12.370 439 1HD PRO 22 2HD PRO 22 3.099 18.143 -15.071 440 2HD PRO 22 1HD PRO 22 2.702 16.892 -13.873 441 H THR 23 H THR 23 -1.789 20.302 -13.472 442 HA THR 23 HA THR 23 -2.686 22.082 -14.785 443 HB THR 23 HB THR 23 -1.141 22.797 -12.784 444 HG1 THR 23 HG1 THR 23 -1.430 25.045 -13.589 445 1HG2 THR 23 1HG2 THR 23 0.387 24.476 -14.616 446 2HG2 THR 23 2HG2 THR 23 0.774 22.769 -14.812 447 3HG2 THR 23 3HG2 THR 23 0.943 23.533 -13.234 448 H ASN 24 H ASN 24 -1.022 24.154 -16.042 449 HA ASN 24 HA ASN 24 0.702 23.060 -18.059 450 1HB ASN 24 2HB ASN 24 -2.106 22.580 -18.344 451 2HB ASN 24 1HB ASN 24 -1.614 23.706 -19.610 452 1HD2 ASN 24 1HD2 ASN 24 -0.145 22.940 -21.249 453 2HD2 ASN 24 2HD2 ASN 24 0.306 21.308 -21.373 454 H GLU 25 H GLU 25 1.236 24.712 -19.710 455 HA GLU 25 HA GLU 25 0.016 27.350 -19.632 456 1HB GLU 25 2HB GLU 25 1.920 28.466 -18.517 457 2HB GLU 25 1HB GLU 25 1.189 27.267 -17.451 458 1HG GLU 25 2HG GLU 25 3.234 26.346 -17.233 459 2HG GLU 25 1HG GLU 25 3.106 25.842 -18.920 460 H PHE 26 H PHE 26 0.142 26.763 -21.959 461 HA PHE 26 HA PHE 26 2.368 27.961 -23.308 462 1HB PHE 26 2HB PHE 26 2.863 25.406 -22.288 463 2HB PHE 26 1HB PHE 26 2.524 25.126 -23.996 464 HD1 PHE 26 HD1 PHE 26 4.058 28.118 -22.369 465 HD2 PHE 26 HD2 PHE 26 4.648 24.742 -24.959 466 HE1 PHE 26 HE1 PHE 26 6.314 28.964 -22.957 467 HE2 PHE 26 HE2 PHE 26 6.904 25.588 -25.546 468 HZ PHE 26 HZ PHE 26 7.737 27.699 -24.546 469 H TYR 27 H TYR 27 1.574 28.534 -25.301 470 HA TYR 27 HA TYR 27 -0.580 26.827 -26.505 471 1HB TYR 27 2HB TYR 27 -0.365 29.855 -26.450 472 2HB TYR 27 1HB TYR 27 -1.695 28.922 -27.136 473 HD1 TYR 27 HD1 TYR 27 -2.690 27.079 -25.439 474 HD2 TYR 27 HD2 TYR 27 -0.650 30.681 -24.293 475 HE1 TYR 27 HE1 TYR 27 -3.776 26.986 -23.213 476 HE2 TYR 27 HE2 TYR 27 -1.736 30.588 -22.066 477 HH TYR 27 HH TYR 27 -3.183 27.901 -20.839 478 H ALA 28 HN ALA 28 1.261 29.738 -27.489 479 HA ALA 28 HA ALA 28 2.365 30.190 -29.537 480 1HB ALA 28 1HB ALA 28 3.606 27.738 -30.021 481 2HB ALA 28 2HB ALA 28 3.292 27.714 -28.286 482 3HB ALA 28 3HB ALA 28 4.235 29.026 -28.994 Start of MODEL 3 1 1H ARG 1 1HT ARG 1 -21.511 -9.164 -34.333 2 2H ARG 1 2HT ARG 1 -21.700 -7.838 -35.378 3 3H ARG 1 3HT ARG 1 -21.649 -7.598 -33.697 4 HA ARG 1 HA ARG 1 -19.424 -8.338 -35.510 5 1HB ARG 1 2HB ARG 1 -20.165 -6.126 -33.588 6 2HB ARG 1 1HB ARG 1 -18.508 -6.335 -34.155 7 1HG ARG 1 2HG ARG 1 -20.468 -6.449 -36.328 8 2HG ARG 1 1HG ARG 1 -20.487 -4.906 -35.471 9 1HD ARG 1 2HD ARG 1 -17.754 -5.562 -35.780 10 2HD ARG 1 1HD ARG 1 -18.519 -5.890 -37.348 11 HE ARG 1 HE ARG 1 -18.295 -3.264 -36.077 12 1HH1 ARG 1 1HH2 ARG 1 -18.964 -4.924 -38.894 13 2HH1 ARG 1 2HH2 ARG 1 -20.115 -3.788 -39.512 14 1HH2 ARG 1 1HH1 ARG 1 -20.257 -1.938 -36.582 15 2HH2 ARG 1 2HH1 ARG 1 -20.847 -2.096 -38.203 16 H MET 2 H MET 2 -20.623 -8.404 -32.172 17 HA MET 2 HA MET 2 -18.081 -9.531 -31.165 18 1HB MET 2 2HB MET 2 -20.123 -7.946 -30.159 19 2HB MET 2 1HB MET 2 -20.435 -9.513 -29.412 20 1HG MET 2 2HG MET 2 -17.679 -9.244 -29.205 21 2HG MET 2 1HG MET 2 -18.273 -7.612 -28.900 22 1HE MET 2 1HE MET 2 -19.461 -7.566 -25.496 23 2HE MET 2 2HE MET 2 -20.014 -6.973 -27.060 24 3HE MET 2 3HE MET 2 -18.294 -6.954 -26.676 25 H LYS 3 H LYS 3 -17.844 -11.695 -30.512 26 HA LYS 3 HA LYS 3 -20.171 -13.518 -31.034 27 1HB LYS 3 2HB LYS 3 -17.620 -13.284 -32.325 28 2HB LYS 3 1HB LYS 3 -17.676 -14.832 -31.481 29 1HG LYS 3 2HG LYS 3 -19.961 -13.885 -33.215 30 2HG LYS 3 1HG LYS 3 -18.601 -14.792 -33.882 31 1HD LYS 3 2HD LYS 3 -19.039 -16.554 -32.114 32 2HD LYS 3 1HD LYS 3 -20.532 -15.694 -31.731 33 1HE LYS 3 2HE LYS 3 -20.525 -15.956 -34.542 34 2HE LYS 3 1HE LYS 3 -20.026 -17.536 -33.906 35 1HZ LYS 3 1HZ LYS 3 -22.397 -17.465 -33.872 36 2HZ LYS 3 2HZ LYS 3 -22.407 -15.948 -33.107 37 3HZ LYS 3 3HZ LYS 3 -21.867 -17.324 -32.267 38 H LYS 4 H LYS 4 -19.330 -15.847 -30.083 39 HA LYS 4 HA LYS 4 -18.506 -15.275 -27.256 40 1HB LYS 4 2HB LYS 4 -20.840 -16.140 -27.833 41 2HB LYS 4 1HB LYS 4 -20.059 -17.640 -28.338 42 1HG LYS 4 2HG LYS 4 -18.921 -17.560 -25.993 43 2HG LYS 4 1HG LYS 4 -20.216 -16.434 -25.585 44 1HD LYS 4 2HD LYS 4 -21.904 -18.084 -26.198 45 2HD LYS 4 1HD LYS 4 -20.653 -19.201 -26.743 46 1HE LYS 4 2HE LYS 4 -20.061 -19.797 -24.597 47 2HE LYS 4 1HE LYS 4 -20.414 -18.184 -23.945 48 1HZ LYS 4 1HZ LYS 4 -22.659 -19.636 -25.092 49 2HZ LYS 4 2HZ LYS 4 -22.600 -18.644 -23.716 50 3HZ LYS 4 3HZ LYS 4 -22.056 -20.251 -23.632 51 H LYS 5 H LYS 5 -16.778 -16.450 -26.412 52 HA LYS 5 HA LYS 5 -15.652 -18.686 -28.042 53 1HB LYS 5 2HB LYS 5 -14.687 -16.031 -27.935 54 2HB LYS 5 1HB LYS 5 -13.580 -16.986 -26.947 55 1HG LYS 5 2HG LYS 5 -12.631 -17.331 -29.027 56 2HG LYS 5 1HG LYS 5 -13.775 -18.674 -29.000 57 1HD LYS 5 2HD LYS 5 -15.439 -16.934 -30.031 58 2HD LYS 5 1HD LYS 5 -13.972 -16.056 -30.464 59 1HE LYS 5 2HE LYS 5 -13.346 -18.636 -31.229 60 2HE LYS 5 1HE LYS 5 -15.070 -18.520 -31.630 61 1HZ LYS 5 1HZ LYS 5 -13.350 -17.603 -33.303 62 2HZ LYS 5 2HZ LYS 5 -13.249 -16.284 -32.236 63 3HZ LYS 5 3HZ LYS 5 -14.732 -16.681 -32.964 64 H ASP 6 H ASP 6 -14.025 -19.945 -26.743 65 HA ASP 6 HA ASP 6 -14.728 -19.883 -23.830 66 1HB ASP 6 2HB ASP 6 -14.737 -21.886 -25.846 67 2HB ASP 6 1HB ASP 6 -13.437 -22.298 -24.727 68 H GLU 7 H GLU 7 -12.819 -18.055 -24.340 69 HA GLU 7 HA GLU 7 -10.414 -19.219 -23.098 70 1HB GLU 7 2HB GLU 7 -10.382 -19.522 -25.672 71 2HB GLU 7 1HB GLU 7 -10.142 -17.775 -25.738 72 1HG GLU 7 2HG GLU 7 -7.986 -19.014 -25.764 73 2HG GLU 7 1HG GLU 7 -8.134 -17.970 -24.349 74 H GLY 8 H GLY 8 -10.070 -17.726 -21.497 75 1HA GLY 8 2HA GLY 8 -9.511 -14.962 -22.131 76 2HA GLY 8 1HA GLY 8 -11.082 -15.122 -21.343 77 H SER 9 H SER 9 -7.614 -15.596 -20.921 78 HA SER 9 HA SER 9 -7.796 -15.049 -18.088 79 1HB SER 9 2HB SER 9 -6.754 -17.514 -17.747 80 2HB SER 9 1HB SER 9 -8.487 -17.204 -17.661 81 HG SER 9 HG SER 9 -8.756 -18.096 -19.585 82 H TYR 10 H TYR 10 -5.664 -14.844 -17.140 83 HA TYR 10 HA TYR 10 -3.321 -14.501 -17.181 84 1HB TYR 10 2HB TYR 10 -3.838 -16.849 -18.499 85 2HB TYR 10 1HB TYR 10 -2.992 -15.933 -19.746 86 HD1 TYR 10 HD1 TYR 10 -2.510 -18.147 -17.101 87 HD2 TYR 10 HD2 TYR 10 -0.894 -14.523 -18.743 88 HE1 TYR 10 HE1 TYR 10 -0.349 -18.599 -15.971 89 HE2 TYR 10 HE2 TYR 10 1.268 -14.973 -17.613 90 HH TYR 10 HH TYR 10 2.393 -17.465 -16.731 91 H ASP 11 H ASP 11 -5.475 -13.192 -19.232 92 HA ASP 11 HA ASP 11 -3.860 -12.125 -21.357 93 1HB ASP 11 2HB ASP 11 -6.554 -11.771 -20.166 94 2HB ASP 11 1HB ASP 11 -5.941 -10.395 -21.083 95 H LEU 12 H LEU 12 -5.521 -9.840 -19.288 96 HA LEU 12 HA LEU 12 -4.716 -7.801 -18.379 97 1HB LEU 12 2HB LEU 12 -3.033 -10.085 -17.408 98 2HB LEU 12 1HB LEU 12 -2.589 -8.448 -16.924 99 HG LEU 12 HG LEU 12 -5.280 -9.780 -16.500 100 1HD1 LEU 12 1HD1 LEU 12 -3.121 -8.858 -14.578 101 2HD1 LEU 12 2HD1 LEU 12 -3.541 -10.532 -14.939 102 3HD1 LEU 12 3HD1 LEU 12 -4.695 -9.495 -14.102 103 1HD2 LEU 12 1HD2 LEU 12 -5.794 -7.509 -16.873 104 2HD2 LEU 12 2HD2 LEU 12 -4.299 -6.953 -16.118 105 3HD2 LEU 12 3HD2 LEU 12 -5.605 -7.595 -15.122 106 H GLY 13 H GLY 13 -2.238 -6.760 -17.950 107 1HA GLY 13 2HA GLY 13 -0.827 -6.962 -20.578 108 2HA GLY 13 1HA GLY 13 -1.217 -5.389 -19.883 109 H LYS 14 H LYS 14 -0.243 -4.900 -17.733 110 HA LYS 14 HA LYS 14 1.908 -6.536 -16.698 111 1HB LYS 14 2HB LYS 14 2.380 -4.477 -18.784 112 2HB LYS 14 1HB LYS 14 3.521 -4.490 -17.437 113 1HG LYS 14 2HG LYS 14 3.095 -7.198 -18.177 114 2HG LYS 14 1HG LYS 14 3.369 -6.297 -19.669 115 1HD LYS 14 2HD LYS 14 5.327 -5.193 -18.284 116 2HD LYS 14 1HD LYS 14 5.193 -6.661 -17.316 117 1HE LYS 14 2HE LYS 14 5.225 -7.867 -19.669 118 2HE LYS 14 1HE LYS 14 6.014 -6.364 -20.190 119 1HZ LYS 14 1HZ LYS 14 6.818 -7.940 -17.804 120 2HZ LYS 14 2HZ LYS 14 7.608 -6.574 -18.432 121 3HZ LYS 14 3HZ LYS 14 7.597 -8.030 -19.307 122 H LYS 15 H LYS 15 2.402 -3.105 -16.860 123 HA LYS 15 HA LYS 15 1.145 -2.748 -14.170 124 1HB LYS 15 2HB LYS 15 3.976 -2.253 -15.092 125 2HB LYS 15 1HB LYS 15 3.312 -1.388 -13.705 126 1HG LYS 15 2HG LYS 15 2.713 -4.228 -13.554 127 2HG LYS 15 1HG LYS 15 4.450 -3.947 -13.676 128 1HD LYS 15 2HD LYS 15 4.477 -3.369 -11.504 129 2HD LYS 15 1HD LYS 15 3.438 -1.996 -11.886 130 1HE LYS 15 2HE LYS 15 1.463 -3.187 -11.362 131 2HE LYS 15 1HE LYS 15 2.276 -4.760 -11.487 132 1HZ LYS 15 1HZ LYS 15 2.879 -2.654 -9.475 133 2HZ LYS 15 2HZ LYS 15 3.672 -4.151 -9.609 134 3HZ LYS 15 3HZ LYS 15 2.032 -4.092 -9.169 135 HA PRO 16 HA PRO 16 -0.332 0.847 -16.325 136 1HB PRO 16 2HB PRO 16 -1.637 1.978 -14.203 137 2HB PRO 16 1HB PRO 16 -2.285 0.597 -15.110 138 1HG PRO 16 2HG PRO 16 -0.895 0.649 -12.481 139 2HG PRO 16 1HG PRO 16 -2.253 -0.350 -13.023 140 1HD PRO 16 2HD PRO 16 0.327 -1.243 -12.870 141 2HD PRO 16 1HD PRO 16 -0.889 -1.912 -13.980 142 H ILE 17 H ILE 17 1.456 2.172 -16.731 143 HA ILE 17 HA ILE 17 2.989 3.398 -14.555 144 HB ILE 17 HB ILE 17 3.057 4.022 -17.498 145 1HG1 ILE 17 2HG1 ILE 17 5.003 2.058 -16.818 146 2HG1 ILE 17 1HG1 ILE 17 3.444 1.475 -16.235 147 1HG2 ILE 17 1HG2 ILE 17 4.584 5.439 -16.494 148 2HG2 ILE 17 2HG2 ILE 17 5.607 4.022 -16.730 149 3HG2 ILE 17 3HG2 ILE 17 4.880 4.333 -15.153 150 1HD1 ILE 17 1HD1 ILE 17 3.784 0.753 -18.551 151 2HD1 ILE 17 2HD1 ILE 17 4.054 2.422 -19.050 152 3HD1 ILE 17 3HD1 ILE 17 2.464 1.921 -18.475 153 H TYR 18 H TYR 18 3.427 5.920 -15.003 154 HA TYR 18 HA TYR 18 0.988 7.388 -15.797 155 1HB TYR 18 2HB TYR 18 1.266 6.460 -13.208 156 2HB TYR 18 1HB TYR 18 1.899 8.103 -13.092 157 HD1 TYR 18 HD1 TYR 18 -0.765 6.730 -15.329 158 HD2 TYR 18 HD2 TYR 18 0.187 9.354 -12.063 159 HE1 TYR 18 HE1 TYR 18 -3.076 7.626 -15.375 160 HE2 TYR 18 HE2 TYR 18 -2.126 10.250 -12.110 161 HH TYR 18 HH TYR 18 -3.994 10.412 -14.050 162 H LYS 19 H LYS 19 3.134 7.801 -17.221 163 HA LYS 19 HA LYS 19 4.194 10.417 -16.294 164 1HB LYS 19 2HB LYS 19 6.504 9.664 -16.631 165 2HB LYS 19 1HB LYS 19 5.705 8.609 -15.465 166 1HG LYS 19 2HG LYS 19 5.824 6.806 -16.836 167 2HG LYS 19 1HG LYS 19 5.380 7.749 -18.260 168 1HD LYS 19 2HD LYS 19 7.730 6.807 -18.311 169 2HD LYS 19 1HD LYS 19 7.633 8.556 -18.525 170 1HE LYS 19 2HE LYS 19 9.045 8.784 -16.768 171 2HE LYS 19 1HE LYS 19 7.783 8.099 -15.723 172 1HZ LYS 19 1HZ LYS 19 9.993 6.726 -17.103 173 2HZ LYS 19 2HZ LYS 19 8.557 5.878 -16.775 174 3HZ LYS 19 3HZ LYS 19 9.459 6.552 -15.502 175 H LYS 20 H LYS 20 5.577 11.382 -18.156 176 HA LYS 20 HA LYS 20 5.476 10.434 -20.819 177 1HB LYS 20 2HB LYS 20 3.104 10.453 -20.711 178 2HB LYS 20 1HB LYS 20 3.079 11.978 -19.825 179 1HG LYS 20 2HG LYS 20 4.046 13.099 -21.856 180 2HG LYS 20 1HG LYS 20 3.858 11.578 -22.726 181 1HD LYS 20 2HD LYS 20 1.428 12.394 -21.302 182 2HD LYS 20 1HD LYS 20 1.930 13.550 -22.536 183 1HE LYS 20 2HE LYS 20 2.278 11.236 -23.915 184 2HE LYS 20 1HE LYS 20 0.930 10.772 -22.856 185 1HZ LYS 20 1HZ LYS 20 -0.122 11.835 -24.619 186 2HZ LYS 20 2HZ LYS 20 1.085 13.023 -24.764 187 3HZ LYS 20 3HZ LYS 20 0.000 13.064 -23.458 188 H ALA 21 H ALA 21 7.264 11.593 -21.451 189 HA ALA 21 HA ALA 21 7.163 14.570 -21.165 190 1HB ALA 21 1HB ALA 21 8.600 13.011 -19.494 191 2HB ALA 21 2HB ALA 21 9.150 14.609 -19.999 192 3HB ALA 21 3HB ALA 21 9.768 13.169 -20.806 193 HA PRO 22 HA PRO 22 8.196 13.650 -25.470 194 1HB PRO 22 2HB PRO 22 7.411 16.097 -26.414 195 2HB PRO 22 1HB PRO 22 6.272 14.774 -26.097 196 1HG PRO 22 2HG PRO 22 6.894 17.172 -24.451 197 2HG PRO 22 1HG PRO 22 5.344 16.363 -24.729 198 1HD PRO 22 2HD PRO 22 6.832 16.059 -22.455 199 2HD PRO 22 1HD PRO 22 5.698 14.835 -23.067 200 H THR 23 H THR 23 10.369 14.059 -23.928 201 HA THR 23 HA THR 23 11.828 16.390 -23.843 202 HB THR 23 HB THR 23 13.165 13.938 -24.920 203 HG1 THR 23 HG1 THR 23 12.780 12.871 -22.984 204 1HG2 THR 23 1HG2 THR 23 13.632 15.915 -22.686 205 2HG2 THR 23 2HG2 THR 23 14.624 15.637 -24.119 206 3HG2 THR 23 3HG2 THR 23 14.569 14.428 -22.835 207 H ASN 24 H ASN 24 11.421 17.830 -25.601 208 HA ASN 24 HA ASN 24 12.185 16.905 -28.334 209 1HB ASN 24 2HB ASN 24 10.305 18.792 -27.116 210 2HB ASN 24 1HB ASN 24 11.203 19.507 -28.455 211 1HD2 ASN 24 1HD2 ASN 24 8.777 17.114 -27.609 212 2HD2 ASN 24 2HD2 ASN 24 8.411 16.644 -29.199 213 H GLU 25 H GLU 25 14.071 17.642 -29.259 214 HA GLU 25 HA GLU 25 15.284 20.194 -28.570 215 1HB GLU 25 2HB GLU 25 17.235 19.253 -27.403 216 2HB GLU 25 1HB GLU 25 15.756 18.801 -26.557 217 1HG GLU 25 2HG GLU 25 16.003 16.592 -27.041 218 2HG GLU 25 1HG GLU 25 16.586 16.918 -28.674 219 H PHE 26 H PHE 26 14.542 18.525 -30.946 220 HA PHE 26 HA PHE 26 16.969 17.546 -32.193 221 1HB PHE 26 2HB PHE 26 14.370 17.157 -32.596 222 2HB PHE 26 1HB PHE 26 14.573 18.500 -33.722 223 HD1 PHE 26 HD1 PHE 26 14.722 17.693 -35.906 224 HD2 PHE 26 HD2 PHE 26 16.778 15.621 -32.755 225 HE1 PHE 26 HE1 PHE 26 15.719 16.150 -37.571 226 HE2 PHE 26 HE2 PHE 26 17.774 14.077 -34.420 227 HZ PHE 26 HZ PHE 26 17.245 14.342 -36.828 228 H TYR 27 H TYR 27 17.277 18.637 -34.599 229 HA TYR 27 HA TYR 27 17.575 21.593 -34.185 230 1HB TYR 27 2HB TYR 27 19.720 20.619 -33.783 231 2HB TYR 27 1HB TYR 27 19.546 19.504 -35.138 232 HD1 TYR 27 HD1 TYR 27 21.147 20.046 -36.755 233 HD2 TYR 27 HD2 TYR 27 18.936 23.192 -34.838 234 HE1 TYR 27 HE1 TYR 27 22.205 21.708 -38.261 235 HE2 TYR 27 HE2 TYR 27 19.995 24.853 -36.344 236 HH TYR 27 HH TYR 27 21.979 23.869 -39.059 237 H ALA 28 HN ALA 28 18.413 19.365 -36.849 238 HA ALA 28 HA ALA 28 16.204 20.346 -38.526 239 1HB ALA 28 1HB ALA 28 18.260 22.017 -38.367 240 2HB ALA 28 2HB ALA 28 17.469 21.726 -39.915 241 3HB ALA 28 3HB ALA 28 18.978 20.901 -39.528 242 1H ARG 1 1HT ARG 1 16.412 -15.335 1.658 243 2H ARG 1 2HT ARG 1 17.173 -14.098 2.539 244 3H ARG 1 3HT ARG 1 17.183 -14.065 0.841 245 HA ARG 1 HA ARG 1 14.903 -13.565 2.669 246 1HB ARG 1 2HB ARG 1 16.461 -12.127 0.514 247 2HB ARG 1 1HB ARG 1 14.887 -11.544 1.058 248 1HG ARG 1 2HG ARG 1 16.673 -12.213 3.280 249 2HG ARG 1 1HG ARG 1 17.319 -10.941 2.244 250 1HD ARG 1 2HD ARG 1 14.576 -10.334 2.556 251 2HD ARG 1 1HD ARG 1 15.172 -10.763 4.172 252 HE ARG 1 HE ARG 1 16.047 -8.464 2.587 253 1HH1 ARG 1 1HH2 ARG 1 16.025 -9.897 5.601 254 2HH1 ARG 1 2HH2 ARG 1 17.566 -9.289 6.107 255 1HH2 ARG 1 1HH1 ARG 1 18.399 -8.045 2.980 256 2HH2 ARG 1 2HH1 ARG 1 18.910 -8.240 4.623 257 H MET 2 H MET 2 15.872 -14.539 -0.603 258 HA MET 2 HA MET 2 13.064 -14.595 -1.534 259 1HB MET 2 2HB MET 2 15.559 -14.159 -2.669 260 2HB MET 2 1HB MET 2 15.157 -15.789 -3.211 261 1HG MET 2 2HG MET 2 12.769 -14.404 -3.524 262 2HG MET 2 1HG MET 2 13.990 -13.227 -4.009 263 1HE MET 2 1HE MET 2 14.993 -14.103 -7.360 264 2HE MET 2 2HE MET 2 15.788 -13.614 -5.865 265 3HE MET 2 3HE MET 2 14.228 -12.915 -6.294 266 H LYS 3 H LYS 3 11.916 -16.515 -1.926 267 HA LYS 3 HA LYS 3 13.265 -19.074 -1.125 268 1HB LYS 3 2HB LYS 3 11.089 -17.627 0.060 269 2HB LYS 3 1HB LYS 3 10.460 -19.144 -0.588 270 1HG LYS 3 2HG LYS 3 12.977 -19.051 1.080 271 2HG LYS 3 1HG LYS 3 11.380 -19.207 1.813 272 1HD LYS 3 2HD LYS 3 10.982 -21.189 0.284 273 2HD LYS 3 1HD LYS 3 12.687 -21.096 -0.159 274 1HE LYS 3 2HE LYS 3 12.646 -20.987 2.662 275 2HE LYS 3 1HE LYS 3 11.508 -22.272 2.208 276 1HZ LYS 3 1HZ LYS 3 13.684 -23.218 2.231 277 2HZ LYS 3 2HZ LYS 3 14.315 -21.952 1.288 278 3HZ LYS 3 3HZ LYS 3 13.220 -23.059 0.607 279 H LYS 4 H LYS 4 11.490 -20.923 -1.809 280 HA LYS 4 HA LYS 4 10.910 -20.405 -4.706 281 1HB LYS 4 2HB LYS 4 12.672 -22.100 -3.965 282 2HB LYS 4 1HB LYS 4 11.343 -23.054 -3.303 283 1HG LYS 4 2HG LYS 4 10.283 -22.784 -5.669 284 2HG LYS 4 1HG LYS 4 11.922 -22.371 -6.177 285 1HD LYS 4 2HD LYS 4 12.767 -24.493 -5.324 286 2HD LYS 4 1HD LYS 4 11.176 -24.900 -4.681 287 1HE LYS 4 2HE LYS 4 10.329 -25.444 -6.754 288 2HE LYS 4 1HE LYS 4 11.315 -24.225 -7.587 289 1HZ LYS 4 1HZ LYS 4 12.762 -26.341 -6.211 290 2HZ LYS 4 2HZ LYS 4 13.093 -25.591 -7.700 291 3HZ LYS 4 3HZ LYS 4 11.917 -26.814 -7.603 292 H LYS 5 H LYS 5 8.825 -20.829 -5.447 293 HA LYS 5 HA LYS 5 6.902 -22.162 -3.590 294 1HB LYS 5 2HB LYS 5 7.150 -19.382 -4.044 295 2HB LYS 5 1HB LYS 5 5.716 -19.890 -4.937 296 1HG LYS 5 2HG LYS 5 4.767 -19.545 -2.857 297 2HG LYS 5 1HG LYS 5 5.233 -21.239 -2.691 298 1HD LYS 5 2HD LYS 5 7.506 -20.257 -1.833 299 2HD LYS 5 1HD LYS 5 6.561 -18.795 -1.550 300 1HE LYS 5 2HE LYS 5 4.920 -20.753 -0.496 301 2HE LYS 5 1HE LYS 5 6.542 -21.332 -0.064 302 1HZ LYS 5 1HZ LYS 5 5.419 -19.576 1.437 303 2HZ LYS 5 2HZ LYS 5 5.858 -18.478 0.217 304 3HZ LYS 5 3HZ LYS 5 7.052 -19.376 1.026 305 H ASP 6 H ASP 6 4.859 -22.759 -4.770 306 HA ASP 6 HA ASP 6 5.444 -23.354 -7.649 307 1HB ASP 6 2HB ASP 6 4.658 -24.912 -5.406 308 2HB ASP 6 1HB ASP 6 3.276 -24.867 -6.500 309 H GLU 7 H GLU 7 4.504 -20.843 -7.416 310 HA GLU 7 HA GLU 7 1.800 -21.019 -8.572 311 1HB GLU 7 2HB GLU 7 1.712 -20.965 -5.982 312 2HB GLU 7 1HB GLU 7 2.237 -19.288 -6.134 313 1HG GLU 7 2HG GLU 7 -0.240 -19.483 -6.017 314 2HG GLU 7 1HG GLU 7 0.298 -18.780 -7.544 315 H GLY 8 H GLY 8 2.077 -19.726 -10.351 316 1HA GLY 8 2HA GLY 8 2.759 -16.932 -10.071 317 2HA GLY 8 1HA GLY 8 4.092 -17.838 -10.792 318 H SER 9 H SER 9 0.741 -16.844 -11.247 319 HA SER 9 HA SER 9 1.060 -16.774 -14.119 320 1HB SER 9 2HB SER 9 -0.937 -18.586 -14.186 321 2HB SER 9 1HB SER 9 0.761 -19.052 -14.263 322 HG SER 9 HG SER 9 0.678 -19.734 -12.239 323 H TYR 10 H TYR 10 -0.809 -15.801 -15.143 324 HA TYR 10 HA TYR 10 -2.784 -14.495 -15.207 325 1HB TYR 10 2HB TYR 10 -3.274 -16.662 -13.600 326 2HB TYR 10 1HB TYR 10 -3.618 -15.330 -12.496 327 HD1 TYR 10 HD1 TYR 10 -5.065 -17.434 -14.866 328 HD2 TYR 10 HD2 TYR 10 -4.948 -13.296 -13.719 329 HE1 TYR 10 HE1 TYR 10 -7.242 -17.061 -15.991 330 HE2 TYR 10 HE2 TYR 10 -7.126 -12.923 -14.845 331 HH TYR 10 HH TYR 10 -9.225 -14.789 -15.448 332 H ASP 11 H ASP 11 -0.222 -13.985 -13.272 333 HA ASP 11 HA ASP 11 -1.174 -12.084 -11.336 334 1HB ASP 11 2HB ASP 11 1.381 -13.052 -12.488 335 2HB ASP 11 1HB ASP 11 1.434 -11.446 -11.761 336 H LEU 12 H LEU 12 1.241 -10.987 -13.620 337 HA LEU 12 HA LEU 12 1.351 -8.926 -14.792 338 1HB LEU 12 2HB LEU 12 -1.167 -10.382 -15.524 339 2HB LEU 12 1HB LEU 12 -0.888 -8.782 -16.215 340 HG LEU 12 HG LEU 12 0.972 -11.170 -16.402 341 1HD1 LEU 12 1HD1 LEU 12 -0.644 -9.661 -18.480 342 2HD1 LEU 12 2HD1 LEU 12 -0.964 -11.298 -17.906 343 3HD1 LEU 12 3HD1 LEU 12 0.499 -10.956 -18.830 344 1HD2 LEU 12 1HD2 LEU 12 2.410 -9.303 -16.292 345 2HD2 LEU 12 2HD2 LEU 12 1.271 -8.263 -17.148 346 3HD2 LEU 12 3HD2 LEU 12 2.155 -9.513 -18.025 347 H GLY 13 H GLY 13 -0.463 -6.994 -15.410 348 1HA GLY 13 2HA GLY 13 -1.755 -6.259 -12.817 349 2HA GLY 13 1HA GLY 13 -0.754 -5.096 -13.686 350 H LYS 14 H LYS 14 -1.486 -4.507 -15.905 351 HA LYS 14 HA LYS 14 -4.156 -5.188 -16.791 352 1HB LYS 14 2HB LYS 14 -3.655 -2.887 -14.984 353 2HB LYS 14 1HB LYS 14 -4.729 -2.579 -16.349 354 1HG LYS 14 2HG LYS 14 -5.471 -5.100 -15.276 355 2HG LYS 14 1HG LYS 14 -5.296 -3.994 -13.912 356 1HD LYS 14 2HD LYS 14 -6.639 -2.341 -15.473 357 2HD LYS 14 1HD LYS 14 -7.165 -3.834 -16.252 358 1HE LYS 14 2HE LYS 14 -7.642 -4.617 -13.772 359 2HE LYS 14 1HE LYS 14 -7.706 -2.871 -13.458 360 1HZ LYS 14 1HZ LYS 14 -9.166 -4.234 -15.658 361 2HZ LYS 14 2HZ LYS 14 -9.285 -2.597 -15.220 362 3HZ LYS 14 3HZ LYS 14 -9.869 -3.803 -14.176 363 H LYS 15 H LYS 15 -3.144 -1.878 -17.060 364 HA LYS 15 HA LYS 15 -1.929 -2.417 -19.739 365 1HB LYS 15 2HB LYS 15 -4.257 -0.661 -18.961 366 2HB LYS 15 1HB LYS 15 -3.326 -0.335 -20.424 367 1HG LYS 15 2HG LYS 15 -3.992 -3.156 -20.213 368 2HG LYS 15 1HG LYS 15 -5.442 -2.153 -20.172 369 1HD LYS 15 2HD LYS 15 -5.281 -1.886 -22.399 370 2HD LYS 15 1HD LYS 15 -3.747 -1.047 -22.159 371 1HE LYS 15 2HE LYS 15 -2.478 -3.016 -22.480 372 2HE LYS 15 1HE LYS 15 -3.878 -4.069 -22.187 373 1HZ LYS 15 1HZ LYS 15 -3.586 -2.167 -24.455 374 2HZ LYS 15 2HZ LYS 15 -4.933 -3.158 -24.162 375 3HZ LYS 15 3HZ LYS 15 -3.436 -3.853 -24.562 376 HA PRO 16 HA PRO 16 0.990 0.445 -17.996 377 1HB PRO 16 2HB PRO 16 2.593 0.650 -20.204 378 2HB PRO 16 1HB PRO 16 2.619 -0.753 -19.118 379 1HG PRO 16 2HG PRO 16 1.313 -0.437 -21.770 380 2HG PRO 16 1HG PRO 16 2.134 -1.844 -21.075 381 1HD PRO 16 2HD PRO 16 -0.585 -1.571 -21.189 382 2HD PRO 16 1HD PRO 16 0.262 -2.553 -19.974 383 H ILE 17 H ILE 17 -0.055 2.441 -17.802 384 HA ILE 17 HA ILE 17 -0.984 3.928 -20.151 385 HB ILE 17 HB ILE 17 -0.701 4.873 -17.308 386 1HG1 ILE 17 2HG1 ILE 17 -3.313 3.853 -17.797 387 2HG1 ILE 17 1HG1 ILE 17 -2.164 2.599 -18.263 388 1HG2 ILE 17 1HG2 ILE 17 -1.509 6.670 -18.517 389 2HG2 ILE 17 2HG2 ILE 17 -3.029 5.860 -18.140 390 3HG2 ILE 17 3HG2 ILE 17 -2.283 5.641 -19.722 391 1HD1 ILE 17 1HD1 ILE 17 -2.715 2.374 -15.888 392 2HD1 ILE 17 2HD1 ILE 17 -2.239 4.048 -15.601 393 3HD1 ILE 17 3HD1 ILE 17 -1.028 2.855 -16.067 394 H TYR 18 H TYR 18 -0.299 6.431 -20.024 395 HA TYR 18 HA TYR 18 2.553 6.811 -19.349 396 1HB TYR 18 2HB TYR 18 1.838 5.784 -21.812 397 2HB TYR 18 1HB TYR 18 1.958 7.512 -22.143 398 HD1 TYR 18 HD1 TYR 18 3.848 5.422 -19.686 399 HD2 TYR 18 HD2 TYR 18 4.011 7.785 -23.269 400 HE1 TYR 18 HE1 TYR 18 6.323 5.252 -19.686 401 HE2 TYR 18 HE2 TYR 18 6.485 7.615 -23.270 402 HH TYR 18 HH TYR 18 8.297 7.203 -21.312 403 H LYS 19 H LYS 19 0.825 8.264 -18.043 404 HA LYS 19 HA LYS 19 0.948 10.948 -19.308 405 1HB LYS 19 2HB LYS 19 -1.455 11.294 -18.945 406 2HB LYS 19 1HB LYS 19 -1.209 9.867 -19.953 407 1HG LYS 19 2HG LYS 19 -2.044 8.464 -18.376 408 2HG LYS 19 1HG LYS 19 -1.203 9.295 -17.067 409 1HD LYS 19 2HD LYS 19 -3.730 9.452 -16.966 410 2HD LYS 19 1HD LYS 19 -2.894 11.006 -16.962 411 1HE LYS 19 2HE LYS 19 -4.124 11.597 -18.771 412 2HE LYS 19 1HE LYS 19 -3.299 10.321 -19.690 413 1HZ LYS 19 1HZ LYS 19 -5.845 10.192 -18.215 414 2HZ LYS 19 2HZ LYS 19 -4.912 8.783 -18.399 415 3HZ LYS 19 3HZ LYS 19 -5.479 9.615 -19.768 416 H LYS 20 H LYS 20 0.155 12.628 -17.614 417 HA LYS 20 HA LYS 20 -0.084 12.056 -14.855 418 1HB LYS 20 2HB LYS 20 2.069 11.055 -14.900 419 2HB LYS 20 1HB LYS 20 2.715 12.306 -15.963 420 1HG LYS 20 2HG LYS 20 2.368 13.969 -14.111 421 2HG LYS 20 1HG LYS 20 1.918 12.628 -13.056 422 1HD LYS 20 2HD LYS 20 4.426 12.159 -14.505 423 2HD LYS 20 1HD LYS 20 4.494 13.558 -13.433 424 1HE LYS 20 2HE LYS 20 3.236 11.797 -11.794 425 2HE LYS 20 1HE LYS 20 4.230 10.680 -12.752 426 1HZ LYS 20 1HZ LYS 20 5.681 11.402 -11.102 427 2HZ LYS 20 2HZ LYS 20 5.096 12.996 -11.135 428 3HZ LYS 20 3HZ LYS 20 6.061 12.417 -12.407 429 H ALA 21 H ALA 21 -1.194 13.931 -14.417 430 HA ALA 21 HA ALA 21 0.151 16.526 -15.058 431 1HB ALA 21 1HB ALA 21 -1.856 15.534 -16.566 432 2HB ALA 21 2HB ALA 21 -1.662 17.261 -16.274 433 3HB ALA 21 3HB ALA 21 -2.811 16.328 -15.315 434 HA PRO 22 HA PRO 22 -1.057 16.659 -10.703 435 1HB PRO 22 2HB PRO 22 0.716 18.637 -10.041 436 2HB PRO 22 1HB PRO 22 1.178 16.928 -10.166 437 1HG PRO 22 2HG PRO 22 1.587 19.145 -12.105 438 2HG PRO 22 1HG PRO 22 2.655 17.796 -11.690 439 1HD PRO 22 2HD PRO 22 1.117 17.878 -13.950 440 2HD PRO 22 1HD PRO 22 1.641 16.373 -13.163 441 H THR 23 H THR 23 -2.892 17.760 -12.341 442 HA THR 23 HA THR 23 -3.230 20.461 -12.748 443 HB THR 23 HB THR 23 -5.449 18.956 -11.418 444 HG1 THR 23 HG1 THR 23 -5.605 17.601 -13.199 445 1HG2 THR 23 1HG2 THR 23 -5.095 20.659 -13.887 446 2HG2 THR 23 2HG2 THR 23 -6.072 21.002 -12.458 447 3HG2 THR 23 3HG2 THR 23 -6.570 19.740 -13.585 448 H ASN 24 H ASN 24 -2.203 21.793 -11.168 449 HA ASN 24 HA ASN 24 -3.212 21.617 -8.364 450 1HB ASN 24 2HB ASN 24 -0.744 22.368 -9.750 451 2HB ASN 24 1HB ASN 24 -1.217 23.552 -8.532 452 1HD2 ASN 24 1HD2 ASN 24 -0.057 20.274 -9.015 453 2HD2 ASN 24 2HD2 ASN 24 0.118 19.889 -7.371 454 H GLU 25 H GLU 25 -4.582 23.191 -7.586 455 HA GLU 25 HA GLU 25 -4.618 25.912 -8.612 456 1HB GLU 25 2HB GLU 25 -6.815 25.754 -9.707 457 2HB GLU 25 1HB GLU 25 -5.689 24.618 -10.453 458 1HG GLU 25 2HG GLU 25 -6.836 22.798 -9.712 459 2HG GLU 25 1HG GLU 25 -7.182 23.535 -8.147 460 H PHE 26 H PHE 26 -4.589 24.389 -6.032 461 HA PHE 26 HA PHE 26 -7.167 24.687 -4.741 462 1HB PHE 26 2HB PHE 26 -4.968 23.286 -4.223 463 2HB PHE 26 1HB PHE 26 -4.552 24.715 -3.275 464 HD1 PHE 26 HD1 PHE 26 -4.969 24.318 -1.015 465 HD2 PHE 26 HD2 PHE 26 -7.794 22.947 -3.946 466 HE1 PHE 26 HE1 PHE 26 -6.481 23.556 0.799 467 HE2 PHE 26 HE2 PHE 26 -9.307 22.186 -2.133 468 HZ PHE 26 HZ PHE 26 -8.649 22.490 0.239 469 H TYR 27 H TYR 27 -6.919 26.089 -2.493 470 HA TYR 27 HA TYR 27 -5.947 28.818 -3.271 471 1HB TYR 27 2HB TYR 27 -8.312 28.805 -3.610 472 2HB TYR 27 1HB TYR 27 -8.591 27.894 -2.126 473 HD1 TYR 27 HD1 TYR 27 -9.766 29.255 -0.630 474 HD2 TYR 27 HD2 TYR 27 -6.485 30.910 -2.854 475 HE1 TYR 27 HE1 TYR 27 -9.980 31.378 0.635 476 HE2 TYR 27 HE2 TYR 27 -6.698 33.032 -1.589 477 HH TYR 27 HH TYR 27 -8.838 33.319 1.171 478 H ALA 28 HN ALA 28 -7.578 27.497 -0.381 479 HA ALA 28 HA ALA 28 -5.117 27.645 1.225 480 1HB ALA 28 1HB ALA 28 -6.274 29.996 0.808 481 2HB ALA 28 2HB ALA 28 -5.639 29.588 2.402 482 3HB ALA 28 3HB ALA 28 -7.366 29.440 2.077 Start of MODEL 4 1 1H ARG 1 1HT ARG 1 -17.718 -27.707 -32.101 2 2H ARG 1 2HT ARG 1 -18.555 -26.507 -32.965 3 3H ARG 1 3HT ARG 1 -19.302 -27.293 -31.657 4 HA ARG 1 HA ARG 1 -16.803 -25.777 -31.226 5 1HB ARG 1 2HB ARG 1 -19.569 -24.830 -31.871 6 2HB ARG 1 1HB ARG 1 -18.660 -23.944 -30.646 7 1HG ARG 1 2HG ARG 1 -16.734 -24.153 -32.506 8 2HG ARG 1 1HG ARG 1 -18.142 -24.206 -33.568 9 1HD ARG 1 2HD ARG 1 -18.968 -22.092 -32.659 10 2HD ARG 1 1HD ARG 1 -17.641 -22.054 -31.479 11 HE ARG 1 HE ARG 1 -16.669 -22.369 -34.199 12 1HH1 ARG 1 1HH2 ARG 1 -16.106 -20.587 -31.547 13 2HH1 ARG 1 2HH2 ARG 1 -16.004 -19.043 -32.322 14 1HH2 ARG 1 1HH1 ARG 1 -17.273 -20.179 -35.343 15 2HH2 ARG 1 2HH1 ARG 1 -16.666 -18.811 -34.472 16 H MET 2 H MET 2 -16.409 -27.057 -29.361 17 HA MET 2 HA MET 2 -18.493 -26.847 -27.211 18 1HB MET 2 2HB MET 2 -16.688 -29.140 -28.033 19 2HB MET 2 1HB MET 2 -17.587 -29.123 -26.516 20 1HG MET 2 2HG MET 2 -19.438 -29.815 -27.585 21 2HG MET 2 1HG MET 2 -19.374 -28.401 -28.637 22 1HE MET 2 1HE MET 2 -19.706 -30.529 -31.606 23 2HE MET 2 2HE MET 2 -20.154 -29.114 -30.656 24 3HE MET 2 3HE MET 2 -20.648 -30.719 -30.120 25 H LYS 3 H LYS 3 -17.709 -26.019 -25.296 26 HA LYS 3 HA LYS 3 -14.730 -25.834 -24.974 27 1HB LYS 3 2HB LYS 3 -15.372 -23.650 -23.763 28 2HB LYS 3 1HB LYS 3 -15.556 -23.663 -25.518 29 1HG LYS 3 2HG LYS 3 -17.916 -24.626 -24.023 30 2HG LYS 3 1HG LYS 3 -17.531 -22.922 -23.778 31 1HD LYS 3 2HD LYS 3 -17.209 -23.153 -26.485 32 2HD LYS 3 1HD LYS 3 -18.519 -24.299 -26.196 33 1HE LYS 3 2HE LYS 3 -19.737 -22.507 -24.921 34 2HE LYS 3 1HE LYS 3 -18.469 -21.365 -25.409 35 1HZ LYS 3 1HZ LYS 3 -19.822 -21.137 -27.200 36 2HZ LYS 3 2HZ LYS 3 -20.501 -22.685 -27.037 37 3HZ LYS 3 3HZ LYS 3 -18.965 -22.499 -27.736 38 H LYS 4 H LYS 4 -14.096 -25.594 -22.625 39 HA LYS 4 HA LYS 4 -16.088 -26.681 -20.693 40 1HB LYS 4 2HB LYS 4 -14.277 -28.352 -20.019 41 2HB LYS 4 1HB LYS 4 -15.030 -28.644 -21.588 42 1HG LYS 4 2HG LYS 4 -13.130 -27.316 -22.624 43 2HG LYS 4 1HG LYS 4 -12.344 -27.357 -21.046 44 1HD LYS 4 2HD LYS 4 -11.591 -29.197 -22.574 45 2HD LYS 4 1HD LYS 4 -12.301 -29.785 -21.071 46 1HE LYS 4 2HE LYS 4 -14.298 -29.383 -23.190 47 2HE LYS 4 1HE LYS 4 -13.076 -30.605 -23.596 48 1HZ LYS 4 1HZ LYS 4 -13.404 -31.416 -21.229 49 2HZ LYS 4 2HZ LYS 4 -14.657 -31.751 -22.325 50 3HZ LYS 4 3HZ LYS 4 -14.820 -30.483 -21.207 51 H LYS 5 H LYS 5 -14.561 -24.097 -21.135 52 HA LYS 5 HA LYS 5 -13.128 -22.617 -19.939 53 1HB LYS 5 2HB LYS 5 -14.150 -22.186 -17.796 54 2HB LYS 5 1HB LYS 5 -15.427 -22.715 -18.889 55 1HG LYS 5 2HG LYS 5 -14.035 -24.835 -17.318 56 2HG LYS 5 1HG LYS 5 -15.117 -23.763 -16.434 57 1HD LYS 5 2HD LYS 5 -16.297 -24.618 -18.953 58 2HD LYS 5 1HD LYS 5 -15.874 -25.995 -17.934 59 1HE LYS 5 2HE LYS 5 -17.282 -25.291 -16.179 60 2HE LYS 5 1HE LYS 5 -17.332 -23.618 -16.771 61 1HZ LYS 5 1HZ LYS 5 -18.801 -24.130 -18.403 62 2HZ LYS 5 2HZ LYS 5 -19.252 -25.347 -17.307 63 3HZ LYS 5 3HZ LYS 5 -18.217 -25.709 -18.604 64 H ASP 6 H ASP 6 -12.629 -23.170 -16.990 65 HA ASP 6 HA ASP 6 -10.871 -24.081 -15.699 66 1HB ASP 6 2HB ASP 6 -11.292 -26.337 -17.689 67 2HB ASP 6 1HB ASP 6 -10.501 -26.484 -16.119 68 H GLU 7 H GLU 7 -8.542 -24.502 -15.802 69 HA GLU 7 HA GLU 7 -6.421 -23.909 -16.693 70 1HB GLU 7 2HB GLU 7 -7.857 -25.767 -18.555 71 2HB GLU 7 1HB GLU 7 -6.294 -25.123 -19.061 72 1HG GLU 7 2HG GLU 7 -6.261 -26.021 -16.283 73 2HG GLU 7 1HG GLU 7 -6.687 -27.320 -17.398 74 H GLY 8 H GLY 8 -6.687 -21.607 -16.960 75 1HA GLY 8 2HA GLY 8 -6.517 -20.685 -19.693 76 2HA GLY 8 1HA GLY 8 -8.070 -20.252 -18.977 77 H SER 9 H SER 9 -4.592 -19.758 -18.770 78 HA SER 9 HA SER 9 -4.625 -17.999 -16.489 79 1HB SER 9 2HB SER 9 -2.687 -18.157 -18.815 80 2HB SER 9 1HB SER 9 -2.339 -17.541 -17.202 81 HG SER 9 HG SER 9 -3.158 -19.791 -16.593 82 H TYR 10 H TYR 10 -4.835 -15.745 -16.426 83 HA TYR 10 HA TYR 10 -5.999 -14.464 -18.831 84 1HB TYR 10 2HB TYR 10 -6.766 -14.408 -16.311 85 2HB TYR 10 1HB TYR 10 -5.536 -13.152 -16.164 86 HD1 TYR 10 HD1 TYR 10 -5.644 -11.739 -18.693 87 HD2 TYR 10 HD2 TYR 10 -8.861 -13.358 -16.349 88 HE1 TYR 10 HE1 TYR 10 -7.204 -10.091 -19.695 89 HE2 TYR 10 HE2 TYR 10 -10.420 -11.711 -17.351 90 HH TYR 10 HH TYR 10 -10.674 -10.209 -19.032 91 H ASP 11 H ASP 11 -4.085 -14.185 -20.144 92 HA ASP 11 HA ASP 11 -1.663 -12.977 -19.175 93 1HB ASP 11 2HB ASP 11 -1.156 -12.855 -21.585 94 2HB ASP 11 1HB ASP 11 -1.885 -14.410 -21.188 95 H LEU 12 H LEU 12 -3.168 -11.213 -18.017 96 HA LEU 12 HA LEU 12 -4.409 -9.106 -19.397 97 1HB LEU 12 2HB LEU 12 -2.669 -8.887 -16.925 98 2HB LEU 12 1HB LEU 12 -4.060 -7.883 -17.338 99 HG LEU 12 HG LEU 12 -4.843 -10.650 -17.399 100 1HD1 LEU 12 1HD1 LEU 12 -3.374 -9.703 -14.929 101 2HD1 LEU 12 2HD1 LEU 12 -3.094 -11.179 -15.853 102 3HD1 LEU 12 3HD1 LEU 12 -4.560 -11.008 -14.886 103 1HD2 LEU 12 1HD2 LEU 12 -6.494 -9.846 -15.760 104 2HD2 LEU 12 2HD2 LEU 12 -6.315 -8.677 -17.068 105 3HD2 LEU 12 3HD2 LEU 12 -5.547 -8.380 -15.509 106 H GLY 13 H GLY 13 -3.136 -6.737 -18.931 107 1HA GLY 13 2HA GLY 13 -1.189 -6.619 -21.060 108 2HA GLY 13 1HA GLY 13 -1.615 -5.286 -19.987 109 H LYS 14 H LYS 14 -0.380 -4.957 -18.092 110 HA LYS 14 HA LYS 14 1.624 -6.839 -17.193 111 1HB LYS 14 2HB LYS 14 2.630 -6.139 -19.311 112 2HB LYS 14 1HB LYS 14 2.456 -4.444 -18.854 113 1HG LYS 14 2HG LYS 14 3.865 -5.059 -16.777 114 2HG LYS 14 1HG LYS 14 4.282 -6.528 -17.660 115 1HD LYS 14 2HD LYS 14 4.515 -4.040 -19.234 116 2HD LYS 14 1HD LYS 14 5.646 -4.166 -17.885 117 1HE LYS 14 2HE LYS 14 5.286 -6.568 -19.646 118 2HE LYS 14 1HE LYS 14 6.273 -5.218 -20.242 119 1HZ LYS 14 1HZ LYS 14 7.766 -6.480 -18.999 120 2HZ LYS 14 2HZ LYS 14 6.631 -6.814 -17.780 121 3HZ LYS 14 3HZ LYS 14 7.298 -5.258 -17.919 122 H LYS 15 H LYS 15 2.594 -3.526 -17.223 123 HA LYS 15 HA LYS 15 1.552 -3.195 -14.429 124 1HB LYS 15 2HB LYS 15 4.222 -2.660 -15.723 125 2HB LYS 15 1HB LYS 15 3.753 -1.802 -14.255 126 1HG LYS 15 2HG LYS 15 3.172 -4.625 -13.995 127 2HG LYS 15 1HG LYS 15 4.867 -4.385 -14.421 128 1HD LYS 15 2HD LYS 15 5.023 -2.685 -12.577 129 2HD LYS 15 1HD LYS 15 3.383 -3.122 -12.099 130 1HE LYS 15 2HE LYS 15 4.066 -5.069 -11.123 131 2HE LYS 15 1HE LYS 15 5.207 -5.428 -12.436 132 1HZ LYS 15 1HZ LYS 15 5.791 -3.092 -10.799 133 2HZ LYS 15 2HZ LYS 15 6.850 -4.237 -11.472 134 3HZ LYS 15 3HZ LYS 15 6.001 -4.596 -10.045 135 HA PRO 16 HA PRO 16 -0.252 0.416 -16.317 136 1HB PRO 16 2HB PRO 16 -1.407 1.399 -14.039 137 2HB PRO 16 1HB PRO 16 -2.088 0.042 -14.959 138 1HG PRO 16 2HG PRO 16 -0.481 0.016 -12.456 139 2HG PRO 16 1HG PRO 16 -1.851 -1.000 -12.929 140 1HD PRO 16 2HD PRO 16 0.753 -1.819 -13.040 141 2HD PRO 16 1HD PRO 16 -0.534 -2.468 -14.081 142 H ILE 17 H ILE 17 1.438 1.834 -16.804 143 HA ILE 17 HA ILE 17 3.014 3.069 -14.629 144 HB ILE 17 HB ILE 17 3.162 3.631 -17.577 145 1HG1 ILE 17 2HG1 ILE 17 5.042 1.667 -17.103 146 2HG1 ILE 17 1HG1 ILE 17 3.660 1.104 -16.163 147 1HG2 ILE 17 1HG2 ILE 17 4.824 4.930 -16.751 148 2HG2 ILE 17 2HG2 ILE 17 5.706 3.418 -16.540 149 3HG2 ILE 17 3HG2 ILE 17 4.803 4.107 -15.192 150 1HD1 ILE 17 1HD1 ILE 17 3.952 1.403 -19.105 151 2HD1 ILE 17 2HD1 ILE 17 2.385 1.845 -18.426 152 3HD1 ILE 17 3HD1 ILE 17 3.027 0.221 -18.179 153 H TYR 18 H TYR 18 3.460 5.584 -15.259 154 HA TYR 18 HA TYR 18 1.118 7.046 -16.216 155 1HB TYR 18 2HB TYR 18 1.015 6.063 -13.638 156 2HB TYR 18 1HB TYR 18 1.631 7.696 -13.389 157 HD1 TYR 18 HD1 TYR 18 -0.672 6.427 -16.044 158 HD2 TYR 18 HD2 TYR 18 -0.220 8.910 -12.568 159 HE1 TYR 18 HE1 TYR 18 -2.949 7.343 -16.402 160 HE2 TYR 18 HE2 TYR 18 -2.497 9.826 -12.926 161 HH TYR 18 HH TYR 18 -4.559 9.243 -14.028 162 H LYS 19 H LYS 19 3.458 7.481 -17.298 163 HA LYS 19 HA LYS 19 4.634 9.854 -15.883 164 1HB LYS 19 2HB LYS 19 5.966 7.648 -16.128 165 2HB LYS 19 1HB LYS 19 6.065 8.053 -17.842 166 1HG LYS 19 2HG LYS 19 7.983 9.105 -17.108 167 2HG LYS 19 1HG LYS 19 6.829 10.415 -16.857 168 1HD LYS 19 2HD LYS 19 6.598 9.856 -14.517 169 2HD LYS 19 1HD LYS 19 7.552 8.387 -14.725 170 1HE LYS 19 2HE LYS 19 9.563 9.630 -15.117 171 2HE LYS 19 1HE LYS 19 8.665 11.150 -15.301 172 1HZ LYS 19 1HZ LYS 19 9.549 10.992 -13.069 173 2HZ LYS 19 2HZ LYS 19 8.806 9.480 -12.845 174 3HZ LYS 19 3HZ LYS 19 7.857 10.878 -13.019 175 H LYS 20 H LYS 20 5.115 11.666 -17.218 176 HA LYS 20 HA LYS 20 5.119 11.786 -20.031 177 1HB LYS 20 2HB LYS 20 2.560 11.226 -18.884 178 2HB LYS 20 1HB LYS 20 2.498 12.848 -19.575 179 1HG LYS 20 2HG LYS 20 3.682 10.542 -21.118 180 2HG LYS 20 1HG LYS 20 1.948 10.862 -21.141 181 1HD LYS 20 2HD LYS 20 3.233 13.357 -21.539 182 2HD LYS 20 1HD LYS 20 4.038 12.200 -22.601 183 1HE LYS 20 2HE LYS 20 1.201 11.718 -22.697 184 2HE LYS 20 1HE LYS 20 1.514 13.435 -23.021 185 1HZ LYS 20 1HZ LYS 20 2.747 11.087 -24.353 186 2HZ LYS 20 2HZ LYS 20 3.363 12.663 -24.501 187 3HZ LYS 20 3HZ LYS 20 1.803 12.303 -25.067 188 H ALA 21 H ALA 21 5.454 13.941 -20.723 189 HA ALA 21 HA ALA 21 4.688 16.243 -19.121 190 1HB ALA 21 1HB ALA 21 6.380 15.719 -17.618 191 2HB ALA 21 2HB ALA 21 7.293 16.694 -18.771 192 3HB ALA 21 3HB ALA 21 7.368 14.934 -18.850 193 HA PRO 22 HA PRO 22 5.506 17.385 -23.410 194 1HB PRO 22 2HB PRO 22 3.875 19.583 -23.375 195 2HB PRO 22 1HB PRO 22 3.266 17.932 -23.606 196 1HG PRO 22 2HG PRO 22 3.259 19.627 -21.162 197 2HG PRO 22 1HG PRO 22 2.032 18.499 -21.759 198 1HD PRO 22 2HD PRO 22 3.779 17.915 -19.738 199 2HD PRO 22 1HD PRO 22 3.039 16.690 -20.792 200 H THR 23 H THR 23 5.810 19.953 -24.191 201 HA THR 23 HA THR 23 7.024 21.778 -22.376 202 HB THR 23 HB THR 23 8.658 20.026 -22.026 203 HG1 THR 23 HG1 THR 23 10.318 21.288 -22.350 204 1HG2 THR 23 1HG2 THR 23 8.664 19.891 -25.043 205 2HG2 THR 23 2HG2 THR 23 8.301 18.600 -23.898 206 3HG2 THR 23 3HG2 THR 23 9.954 19.189 -24.068 207 H ASN 24 H ASN 24 9.275 22.299 -24.372 208 HA ASN 24 HA ASN 24 8.233 24.328 -25.928 209 1HB ASN 24 2HB ASN 24 10.628 23.086 -25.642 210 2HB ASN 24 1HB ASN 24 10.197 22.537 -27.262 211 1HD2 ASN 24 1HD2 ASN 24 12.374 24.319 -26.938 212 2HD2 ASN 24 2HD2 ASN 24 11.950 25.834 -27.575 213 H GLU 25 H GLU 25 6.795 24.427 -27.615 214 HA GLU 25 HA GLU 25 6.496 22.117 -29.450 215 1HB GLU 25 2HB GLU 25 4.715 22.814 -27.240 216 2HB GLU 25 1HB GLU 25 3.867 22.783 -28.786 217 1HG GLU 25 2HG GLU 25 5.594 20.538 -28.777 218 2HG GLU 25 1HG GLU 25 4.797 20.563 -27.203 219 H PHE 26 H PHE 26 7.220 25.134 -29.407 220 HA PHE 26 HA PHE 26 5.369 26.820 -30.581 221 1HB PHE 26 2HB PHE 26 8.160 26.610 -30.306 222 2HB PHE 26 1HB PHE 26 7.889 26.871 -32.029 223 HD1 PHE 26 HD1 PHE 26 8.762 28.647 -29.328 224 HD2 PHE 26 HD2 PHE 26 5.546 28.548 -32.173 225 HE1 PHE 26 HE1 PHE 26 8.303 31.046 -28.894 226 HE2 PHE 26 HE2 PHE 26 5.088 30.946 -31.739 227 HZ PHE 26 HZ PHE 26 6.466 32.195 -30.100 228 H TYR 27 H TYR 27 4.467 27.072 -32.655 229 HA TYR 27 HA TYR 27 5.314 25.312 -34.869 230 1HB TYR 27 2HB TYR 27 3.208 24.660 -33.021 231 2HB TYR 27 1HB TYR 27 2.502 24.946 -34.611 232 HD1 TYR 27 HD1 TYR 27 3.311 23.656 -36.593 233 HD2 TYR 27 HD2 TYR 27 4.607 22.755 -32.598 234 HE1 TYR 27 HE1 TYR 27 4.130 21.443 -37.357 235 HE2 TYR 27 HE2 TYR 27 5.424 20.543 -33.362 236 HH TYR 27 HH TYR 27 4.817 18.942 -35.338 237 H ALA 28 HN ALA 28 2.976 27.690 -33.623 238 HA ALA 28 HA ALA 28 3.050 29.040 -36.290 239 1HB ALA 28 1HB ALA 28 1.052 27.461 -35.883 240 2HB ALA 28 2HB ALA 28 0.668 29.111 -36.373 241 3HB ALA 28 3HB ALA 28 0.521 28.636 -34.681 242 1H ARG 1 1HT ARG 1 5.059 -30.642 1.587 243 2H ARG 1 2HT ARG 1 6.349 -29.816 2.323 244 3H ARG 1 3HT ARG 1 6.656 -30.996 1.140 245 HA ARG 1 HA ARG 1 5.026 -28.629 0.460 246 1HB ARG 1 2HB ARG 1 7.948 -28.872 1.061 247 2HB ARG 1 1HB ARG 1 7.467 -27.840 -0.287 248 1HG ARG 1 2HG ARG 1 5.686 -26.987 1.532 249 2HG ARG 1 1HG ARG 1 6.967 -27.502 2.630 250 1HD ARG 1 2HD ARG 1 8.584 -26.065 1.494 251 2HD ARG 1 1HD ARG 1 7.368 -25.611 0.283 252 HE ARG 1 HE ARG 1 6.428 -25.152 2.995 253 1HH1 ARG 1 1HH2 ARG 1 6.602 -23.636 0.132 254 2HH1 ARG 1 2HH2 ARG 1 7.186 -22.111 0.711 255 1HH2 ARG 1 1HH1 ARG 1 7.934 -23.304 3.880 256 2HH2 ARG 1 2HH1 ARG 1 7.940 -21.924 2.833 257 H MET 2 H MET 2 4.076 -29.836 -1.245 258 HA MET 2 HA MET 2 5.992 -30.792 -3.348 259 1HB MET 2 2HB MET 2 3.409 -31.985 -2.303 260 2HB MET 2 1HB MET 2 4.190 -32.534 -3.787 261 1HG MET 2 2HG MET 2 5.602 -33.812 -2.592 262 2HG MET 2 1HG MET 2 6.170 -32.387 -1.720 263 1HE MET 2 1HE MET 2 5.650 -34.079 1.491 264 2HE MET 2 2HE MET 2 6.630 -33.113 0.391 265 3HE MET 2 3HE MET 2 6.382 -34.827 0.066 266 H LYS 3 H LYS 3 5.583 -29.948 -5.369 267 HA LYS 3 HA LYS 3 2.955 -28.558 -5.792 268 1HB LYS 3 2HB LYS 3 4.427 -27.017 -7.240 269 2HB LYS 3 1HB LYS 3 4.638 -26.894 -5.493 270 1HG LYS 3 2HG LYS 3 6.325 -28.940 -6.796 271 2HG LYS 3 1HG LYS 3 6.692 -27.276 -7.256 272 1HD LYS 3 2HD LYS 3 6.376 -27.019 -4.550 273 2HD LYS 3 1HD LYS 3 7.068 -28.637 -4.663 274 1HE LYS 3 2HE LYS 3 8.897 -27.700 -6.111 275 2HE LYS 3 1HE LYS 3 8.245 -26.078 -5.800 276 1HZ LYS 3 1HZ LYS 3 9.615 -26.230 -4.014 277 2HZ LYS 3 2HZ LYS 3 9.570 -27.927 -3.970 278 3HZ LYS 3 3HZ LYS 3 8.277 -27.025 -3.341 279 H LYS 4 H LYS 4 2.419 -28.360 -8.169 280 HA LYS 4 HA LYS 4 3.710 -30.413 -9.900 281 1HB LYS 4 2HB LYS 4 1.344 -31.228 -10.416 282 2HB LYS 4 1HB LYS 4 1.944 -31.618 -8.804 283 1HG LYS 4 2HG LYS 4 0.815 -29.495 -7.988 284 2HG LYS 4 1HG LYS 4 0.043 -29.391 -9.570 285 1HD LYS 4 2HD LYS 4 -1.377 -30.538 -7.851 286 2HD LYS 4 1HD LYS 4 -1.024 -31.550 -9.252 287 1HE LYS 4 2HE LYS 4 1.012 -31.777 -7.144 288 2HE LYS 4 1HE LYS 4 -0.601 -32.307 -6.627 289 1HZ LYS 4 1HZ LYS 4 -0.713 -33.461 -8.869 290 2HZ LYS 4 2HZ LYS 4 0.310 -34.160 -7.706 291 3HZ LYS 4 3HZ LYS 4 0.964 -33.226 -8.965 292 H LYS 5 H LYS 5 3.433 -27.393 -9.816 293 HA LYS 5 HA LYS 5 2.731 -25.602 -11.221 294 1HB LYS 5 2HB LYS 5 3.782 -25.908 -13.372 295 2HB LYS 5 1HB LYS 5 4.742 -26.792 -12.190 296 1HG LYS 5 2HG LYS 5 2.542 -28.296 -13.528 297 2HG LYS 5 1HG LYS 5 3.952 -27.898 -14.506 298 1HD LYS 5 2HD LYS 5 4.727 -28.860 -11.871 299 2HD LYS 5 1HD LYS 5 3.733 -30.041 -12.726 300 1HE LYS 5 2HE LYS 5 5.257 -30.218 -14.515 301 2HE LYS 5 1HE LYS 5 6.028 -28.666 -14.130 302 1HZ LYS 5 1HZ LYS 5 7.185 -29.550 -12.409 303 2HZ LYS 5 2HZ LYS 5 7.048 -30.967 -13.337 304 3HZ LYS 5 3HZ LYS 5 5.992 -30.696 -12.033 305 H ASP 6 H ASP 6 1.966 -26.245 -14.093 306 HA ASP 6 HA ASP 6 -0.048 -26.474 -15.312 307 1HB ASP 6 2HB ASP 6 -0.568 -28.436 -13.053 308 2HB ASP 6 1HB ASP 6 -1.389 -28.422 -14.614 309 H GLU 7 H GLU 7 -2.332 -25.851 -15.222 310 HA GLU 7 HA GLU 7 -3.976 -24.313 -14.467 311 1HB GLU 7 2HB GLU 7 -3.414 -26.362 -12.356 312 2HB GLU 7 1HB GLU 7 -4.542 -25.062 -11.973 313 1HG GLU 7 2HG GLU 7 -5.027 -26.191 -14.622 314 2HG GLU 7 1HG GLU 7 -5.161 -27.403 -13.347 315 H GLY 8 H GLY 8 -2.753 -22.326 -14.474 316 1HA GLY 8 2HA GLY 8 -2.442 -21.095 -11.878 317 2HA GLY 8 1HA GLY 8 -0.872 -21.453 -12.599 318 H SER 9 H SER 9 -3.817 -19.560 -12.958 319 HA SER 9 HA SER 9 -3.104 -18.272 -15.434 320 1HB SER 9 2HB SER 9 -4.862 -17.311 -13.158 321 2HB SER 9 1HB SER 9 -4.959 -16.806 -14.843 322 HG SER 9 HG SER 9 -5.189 -19.247 -15.154 323 H TYR 10 H TYR 10 -1.960 -16.345 -15.763 324 HA TYR 10 HA TYR 10 -0.298 -15.396 -13.501 325 1HB TYR 10 2HB TYR 10 0.352 -15.977 -15.989 326 2HB TYR 10 1HB TYR 10 -0.234 -14.346 -16.319 327 HD1 TYR 10 HD1 TYR 10 0.532 -12.817 -13.977 328 HD2 TYR 10 HD2 TYR 10 2.694 -15.917 -16.020 329 HE1 TYR 10 HE1 TYR 10 2.669 -11.879 -13.141 330 HE2 TYR 10 HE2 TYR 10 4.831 -14.977 -15.183 331 HH TYR 10 HH TYR 10 5.743 -13.534 -13.690 332 H ASP 11 H ASP 11 -1.877 -14.177 -12.283 333 HA ASP 11 HA ASP 11 -3.585 -12.183 -13.457 334 1HB ASP 11 2HB ASP 11 -3.927 -11.566 -11.094 335 2HB ASP 11 1HB ASP 11 -3.936 -13.320 -11.280 336 H LEU 12 H LEU 12 -1.506 -11.377 -14.779 337 HA LEU 12 HA LEU 12 0.548 -9.845 -13.631 338 1HB LEU 12 2HB LEU 12 -1.001 -9.210 -16.158 339 2HB LEU 12 1HB LEU 12 0.693 -8.848 -15.832 340 HG LEU 12 HG LEU 12 0.233 -11.657 -15.415 341 1HD1 LEU 12 1HD1 LEU 12 -0.763 -10.484 -18.021 342 2HD1 LEU 12 2HD1 LEU 12 -1.617 -11.578 -16.933 343 3HD1 LEU 12 3HD1 LEU 12 -0.244 -12.163 -17.872 344 1HD2 LEU 12 1HD2 LEU 12 2.023 -11.834 -17.094 345 2HD2 LEU 12 2HD2 LEU 12 2.393 -10.550 -15.942 346 3HD2 LEU 12 3HD2 LEU 12 1.780 -10.146 -17.547 347 H GLY 13 H GLY 13 0.387 -7.235 -14.415 348 1HA GLY 13 2HA GLY 13 -1.269 -6.046 -12.369 349 2HA GLY 13 1HA GLY 13 -0.347 -5.159 -13.584 350 H LYS 14 H LYS 14 -1.377 -4.570 -15.538 351 HA LYS 14 HA LYS 14 -4.013 -5.520 -16.257 352 1HB LYS 14 2HB LYS 14 -4.570 -4.209 -14.266 353 2HB LYS 14 1HB LYS 14 -3.707 -2.818 -14.920 354 1HG LYS 14 2HG LYS 14 -5.299 -3.023 -16.946 355 2HG LYS 14 1HG LYS 14 -6.275 -4.058 -15.903 356 1HD LYS 14 2HD LYS 14 -5.389 -1.535 -14.648 357 2HD LYS 14 1HD LYS 14 -6.503 -1.334 -16.002 358 1HE LYS 14 2HE LYS 14 -7.148 -3.429 -13.954 359 2HE LYS 14 1HE LYS 14 -7.452 -1.727 -13.553 360 1HZ LYS 14 1HZ LYS 14 -9.373 -2.376 -14.674 361 2HZ LYS 14 2HZ LYS 14 -8.520 -3.305 -15.813 362 3HZ LYS 14 3HZ LYS 14 -8.461 -1.609 -15.881 363 H LYS 15 H LYS 15 -3.486 -2.132 -16.655 364 HA LYS 15 HA LYS 15 -2.479 -2.614 -19.438 365 1HB LYS 15 2HB LYS 15 -4.635 -0.846 -18.292 366 2HB LYS 15 1HB LYS 15 -3.886 -0.453 -19.839 367 1HG LYS 15 2HG LYS 15 -4.564 -3.265 -19.739 368 2HG LYS 15 1HG LYS 15 -5.984 -2.279 -19.392 369 1HD LYS 15 2HD LYS 15 -5.455 -0.911 -21.431 370 2HD LYS 15 1HD LYS 15 -4.169 -2.056 -21.809 371 1HE LYS 15 2HE LYS 15 -5.639 -3.632 -22.559 372 2HE LYS 15 1HE LYS 15 -6.788 -3.312 -21.245 373 1HZ LYS 15 1HZ LYS 15 -6.372 -1.165 -23.167 374 2HZ LYS 15 2HZ LYS 15 -7.797 -1.664 -22.389 375 3HZ LYS 15 3HZ LYS 15 -7.220 -2.519 -23.739 376 HA PRO 16 HA PRO 16 0.736 0.091 -17.953 377 1HB PRO 16 2HB PRO 16 2.136 0.208 -20.301 378 2HB PRO 16 1HB PRO 16 2.202 -1.188 -19.207 379 1HG PRO 16 2HG PRO 16 0.669 -0.833 -21.730 380 2HG PRO 16 1HG PRO 16 1.492 -2.267 -21.101 381 1HD PRO 16 2HD PRO 16 -1.210 -1.887 -20.962 382 2HD PRO 16 1HD PRO 16 -0.293 -2.888 -19.815 383 H ILE 17 H ILE 17 -0.181 2.138 -17.688 384 HA ILE 17 HA ILE 17 -1.142 3.652 -20.038 385 HB ILE 17 HB ILE 17 -0.959 4.575 -17.185 386 1HG1 ILE 17 2HG1 ILE 17 -3.506 3.552 -17.468 387 2HG1 ILE 17 1HG1 ILE 17 -2.519 2.348 -18.296 388 1HG2 ILE 17 1HG2 ILE 17 -1.935 6.347 -18.207 389 2HG2 ILE 17 2HG2 ILE 17 -3.381 5.338 -18.257 390 3HG2 ILE 17 3HG2 ILE 17 -2.307 5.410 -19.655 391 1HD1 ILE 17 1HD1 ILE 17 -2.576 3.096 -15.421 392 2HD1 ILE 17 2HD1 ILE 17 -0.988 2.746 -16.106 393 3HD1 ILE 17 3HD1 ILE 17 -2.265 1.531 -16.172 394 H TYR 18 H TYR 18 -0.463 6.175 -19.729 395 HA TYR 18 HA TYR 18 2.302 6.610 -18.894 396 1HB TYR 18 2HB TYR 18 1.909 5.372 -21.330 397 2HB TYR 18 1HB TYR 18 2.037 7.069 -21.792 398 HD1 TYR 18 HD1 TYR 18 3.656 5.275 -18.942 399 HD2 TYR 18 HD2 TYR 18 4.205 7.275 -22.704 400 HE1 TYR 18 HE1 TYR 18 6.115 5.176 -18.636 401 HE2 TYR 18 HE2 TYR 18 6.664 7.176 -22.397 402 HH TYR 18 HH TYR 18 8.314 5.912 -21.177 403 H LYS 19 H LYS 19 0.398 8.124 -17.936 404 HA LYS 19 HA LYS 19 0.300 10.581 -19.659 405 1HB LYS 19 2HB LYS 19 -1.835 9.194 -19.186 406 2HB LYS 19 1HB LYS 19 -1.706 9.807 -17.536 407 1HG LYS 19 2HG LYS 19 -3.017 11.476 -18.443 408 2HG LYS 19 1HG LYS 19 -1.424 12.133 -18.820 409 1HD LYS 19 2HD LYS 19 -1.515 11.249 -21.067 410 2HD LYS 19 1HD LYS 19 -2.995 10.360 -20.709 411 1HE LYS 19 2HE LYS 19 -4.279 12.376 -20.526 412 2HE LYS 19 1HE LYS 19 -2.817 13.381 -20.503 413 1HZ LYS 19 1HZ LYS 19 -3.743 13.343 -22.723 414 2HZ LYS 19 2HZ LYS 19 -3.718 11.645 -22.742 415 3HZ LYS 19 3HZ LYS 19 -2.262 12.519 -22.713 416 H LYS 20 H LYS 20 0.669 12.573 -18.568 417 HA LYS 20 HA LYS 20 0.791 13.023 -15.790 418 1HB LYS 20 2HB LYS 20 2.840 11.297 -16.791 419 2HB LYS 20 1HB LYS 20 3.602 12.811 -16.300 420 1HG LYS 20 2HG LYS 20 1.594 11.430 -14.523 421 2HG LYS 20 1HG LYS 20 3.301 10.984 -14.492 422 1HD LYS 20 2HD LYS 20 3.205 13.817 -14.434 423 2HD LYS 20 1HD LYS 20 2.015 13.248 -13.262 424 1HE LYS 20 2HE LYS 20 4.382 11.624 -13.031 425 2HE LYS 20 1HE LYS 20 4.834 13.338 -12.927 426 1HZ LYS 20 1HZ LYS 20 2.760 11.914 -11.353 427 2HZ LYS 20 2HZ LYS 20 2.873 13.607 -11.414 428 3HZ LYS 20 3HZ LYS 20 4.148 12.691 -10.766 429 H ALA 21 H ALA 21 1.420 15.183 -15.374 430 HA ALA 21 HA ALA 21 3.046 16.731 -17.223 431 1HB ALA 21 1HB ALA 21 1.251 16.796 -18.696 432 2HB ALA 21 2HB ALA 21 0.869 18.197 -17.695 433 3HB ALA 21 3HB ALA 21 0.058 16.658 -17.405 434 HA PRO 22 HA PRO 22 2.905 18.622 -13.127 435 1HB PRO 22 2HB PRO 22 5.311 19.900 -13.384 436 2HB PRO 22 1HB PRO 22 5.170 18.188 -12.938 437 1HG PRO 22 2HG PRO 22 5.829 19.410 -15.569 438 2HG PRO 22 1HG PRO 22 6.478 17.950 -14.807 439 1HD PRO 22 2HD PRO 22 4.594 17.922 -16.788 440 2HD PRO 22 1HD PRO 22 4.773 16.636 -15.573 441 H THR 23 H THR 23 3.739 21.150 -12.671 442 HA THR 23 HA THR 23 3.363 23.084 -14.726 443 HB THR 23 HB THR 23 1.133 22.161 -14.905 444 HG1 THR 23 HG1 THR 23 0.174 24.037 -14.781 445 1HG2 THR 23 1HG2 THR 23 1.152 22.407 -11.895 446 2HG2 THR 23 2HG2 THR 23 0.902 20.956 -12.865 447 3HG2 THR 23 3HG2 THR 23 -0.340 22.206 -12.813 448 H ASN 24 H ASN 24 1.601 24.747 -12.869 449 HA ASN 24 HA ASN 24 3.445 26.314 -11.543 450 1HB ASN 24 2HB ASN 24 0.744 26.180 -11.740 451 2HB ASN 24 1HB ASN 24 0.944 25.701 -10.055 452 1HD2 ASN 24 1HD2 ASN 24 -0.279 28.184 -10.652 453 2HD2 ASN 24 2HD2 ASN 24 0.763 29.441 -10.192 454 H GLU 25 H GLU 25 4.835 25.999 -9.842 455 HA GLU 25 HA GLU 25 4.177 24.021 -7.733 456 1HB GLU 25 2HB GLU 25 6.024 23.625 -9.963 457 2HB GLU 25 1HB GLU 25 6.822 23.425 -8.402 458 1HG GLU 25 2HG GLU 25 4.306 22.141 -8.186 459 2HG GLU 25 1HG GLU 25 4.997 21.634 -9.729 460 H PHE 26 H PHE 26 4.799 27.031 -8.161 461 HA PHE 26 HA PHE 26 7.221 27.902 -7.150 462 1HB PHE 26 2HB PHE 26 4.597 28.863 -7.473 463 2HB PHE 26 1HB PHE 26 5.001 29.192 -5.788 464 HD1 PHE 26 HD1 PHE 26 4.889 30.829 -8.707 465 HD2 PHE 26 HD2 PHE 26 7.836 29.721 -5.784 466 HE1 PHE 26 HE1 PHE 26 6.309 32.735 -9.416 467 HE2 PHE 26 HE2 PHE 26 9.255 31.626 -6.493 468 HZ PHE 26 HZ PHE 26 8.493 33.133 -8.309 469 H TYR 27 H TYR 27 8.200 27.998 -5.099 470 HA TYR 27 HA TYR 27 6.748 27.043 -2.711 471 1HB TYR 27 2HB TYR 27 8.328 25.343 -4.409 472 2HB TYR 27 1HB TYR 27 9.132 25.493 -2.847 473 HD1 TYR 27 HD1 TYR 27 7.905 24.918 -0.745 474 HD2 TYR 27 HD2 TYR 27 6.243 24.175 -4.635 475 HE1 TYR 27 HE1 TYR 27 6.248 23.371 0.258 476 HE2 TYR 27 HE2 TYR 27 4.586 22.627 -3.632 477 HH TYR 27 HH TYR 27 4.510 21.173 -1.461 478 H ALA 28 HN ALA 28 9.838 28.038 -4.173 479 HA ALA 28 HA ALA 28 10.415 29.603 -1.692 480 1HB ALA 28 1HB ALA 28 11.544 27.290 -1.851 481 2HB ALA 28 2HB ALA 28 12.604 28.667 -1.554 482 3HB ALA 28 3HB ALA 28 12.490 27.975 -3.171 Start of MODEL 5 1 1H ARG 1 1HT ARG 1 0.269 -30.882 -39.390 2 2H ARG 1 2HT ARG 1 -0.856 -32.130 -39.138 3 3H ARG 1 3HT ARG 1 0.809 -32.455 -39.056 4 HA ARG 1 HA ARG 1 0.249 -32.338 -36.822 5 1HB ARG 1 2HB ARG 1 0.898 -29.480 -37.592 6 2HB ARG 1 1HB ARG 1 1.399 -30.341 -36.137 7 1HG ARG 1 2HG ARG 1 2.630 -31.964 -37.651 8 2HG ARG 1 1HG ARG 1 2.306 -30.850 -38.979 9 1HD ARG 1 2HD ARG 1 3.373 -29.032 -37.474 10 2HD ARG 1 1HD ARG 1 4.009 -30.390 -36.525 11 HE ARG 1 HE ARG 1 4.444 -30.811 -39.353 12 1HH1 ARG 1 1HH2 ARG 1 6.430 -31.480 -37.215 13 2HH1 ARG 1 2HH2 ARG 1 7.671 -30.302 -37.488 14 1HH2 ARG 1 1HH1 ARG 1 5.665 -28.253 -39.439 15 2HH2 ARG 1 2HH1 ARG 1 7.238 -28.476 -38.747 16 H MET 2 H MET 2 -1.893 -32.516 -36.143 17 HA MET 2 HA MET 2 -3.375 -29.995 -35.703 18 1HB MET 2 2HB MET 2 -4.349 -32.283 -37.445 19 2HB MET 2 1HB MET 2 -5.371 -30.953 -36.898 20 1HG MET 2 2HG MET 2 -3.639 -29.386 -37.947 21 2HG MET 2 1HG MET 2 -2.970 -30.818 -38.729 22 1HE MET 2 1HE MET 2 -4.112 -28.320 -40.504 23 2HE MET 2 2HE MET 2 -4.655 -29.419 -41.769 24 3HE MET 2 3HE MET 2 -3.183 -29.780 -40.872 25 H LYS 3 H LYS 3 -3.773 -30.260 -33.528 26 HA LYS 3 HA LYS 3 -4.709 -32.950 -32.586 27 1HB LYS 3 2HB LYS 3 -3.206 -30.668 -31.280 28 2HB LYS 3 1HB LYS 3 -3.868 -32.018 -30.359 29 1HG LYS 3 2HG LYS 3 -2.430 -33.033 -32.639 30 2HG LYS 3 1HG LYS 3 -1.394 -31.927 -31.734 31 1HD LYS 3 2HD LYS 3 -1.089 -33.490 -30.148 32 2HD LYS 3 1HD LYS 3 -2.828 -33.545 -29.858 33 1HE LYS 3 2HE LYS 3 -2.976 -35.563 -30.873 34 2HE LYS 3 1HE LYS 3 -2.175 -34.931 -32.325 35 1HZ LYS 3 1HZ LYS 3 -0.509 -35.273 -29.963 36 2HZ LYS 3 2HZ LYS 3 -0.143 -35.550 -31.598 37 3HZ LYS 3 3HZ LYS 3 -1.026 -36.702 -30.716 38 H LYS 4 H LYS 4 -5.803 -32.184 -30.161 39 HA LYS 4 HA LYS 4 -7.793 -30.043 -30.699 40 1HB LYS 4 2HB LYS 4 -8.608 -32.865 -29.964 41 2HB LYS 4 1HB LYS 4 -9.649 -31.549 -30.509 42 1HG LYS 4 2HG LYS 4 -8.478 -31.566 -32.704 43 2HG LYS 4 1HG LYS 4 -7.520 -32.943 -32.158 44 1HD LYS 4 2HD LYS 4 -9.661 -34.196 -31.765 45 2HD LYS 4 1HD LYS 4 -10.529 -32.849 -32.503 46 1HE LYS 4 2HE LYS 4 -9.414 -33.185 -34.619 47 2HE LYS 4 1HE LYS 4 -8.302 -34.368 -33.903 48 1HZ LYS 4 1HZ LYS 4 -11.139 -34.841 -33.476 49 2HZ LYS 4 2HZ LYS 4 -9.890 -35.949 -33.792 50 3HZ LYS 4 3HZ LYS 4 -10.589 -35.066 -35.064 51 H LYS 5 H LYS 5 -5.989 -29.589 -28.820 52 HA LYS 5 HA LYS 5 -7.466 -29.582 -26.326 53 1HB LYS 5 2HB LYS 5 -5.730 -31.073 -25.164 54 2HB LYS 5 1HB LYS 5 -6.863 -31.897 -26.236 55 1HG LYS 5 2HG LYS 5 -5.157 -31.717 -28.073 56 2HG LYS 5 1HG LYS 5 -4.019 -31.080 -26.886 57 1HD LYS 5 2HD LYS 5 -3.478 -33.204 -26.373 58 2HD LYS 5 1HD LYS 5 -5.100 -33.394 -25.708 59 1HE LYS 5 2HE LYS 5 -5.420 -33.609 -28.503 60 2HE LYS 5 1HE LYS 5 -3.991 -34.583 -28.103 61 1HZ LYS 5 1HZ LYS 5 -6.736 -34.811 -27.062 62 2HZ LYS 5 2HZ LYS 5 -5.431 -35.311 -26.097 63 3HZ LYS 5 3HZ LYS 5 -5.697 -36.033 -27.612 64 H ASP 6 H ASP 6 -6.789 -27.698 -25.387 65 HA ASP 6 HA ASP 6 -3.934 -27.061 -25.145 66 1HB ASP 6 2HB ASP 6 -5.715 -25.944 -27.229 67 2HB ASP 6 1HB ASP 6 -4.760 -24.748 -26.352 68 H GLU 7 H GLU 7 -3.895 -24.574 -24.283 69 HA GLU 7 HA GLU 7 -6.182 -23.592 -22.847 70 1HB GLU 7 2HB GLU 7 -4.705 -25.833 -21.735 71 2HB GLU 7 1HB GLU 7 -4.642 -24.443 -20.650 72 1HG GLU 7 2HG GLU 7 -6.914 -24.452 -20.277 73 2HG GLU 7 1HG GLU 7 -7.280 -25.093 -21.879 74 H GLY 8 H GLY 8 -5.607 -21.716 -21.528 75 1HA GLY 8 2HA GLY 8 -2.849 -20.923 -21.151 76 2HA GLY 8 1HA GLY 8 -3.582 -20.068 -22.510 77 H SER 9 H SER 9 -3.974 -20.715 -19.037 78 HA SER 9 HA SER 9 -6.088 -18.812 -18.623 79 1HB SER 9 2HB SER 9 -4.113 -20.350 -16.978 80 2HB SER 9 1HB SER 9 -5.035 -19.066 -16.201 81 HG SER 9 HG SER 9 -5.845 -21.523 -17.179 82 H TYR 10 H TYR 10 -4.528 -17.291 -20.164 83 HA TYR 10 HA TYR 10 -2.817 -15.621 -18.363 84 1HB TYR 10 2HB TYR 10 -1.789 -14.885 -20.450 85 2HB TYR 10 1HB TYR 10 -1.882 -16.646 -20.460 86 HD1 TYR 10 HD1 TYR 10 -3.313 -17.824 -21.998 87 HD2 TYR 10 HD2 TYR 10 -3.406 -13.535 -21.774 88 HE1 TYR 10 HE1 TYR 10 -4.652 -17.744 -24.083 89 HE2 TYR 10 HE2 TYR 10 -4.745 -13.456 -23.861 90 HH TYR 10 HH TYR 10 -4.950 -15.764 -26.001 91 H ASP 11 H ASP 11 -3.134 -13.303 -18.400 92 HA ASP 11 HA ASP 11 -5.251 -12.063 -19.932 93 1HB ASP 11 2HB ASP 11 -5.764 -13.304 -17.312 94 2HB ASP 11 1HB ASP 11 -6.327 -11.636 -17.431 95 H LEU 12 H LEU 12 -5.839 -9.885 -18.381 96 HA LEU 12 HA LEU 12 -4.936 -7.820 -17.671 97 1HB LEU 12 2HB LEU 12 -2.966 -9.815 -16.508 98 2HB LEU 12 1HB LEU 12 -3.043 -8.114 -16.044 99 HG LEU 12 HG LEU 12 -5.340 -10.082 -15.814 100 1HD1 LEU 12 1HD1 LEU 12 -4.398 -10.710 -13.869 101 2HD1 LEU 12 2HD1 LEU 12 -4.533 -9.046 -13.301 102 3HD1 LEU 12 3HD1 LEU 12 -3.065 -9.584 -14.118 103 1HD2 LEU 12 1HD2 LEU 12 -6.371 -8.235 -14.493 104 2HD2 LEU 12 2HD2 LEU 12 -6.086 -7.776 -16.172 105 3HD2 LEU 12 3HD2 LEU 12 -4.999 -7.205 -14.905 106 H GLY 13 H GLY 13 -3.107 -6.329 -18.084 107 1HA GLY 13 2HA GLY 13 -1.558 -7.182 -20.479 108 2HA GLY 13 1HA GLY 13 -1.878 -5.509 -20.016 109 H LYS 14 H LYS 14 -0.622 -4.573 -18.308 110 HA LYS 14 HA LYS 14 1.425 -6.079 -16.903 111 1HB LYS 14 2HB LYS 14 3.296 -4.828 -18.176 112 2HB LYS 14 1HB LYS 14 2.518 -6.171 -19.013 113 1HG LYS 14 2HG LYS 14 0.958 -4.501 -20.079 114 2HG LYS 14 1HG LYS 14 1.945 -3.219 -19.376 115 1HD LYS 14 2HD LYS 14 3.362 -5.348 -20.912 116 2HD LYS 14 1HD LYS 14 2.421 -4.173 -21.833 117 1HE LYS 14 2HE LYS 14 4.042 -2.619 -21.554 118 2HE LYS 14 1HE LYS 14 3.948 -2.805 -19.791 119 1HZ LYS 14 1HZ LYS 14 6.114 -3.491 -20.969 120 2HZ LYS 14 2HZ LYS 14 5.244 -4.868 -21.455 121 3HZ LYS 14 3HZ LYS 14 5.464 -4.538 -19.803 122 H LYS 15 H LYS 15 2.445 -4.792 -15.330 123 HA LYS 15 HA LYS 15 1.545 -2.969 -13.751 124 1HB LYS 15 2HB LYS 15 3.733 -1.785 -13.721 125 2HB LYS 15 1HB LYS 15 3.921 -3.533 -13.868 126 1HG LYS 15 2HG LYS 15 3.768 -2.854 -16.490 127 2HG LYS 15 1HG LYS 15 4.516 -1.396 -15.836 128 1HD LYS 15 2HD LYS 15 6.381 -2.736 -16.283 129 2HD LYS 15 1HD LYS 15 6.080 -3.085 -14.580 130 1HE LYS 15 2HE LYS 15 5.631 -5.263 -15.032 131 2HE LYS 15 1HE LYS 15 4.509 -4.820 -16.334 132 1HZ LYS 15 1HZ LYS 15 7.330 -4.302 -16.822 133 2HZ LYS 15 2HZ LYS 15 6.130 -4.862 -17.886 134 3HZ LYS 15 3HZ LYS 15 6.875 -5.935 -16.799 135 HA PRO 16 HA PRO 16 -0.288 0.207 -16.356 136 1HB PRO 16 2HB PRO 16 -1.698 1.384 -14.329 137 2HB PRO 16 1HB PRO 16 -2.240 -0.096 -15.146 138 1HG PRO 16 2HG PRO 16 -0.880 0.226 -12.519 139 2HG PRO 16 1HG PRO 16 -2.179 -0.881 -12.990 140 1HD PRO 16 2HD PRO 16 0.430 -1.636 -12.765 141 2HD PRO 16 1HD PRO 16 -0.729 -2.422 -13.860 142 H ILE 17 H ILE 17 1.682 1.410 -16.708 143 HA ILE 17 HA ILE 17 2.871 2.993 -14.564 144 HB ILE 17 HB ILE 17 3.359 3.435 -17.479 145 1HG1 ILE 17 2HG1 ILE 17 5.094 1.387 -16.770 146 2HG1 ILE 17 1HG1 ILE 17 3.554 0.871 -16.081 147 1HG2 ILE 17 1HG2 ILE 17 5.768 3.169 -16.264 148 2HG2 ILE 17 2HG2 ILE 17 4.790 3.730 -14.908 149 3HG2 ILE 17 3HG2 ILE 17 4.901 4.701 -16.376 150 1HD1 ILE 17 1HD1 ILE 17 4.202 1.496 -18.960 151 2HD1 ILE 17 2HD1 ILE 17 2.539 1.501 -18.374 152 3HD1 ILE 17 3HD1 ILE 17 3.502 0.023 -18.287 153 H TYR 18 H TYR 18 3.112 5.415 -14.849 154 HA TYR 18 HA TYR 18 0.994 6.766 -16.401 155 1HB TYR 18 2HB TYR 18 0.249 5.825 -14.025 156 2HB TYR 18 1HB TYR 18 1.055 7.283 -13.449 157 HD1 TYR 18 HD1 TYR 18 0.029 9.410 -13.649 158 HD2 TYR 18 HD2 TYR 18 -1.561 6.054 -15.806 159 HE1 TYR 18 HE1 TYR 18 -1.948 10.762 -14.294 160 HE2 TYR 18 HE2 TYR 18 -3.539 7.405 -16.450 161 HH TYR 18 HH TYR 18 -3.830 10.821 -15.464 162 H LYS 19 H LYS 19 2.995 7.707 -17.335 163 HA LYS 19 HA LYS 19 3.941 10.030 -15.731 164 1HB LYS 19 2HB LYS 19 5.588 8.385 -15.227 165 2HB LYS 19 1HB LYS 19 5.599 7.780 -16.884 166 1HG LYS 19 2HG LYS 19 6.826 9.601 -17.683 167 2HG LYS 19 1HG LYS 19 6.341 10.642 -16.343 168 1HD LYS 19 2HD LYS 19 7.667 9.113 -14.813 169 2HD LYS 19 1HD LYS 19 8.305 8.339 -16.264 170 1HE LYS 19 2HE LYS 19 8.927 10.772 -17.003 171 2HE LYS 19 1HE LYS 19 8.761 11.149 -15.277 172 1HZ LYS 19 1HZ LYS 19 10.251 9.333 -14.755 173 2HZ LYS 19 2HZ LYS 19 11.017 10.410 -15.822 174 3HZ LYS 19 3HZ LYS 19 10.400 8.936 -16.397 175 H LYS 20 H LYS 20 4.861 11.714 -17.098 176 HA LYS 20 HA LYS 20 5.243 11.530 -19.907 177 1HB LYS 20 2HB LYS 20 2.605 11.177 -19.209 178 2HB LYS 20 1HB LYS 20 2.661 12.908 -19.543 179 1HG LYS 20 2HG LYS 20 2.140 11.726 -21.607 180 2HG LYS 20 1HG LYS 20 3.763 12.403 -21.731 181 1HD LYS 20 2HD LYS 20 4.758 10.252 -21.188 182 2HD LYS 20 1HD LYS 20 3.166 9.551 -20.896 183 1HE LYS 20 2HE LYS 20 4.215 9.080 -23.206 184 2HE LYS 20 1HE LYS 20 2.563 9.730 -23.218 185 1HZ LYS 20 1HZ LYS 20 4.874 11.558 -23.169 186 2HZ LYS 20 2HZ LYS 20 3.296 11.843 -23.731 187 3HZ LYS 20 3HZ LYS 20 4.367 10.888 -24.642 188 H ALA 21 H ALA 21 6.297 13.404 -20.495 189 HA ALA 21 HA ALA 21 5.542 16.028 -19.494 190 1HB ALA 21 1HB ALA 21 6.581 15.617 -17.482 191 2HB ALA 21 2HB ALA 21 8.017 16.065 -18.402 192 3HB ALA 21 3HB ALA 21 7.620 14.364 -18.163 193 HA PRO 22 HA PRO 22 7.831 16.306 -23.374 194 1HB PRO 22 2HB PRO 22 6.720 18.693 -24.122 195 2HB PRO 22 1HB PRO 22 5.907 17.133 -24.357 196 1HG PRO 22 2HG PRO 22 5.477 19.193 -22.255 197 2HG PRO 22 1HG PRO 22 4.299 18.172 -23.095 198 1HD PRO 22 2HD PRO 22 5.200 17.684 -20.560 199 2HD PRO 22 1HD PRO 22 4.598 16.422 -21.657 200 H THR 23 H THR 23 8.844 18.639 -24.289 201 HA THR 23 HA THR 23 9.833 20.422 -22.239 202 HB THR 23 HB THR 23 11.477 18.083 -23.211 203 HG1 THR 23 HG1 THR 23 11.842 17.907 -20.977 204 1HG2 THR 23 1HG2 THR 23 13.475 19.161 -22.344 205 2HG2 THR 23 2HG2 THR 23 12.541 20.575 -21.856 206 3HG2 THR 23 3HG2 THR 23 12.752 20.206 -23.567 207 H ASN 24 H ASN 24 11.435 21.978 -23.185 208 HA ASN 24 HA ASN 24 11.979 21.908 -26.054 209 1HB ASN 24 2HB ASN 24 9.674 22.477 -26.236 210 2HB ASN 24 1HB ASN 24 9.760 23.581 -24.863 211 1HD2 ASN 24 1HD2 ASN 24 10.746 25.699 -25.210 212 2HD2 ASN 24 2HD2 ASN 24 11.026 26.297 -26.774 213 H GLU 25 H GLU 25 13.002 24.066 -26.730 214 HA GLU 25 HA GLU 25 13.971 25.773 -24.520 215 1HB GLU 25 2HB GLU 25 15.326 23.476 -25.070 216 2HB GLU 25 1HB GLU 25 16.123 24.589 -26.183 217 1HG GLU 25 2HG GLU 25 17.235 24.528 -23.956 218 2HG GLU 25 1HG GLU 25 16.607 26.130 -24.346 219 H PHE 26 H PHE 26 15.330 27.588 -25.421 220 HA PHE 26 HA PHE 26 14.364 28.330 -28.142 221 1HB PHE 26 2HB PHE 26 13.856 29.913 -26.423 222 2HB PHE 26 1HB PHE 26 15.486 29.815 -25.754 223 HD1 PHE 26 HD1 PHE 26 17.150 31.316 -26.460 224 HD2 PHE 26 HD2 PHE 26 13.627 30.775 -28.858 225 HE1 PHE 26 HE1 PHE 26 17.872 33.172 -27.940 226 HE2 PHE 26 HE2 PHE 26 14.349 32.630 -30.338 227 HZ PHE 26 HZ PHE 26 16.472 33.829 -29.878 228 H TYR 27 H TYR 27 16.022 29.641 -29.455 229 HA TYR 27 HA TYR 27 18.842 28.814 -28.985 230 1HB TYR 27 2HB TYR 27 16.957 27.735 -30.946 231 2HB TYR 27 1HB TYR 27 18.423 28.362 -31.702 232 HD1 TYR 27 HD1 TYR 27 16.979 25.672 -29.790 233 HD2 TYR 27 HD2 TYR 27 20.686 27.605 -30.775 234 HE1 TYR 27 HE1 TYR 27 18.225 23.660 -29.049 235 HE2 TYR 27 HE2 TYR 27 21.933 25.592 -30.033 236 HH TYR 27 HH TYR 27 20.926 23.411 -28.123 237 H ALA 28 HN ALA 28 20.332 30.023 -30.466 238 HA ALA 28 HA ALA 28 19.224 32.726 -31.087 239 1HB ALA 28 1HB ALA 28 22.009 32.752 -31.289 240 2HB ALA 28 2HB ALA 28 21.689 31.591 -30.001 241 3HB ALA 28 3HB ALA 28 21.072 33.239 -29.877 242 1H ARG 1 1HT ARG 1 -12.364 -24.988 8.722 243 2H ARG 1 2HT ARG 1 -11.881 -26.616 8.653 244 3H ARG 1 3HT ARG 1 -13.529 -26.212 8.567 245 HA ARG 1 HA ARG 1 -13.034 -26.614 6.350 246 1HB ARG 1 2HB ARG 1 -12.389 -23.681 6.751 247 2HB ARG 1 1HB ARG 1 -13.248 -24.417 5.398 248 1HG ARG 1 2HG ARG 1 -15.008 -25.170 7.065 249 2HG ARG 1 1HG ARG 1 -14.206 -24.145 8.256 250 1HD ARG 1 2HD ARG 1 -14.444 -22.244 6.515 251 2HD ARG 1 1HD ARG 1 -15.621 -23.309 5.720 252 HE ARG 1 HE ARG 1 -16.115 -23.159 8.565 253 1HH1 ARG 1 1HH2 ARG 1 -18.256 -23.178 6.472 254 2HH1 ARG 1 2HH2 ARG 1 -18.872 -21.562 6.567 255 1HH2 ARG 1 1HH1 ARG 1 -16.135 -20.337 8.308 256 2HH2 ARG 1 2HH1 ARG 1 -17.672 -19.953 7.606 257 H MET 2 H MET 2 -11.189 -27.764 5.756 258 HA MET 2 HA MET 2 -8.790 -26.184 5.054 259 1HB MET 2 2HB MET 2 -8.830 -28.438 7.085 260 2HB MET 2 1HB MET 2 -7.356 -27.744 6.409 261 1HG MET 2 2HG MET 2 -8.233 -25.475 7.213 262 2HG MET 2 1HG MET 2 -9.424 -26.384 8.144 263 1HE MET 2 1HE MET 2 -7.282 -24.410 9.633 264 2HE MET 2 2HE MET 2 -7.221 -25.474 11.036 265 3HE MET 2 3HE MET 2 -8.732 -25.283 10.151 266 H LYS 3 H LYS 3 -8.601 -26.853 2.939 267 HA LYS 3 HA LYS 3 -8.921 -29.778 2.354 268 1HB LYS 3 2HB LYS 3 -9.351 -27.250 0.742 269 2HB LYS 3 1HB LYS 3 -9.348 -28.855 0.009 270 1HG LYS 3 2HG LYS 3 -11.018 -28.880 2.355 271 2HG LYS 3 1HG LYS 3 -11.511 -27.558 1.296 272 1HD LYS 3 2HD LYS 3 -12.494 -29.024 -0.096 273 2HD LYS 3 1HD LYS 3 -10.951 -29.845 -0.331 274 1HE LYS 3 2HE LYS 3 -11.644 -31.596 0.925 275 2HE LYS 3 1HE LYS 3 -12.062 -30.514 2.268 276 1HZ LYS 3 1HZ LYS 3 -13.780 -30.401 -0.079 277 2HZ LYS 3 2HZ LYS 3 -14.185 -30.296 1.568 278 3HZ LYS 3 3HZ LYS 3 -13.897 -31.811 0.855 279 H LYS 4 H LYS 4 -7.672 -29.847 -0.115 280 HA LYS 4 HA LYS 4 -4.949 -28.704 0.211 281 1HB LYS 4 2HB LYS 4 -5.427 -31.672 -0.154 282 2HB LYS 4 1HB LYS 4 -3.912 -30.866 0.255 283 1HG LYS 4 2HG LYS 4 -4.919 -30.119 2.404 284 2HG LYS 4 1HG LYS 4 -6.385 -31.014 2.003 285 1HD LYS 4 2HD LYS 4 -4.988 -33.095 1.823 286 2HD LYS 4 1HD LYS 4 -3.611 -32.165 2.415 287 1HE LYS 4 2HE LYS 4 -4.705 -31.737 4.526 288 2HE LYS 4 1HE LYS 4 -6.233 -32.413 3.929 289 1HZ LYS 4 1HZ LYS 4 -3.876 -34.093 3.639 290 2HZ LYS 4 2HZ LYS 4 -5.468 -34.519 4.053 291 3HZ LYS 4 3HZ LYS 4 -4.426 -33.869 5.227 292 H LYS 5 H LYS 5 -6.442 -27.760 -1.757 293 HA LYS 5 HA LYS 5 -5.170 -28.681 -4.192 294 1HB LYS 5 2HB LYS 5 -7.405 -29.424 -5.210 295 2HB LYS 5 1HB LYS 5 -6.699 -30.514 -4.017 296 1HG LYS 5 2HG LYS 5 -8.117 -29.408 -2.262 297 2HG LYS 5 1HG LYS 5 -8.910 -28.497 -3.548 298 1HD LYS 5 2HD LYS 5 -10.315 -30.237 -3.813 299 2HD LYS 5 1HD LYS 5 -8.944 -31.175 -4.407 300 1HE LYS 5 2HE LYS 5 -8.669 -31.165 -1.598 301 2HE LYS 5 1HE LYS 5 -10.387 -31.482 -1.916 302 1HZ LYS 5 1HZ LYS 5 -8.025 -32.976 -2.847 303 2HZ LYS 5 2HZ LYS 5 -9.446 -32.989 -3.779 304 3HZ LYS 5 3HZ LYS 5 -9.469 -33.566 -2.181 305 H ASP 6 H ASP 6 -5.009 -26.816 -5.370 306 HA ASP 6 HA ASP 6 -7.332 -25.064 -5.764 307 1HB ASP 6 2HB ASP 6 -5.189 -24.565 -3.784 308 2HB ASP 6 1HB ASP 6 -5.571 -23.193 -4.824 309 H GLU 7 H GLU 7 -6.337 -22.920 -6.922 310 HA GLU 7 HA GLU 7 -3.889 -23.182 -8.404 311 1HB GLU 7 2HB GLU 7 -6.206 -24.702 -9.277 312 2HB GLU 7 1HB GLU 7 -5.706 -23.559 -10.524 313 1HG GLU 7 2HG GLU 7 -3.662 -24.575 -10.833 314 2HG GLU 7 1HG GLU 7 -3.558 -25.112 -9.155 315 H GLY 8 H GLY 8 -3.651 -21.413 -9.955 316 1HA GLY 8 2HA GLY 8 -5.822 -19.578 -10.500 317 2HA GLY 8 1HA GLY 8 -4.759 -18.957 -9.236 318 H SER 9 H SER 9 -4.775 -20.125 -12.593 319 HA SER 9 HA SER 9 -2.065 -19.363 -13.178 320 1HB SER 9 2HB SER 9 -4.551 -20.106 -14.677 321 2HB SER 9 1HB SER 9 -3.192 -19.438 -15.579 322 HG SER 9 HG SER 9 -3.474 -21.868 -14.290 323 H TYR 10 H TYR 10 -2.790 -17.150 -11.876 324 HA TYR 10 HA TYR 10 -3.681 -15.143 -13.910 325 1HB TYR 10 2HB TYR 10 -4.243 -13.794 -11.956 326 2HB TYR 10 1HB TYR 10 -4.905 -15.414 -11.731 327 HD1 TYR 10 HD1 TYR 10 -4.066 -16.890 -10.023 328 HD2 TYR 10 HD2 TYR 10 -2.171 -13.108 -10.763 329 HE1 TYR 10 HE1 TYR 10 -2.763 -17.135 -7.928 330 HE2 TYR 10 HE2 TYR 10 -0.867 -13.352 -8.667 331 HH TYR 10 HH TYR 10 -1.601 -15.251 -6.258 332 H ASP 11 H ASP 11 -2.412 -13.193 -14.147 333 HA ASP 11 HA ASP 11 0.073 -12.791 -12.721 334 1HB ASP 11 2HB ASP 11 -0.061 -14.440 -15.156 335 2HB ASP 11 1HB ASP 11 1.159 -13.167 -15.225 336 H LEU 12 H LEU 12 1.485 -11.274 -14.508 337 HA LEU 12 HA LEU 12 1.524 -9.123 -15.487 338 1HB LEU 12 2HB LEU 12 -1.138 -10.220 -16.453 339 2HB LEU 12 1HB LEU 12 -0.360 -8.783 -17.116 340 HG LEU 12 HG LEU 12 0.880 -11.550 -17.045 341 1HD1 LEU 12 1HD1 LEU 12 -0.292 -11.951 -18.923 342 2HD1 LEU 12 2HD1 LEU 12 0.519 -10.583 -19.686 343 3HD1 LEU 12 3HD1 LEU 12 -1.014 -10.343 -18.849 344 1HD2 LEU 12 1HD2 LEU 12 2.560 -10.488 -18.552 345 2HD2 LEU 12 2HD2 LEU 12 2.543 -9.753 -16.949 346 3HD2 LEU 12 3HD2 LEU 12 1.765 -8.933 -18.304 347 H GLY 13 H GLY 13 0.510 -6.959 -15.307 348 1HA GLY 13 2HA GLY 13 -1.187 -6.779 -12.868 349 2HA GLY 13 1HA GLY 13 -0.201 -5.468 -13.522 350 H LYS 14 H LYS 14 -0.990 -4.302 -15.364 351 HA LYS 14 HA LYS 14 -3.519 -4.957 -16.630 352 1HB LYS 14 2HB LYS 14 -4.648 -2.887 -15.568 353 2HB LYS 14 1HB LYS 14 -4.490 -4.322 -14.555 354 1HG LYS 14 2HG LYS 14 -2.341 -3.355 -13.657 355 2HG LYS 14 1HG LYS 14 -2.709 -1.871 -14.536 356 1HD LYS 14 2HD LYS 14 -4.854 -2.996 -12.792 357 2HD LYS 14 1HD LYS 14 -3.480 -2.229 -11.995 358 1HE LYS 14 2HE LYS 14 -4.295 -0.180 -12.504 359 2HE LYS 14 1HE LYS 14 -4.337 -0.600 -14.228 360 1HZ LYS 14 1HZ LYS 14 -6.556 -0.155 -13.034 361 2HZ LYS 14 2HZ LYS 14 -6.340 -1.701 -12.361 362 3HZ LYS 14 3HZ LYS 14 -6.444 -1.511 -14.047 363 H LYS 15 H LYS 15 -3.941 -3.561 -18.374 364 HA LYS 15 HA LYS 15 -2.398 -2.497 -20.138 365 1HB LYS 15 2HB LYS 15 -3.876 -0.510 -20.369 366 2HB LYS 15 1HB LYS 15 -4.784 -1.982 -20.017 367 1HG LYS 15 2HG LYS 15 -4.285 -1.120 -17.494 368 2HG LYS 15 1HG LYS 15 -4.363 0.427 -18.338 369 1HD LYS 15 2HD LYS 15 -6.607 0.068 -17.782 370 2HD LYS 15 1HD LYS 15 -6.529 -0.578 -19.422 371 1HE LYS 15 2HE LYS 15 -7.033 -2.669 -18.697 372 2HE LYS 15 1HE LYS 15 -5.793 -2.590 -17.429 373 1HZ LYS 15 1HZ LYS 15 -8.114 -0.870 -17.083 374 2HZ LYS 15 2HZ LYS 15 -7.237 -1.753 -15.927 375 3HZ LYS 15 3HZ LYS 15 -8.395 -2.531 -16.896 376 HA PRO 16 HA PRO 16 0.680 -0.107 -17.889 377 1HB PRO 16 2HB PRO 16 2.400 0.106 -20.005 378 2HB PRO 16 1HB PRO 16 2.286 -1.353 -19.000 379 1HG PRO 16 2HG PRO 16 1.120 -0.806 -21.683 380 2HG PRO 16 1HG PRO 16 1.839 -2.293 -21.046 381 1HD PRO 16 2HD PRO 16 -0.848 -1.892 -21.247 382 2HD PRO 16 1HD PRO 16 -0.103 -2.955 -20.034 383 H ILE 17 H ILE 17 -0.585 1.851 -17.737 384 HA ILE 17 HA ILE 17 -1.048 3.515 -20.090 385 HB ILE 17 HB ILE 17 -1.223 4.472 -17.263 386 1HG1 ILE 17 2HG1 ILE 17 -3.682 3.283 -17.766 387 2HG1 ILE 17 1HG1 ILE 17 -2.524 2.085 -18.346 388 1HG2 ILE 17 1HG2 ILE 17 -3.550 5.108 -18.502 389 2HG2 ILE 17 2HG2 ILE 17 -2.464 5.033 -19.889 390 3HG2 ILE 17 3HG2 ILE 17 -2.113 6.128 -18.553 391 1HD1 ILE 17 1HD1 ILE 17 -2.769 3.268 -15.581 392 2HD1 ILE 17 2HD1 ILE 17 -1.277 2.496 -16.119 393 3HD1 ILE 17 3HD1 ILE 17 -2.776 1.569 -16.052 394 H TYR 18 H TYR 18 -0.233 5.827 -20.107 395 HA TYR 18 HA TYR 18 2.301 6.330 -18.674 396 1HB TYR 18 2HB TYR 18 2.511 4.881 -20.897 397 2HB TYR 18 1HB TYR 18 2.383 6.463 -21.668 398 HD1 TYR 18 HD1 TYR 18 4.219 7.961 -21.699 399 HD2 TYR 18 HD2 TYR 18 4.296 4.535 -19.111 400 HE1 TYR 18 HE1 TYR 18 6.598 8.415 -21.171 401 HE2 TYR 18 HE2 TYR 18 6.676 4.988 -18.582 402 HH TYR 18 HH TYR 18 8.360 7.811 -19.967 403 H LYS 19 H LYS 19 0.911 8.135 -17.915 404 HA LYS 19 HA LYS 19 0.997 10.426 -19.814 405 1HB LYS 19 2HB LYS 19 -1.205 9.587 -20.158 406 2HB LYS 19 1HB LYS 19 -1.426 9.250 -18.441 407 1HG LYS 19 2HG LYS 19 -1.744 11.500 -17.902 408 2HG LYS 19 1HG LYS 19 -0.901 12.067 -19.344 409 1HD LYS 19 2HD LYS 19 -2.791 11.072 -20.712 410 2HD LYS 19 1HD LYS 19 -3.656 10.823 -19.195 411 1HE LYS 19 2HE LYS 19 -3.168 13.360 -18.773 412 2HE LYS 19 1HE LYS 19 -2.906 13.419 -20.528 413 1HZ LYS 19 1HZ LYS 19 -5.039 12.358 -20.866 414 2HZ LYS 19 2HZ LYS 19 -5.246 13.778 -19.957 415 3HZ LYS 19 3HZ LYS 19 -5.296 12.262 -19.192 416 H LYS 20 H LYS 20 0.914 12.494 -18.686 417 HA LYS 20 HA LYS 20 0.568 12.831 -15.887 418 1HB LYS 20 2HB LYS 20 2.787 11.312 -16.465 419 2HB LYS 20 1HB LYS 20 3.480 12.930 -16.345 420 1HG LYS 20 2HG LYS 20 3.506 11.897 -14.140 421 2HG LYS 20 1HG LYS 20 2.328 13.209 -14.142 422 1HD LYS 20 2HD LYS 20 0.500 11.633 -14.447 423 2HD LYS 20 1HD LYS 20 1.637 10.295 -14.609 424 1HE LYS 20 2HE LYS 20 0.551 10.596 -12.288 425 2HE LYS 20 1HE LYS 20 2.323 10.481 -12.311 426 1HZ LYS 20 1HZ LYS 20 1.003 13.094 -12.643 427 2HZ LYS 20 2HZ LYS 20 2.568 12.750 -12.077 428 3HZ LYS 20 3HZ LYS 20 1.220 12.457 -11.087 429 H ALA 21 H ALA 21 0.424 15.030 -15.558 430 HA ALA 21 HA ALA 21 2.192 16.945 -16.849 431 1HB ALA 21 1HB ALA 21 1.022 16.773 -18.823 432 2HB ALA 21 2HB ALA 21 -0.063 17.896 -18.003 433 3HB ALA 21 3HB ALA 21 -0.431 16.170 -18.024 434 HA PRO 22 HA PRO 22 0.344 18.634 -13.094 435 1HB PRO 22 2HB PRO 22 2.382 20.397 -12.612 436 2HB PRO 22 1HB PRO 22 2.464 18.680 -12.167 437 1HG PRO 22 2HG PRO 22 3.668 20.093 -14.491 438 2HG PRO 22 1HG PRO 22 4.325 18.779 -13.504 439 1HD PRO 22 2HD PRO 22 3.233 18.416 -15.983 440 2HD PRO 22 1HD PRO 22 3.272 17.161 -14.726 441 H THR 23 H THR 23 0.441 21.269 -12.497 442 HA THR 23 HA THR 23 0.244 23.040 -14.773 443 HB THR 23 HB THR 23 -2.208 21.756 -13.569 444 HG1 THR 23 HG1 THR 23 -2.676 21.481 -15.773 445 1HG2 THR 23 1HG2 THR 23 -3.585 23.465 -14.612 446 2HG2 THR 23 2HG2 THR 23 -2.154 24.279 -15.244 447 3HG2 THR 23 3HG2 THR 23 -2.453 24.244 -13.507 448 H ASN 24 H ASN 24 -0.521 25.231 -14.066 449 HA ASN 24 HA ASN 24 -0.964 25.746 -11.225 450 1HB ASN 24 2HB ASN 24 1.369 25.301 -11.052 451 2HB ASN 24 1HB ASN 24 1.720 26.162 -12.551 452 1HD2 ASN 24 1HD2 ASN 24 1.735 28.524 -12.489 453 2HD2 ASN 24 2HD2 ASN 24 1.777 29.368 -11.017 454 H GLU 25 H GLU 25 -0.957 28.198 -10.843 455 HA GLU 25 HA GLU 25 -1.171 29.873 -13.269 456 1HB GLU 25 2HB GLU 25 -3.357 28.452 -12.480 457 2HB GLU 25 1HB GLU 25 -3.577 29.923 -11.532 458 1HG GLU 25 2HG GLU 25 -4.671 30.071 -13.765 459 2HG GLU 25 1HG GLU 25 -3.412 31.290 -13.554 460 H PHE 26 H PHE 26 -1.609 32.187 -12.631 461 HA PHE 26 HA PHE 26 -0.346 32.773 -9.996 462 1HB PHE 26 2HB PHE 26 0.739 33.771 -11.880 463 2HB PHE 26 1HB PHE 26 -0.797 34.292 -12.574 464 HD1 PHE 26 HD1 PHE 26 -1.648 36.431 -12.100 465 HD2 PHE 26 HD2 PHE 26 1.378 34.743 -9.561 466 HE1 PHE 26 HE1 PHE 26 -1.474 38.582 -10.876 467 HE2 PHE 26 HE2 PHE 26 1.551 36.894 -8.338 468 HZ PHE 26 HZ PHE 26 0.125 38.813 -8.995 469 H TYR 27 H TYR 27 -1.254 34.812 -8.896 470 HA TYR 27 HA TYR 27 -4.172 35.208 -9.337 471 1HB TYR 27 2HB TYR 27 -2.868 33.678 -7.210 472 2HB TYR 27 1HB TYR 27 -3.909 34.953 -6.575 473 HD1 TYR 27 HD1 TYR 27 -3.793 31.695 -8.107 474 HD2 TYR 27 HD2 TYR 27 -6.304 35.121 -7.464 475 HE1 TYR 27 HE1 TYR 27 -5.794 30.328 -8.633 476 HE2 TYR 27 HE2 TYR 27 -8.305 33.753 -7.989 477 HH TYR 27 HH TYR 27 -8.371 31.136 -9.593 478 H ALA 28 HN ALA 28 -4.967 37.104 -8.054 479 HA ALA 28 HA ALA 28 -2.802 39.136 -7.735 480 1HB ALA 28 1HB ALA 28 -5.307 40.364 -7.612 481 2HB ALA 28 2HB ALA 28 -5.544 39.029 -8.742 482 3HB ALA 28 3HB ALA 28 -4.290 40.232 -9.048 Start of MODEL 6 1 1H ARG 1 1HT ARG 1 -30.316 -6.750 -20.074 2 2H ARG 1 2HT ARG 1 -31.765 -7.359 -19.429 3 3H ARG 1 3HT ARG 1 -31.189 -7.931 -20.921 4 HA ARG 1 HA ARG 1 -29.414 -8.233 -18.612 5 1HB ARG 1 2HB ARG 1 -32.074 -9.594 -19.068 6 2HB ARG 1 1HB ARG 1 -30.790 -10.377 -18.145 7 1HG ARG 1 2HG ARG 1 -31.118 -9.040 -16.348 8 2HG ARG 1 1HG ARG 1 -31.239 -7.591 -17.346 9 1HD ARG 1 2HD ARG 1 -33.568 -8.041 -17.843 10 2HD ARG 1 1HD ARG 1 -33.474 -9.629 -17.058 11 HE ARG 1 HE ARG 1 -32.608 -7.882 -15.093 12 1HH1 ARG 1 1HH2 ARG 1 -34.490 -6.006 -16.670 13 2HH1 ARG 1 2HH2 ARG 1 -35.947 -6.180 -15.752 14 1HH2 ARG 1 1HH1 ARG 1 -34.872 -9.029 -14.092 15 2HH2 ARG 1 2HH1 ARG 1 -36.165 -7.892 -14.292 16 H MET 2 H MET 2 -27.675 -8.882 -19.861 17 HA MET 2 HA MET 2 -28.172 -11.036 -21.894 18 1HB MET 2 2HB MET 2 -26.262 -8.682 -21.834 19 2HB MET 2 1HB MET 2 -26.140 -9.987 -23.015 20 1HG MET 2 2HG MET 2 -28.862 -9.161 -22.956 21 2HG MET 2 1HG MET 2 -27.875 -7.703 -23.064 22 1HE MET 2 1HE MET 2 -29.382 -7.576 -25.322 23 2HE MET 2 2HE MET 2 -29.959 -9.236 -25.191 24 3HE MET 2 3HE MET 2 -29.203 -8.688 -26.685 25 H LYS 3 H LYS 3 -27.217 -12.936 -21.288 26 HA LYS 3 HA LYS 3 -24.740 -12.798 -19.596 27 1HB LYS 3 2HB LYS 3 -27.264 -14.421 -19.444 28 2HB LYS 3 1HB LYS 3 -25.765 -15.104 -18.812 29 1HG LYS 3 2HG LYS 3 -25.460 -13.133 -17.370 30 2HG LYS 3 1HG LYS 3 -26.946 -12.428 -18.009 31 1HD LYS 3 2HD LYS 3 -27.437 -15.131 -17.111 32 2HD LYS 3 1HD LYS 3 -26.709 -14.183 -15.815 33 1HE LYS 3 2HE LYS 3 -28.426 -12.452 -16.061 34 2HE LYS 3 1HE LYS 3 -29.135 -13.325 -17.435 35 1HZ LYS 3 1HZ LYS 3 -30.329 -14.008 -15.524 36 2HZ LYS 3 2HZ LYS 3 -28.909 -14.248 -14.623 37 3HZ LYS 3 3HZ LYS 3 -29.289 -15.291 -15.909 38 H LYS 4 H LYS 4 -23.044 -13.551 -20.804 39 HA LYS 4 HA LYS 4 -23.156 -16.149 -22.106 40 1HB LYS 4 2HB LYS 4 -22.656 -15.025 -24.405 41 2HB LYS 4 1HB LYS 4 -24.326 -15.056 -23.841 42 1HG LYS 4 2HG LYS 4 -24.415 -12.803 -23.673 43 2HG LYS 4 1HG LYS 4 -22.856 -12.727 -22.853 44 1HD LYS 4 2HD LYS 4 -21.907 -11.983 -24.750 45 2HD LYS 4 1HD LYS 4 -22.358 -13.489 -25.551 46 1HE LYS 4 2HE LYS 4 -24.727 -12.359 -25.754 47 2HE LYS 4 1HE LYS 4 -23.812 -10.856 -25.530 48 1HZ LYS 4 1HZ LYS 4 -23.631 -12.835 -27.686 49 2HZ LYS 4 2HZ LYS 4 -22.210 -12.027 -27.222 50 3HZ LYS 4 3HZ LYS 4 -23.554 -11.142 -27.769 51 H LYS 5 H LYS 5 -21.044 -15.831 -23.906 52 HA LYS 5 HA LYS 5 -18.680 -16.023 -23.763 53 1HB LYS 5 2HB LYS 5 -17.738 -13.818 -23.750 54 2HB LYS 5 1HB LYS 5 -19.360 -13.657 -24.419 55 1HG LYS 5 2HG LYS 5 -19.105 -13.355 -21.463 56 2HG LYS 5 1HG LYS 5 -18.444 -12.060 -22.454 57 1HD LYS 5 2HD LYS 5 -21.073 -12.974 -23.371 58 2HD LYS 5 1HD LYS 5 -21.099 -12.313 -21.736 59 1HE LYS 5 2HE LYS 5 -19.766 -10.886 -24.061 60 2HE LYS 5 1HE LYS 5 -21.441 -10.578 -23.560 61 1HZ LYS 5 1HZ LYS 5 -19.995 -9.078 -22.385 62 2HZ LYS 5 2HZ LYS 5 -19.013 -10.360 -21.858 63 3HZ LYS 5 3HZ LYS 5 -20.605 -10.214 -21.284 64 H ASP 6 H ASP 6 -16.884 -14.667 -22.029 65 HA ASP 6 HA ASP 6 -17.446 -14.842 -19.255 66 1HB ASP 6 2HB ASP 6 -17.401 -17.342 -20.638 67 2HB ASP 6 1HB ASP 6 -15.983 -17.285 -19.589 68 H GLU 7 H GLU 7 -15.157 -15.678 -18.114 69 HA GLU 7 HA GLU 7 -12.978 -14.272 -19.629 70 1HB GLU 7 2HB GLU 7 -14.158 -13.941 -16.962 71 2HB GLU 7 1HB GLU 7 -12.399 -14.065 -16.924 72 1HG GLU 7 2HG GLU 7 -12.272 -12.300 -18.682 73 2HG GLU 7 1HG GLU 7 -14.026 -12.130 -18.599 74 H GLY 8 H GLY 8 -10.801 -14.881 -18.200 75 1HA GLY 8 2HA GLY 8 -10.794 -17.748 -17.496 76 2HA GLY 8 1HA GLY 8 -9.821 -17.294 -18.895 77 H SER 9 H SER 9 -7.850 -16.269 -18.553 78 HA SER 9 HA SER 9 -7.139 -15.004 -16.052 79 1HB SER 9 2HB SER 9 -5.336 -16.952 -15.740 80 2HB SER 9 1HB SER 9 -6.952 -17.084 -15.051 81 HG SER 9 HG SER 9 -6.121 -18.893 -16.401 82 H TYR 10 H TYR 10 -4.687 -14.542 -16.047 83 HA TYR 10 HA TYR 10 -2.759 -13.759 -17.174 84 1HB TYR 10 2HB TYR 10 -3.389 -16.235 -18.170 85 2HB TYR 10 1HB TYR 10 -3.405 -15.257 -19.638 86 HD1 TYR 10 HD1 TYR 10 -1.360 -17.463 -18.551 87 HD2 TYR 10 HD2 TYR 10 -1.371 -13.172 -18.735 88 HE1 TYR 10 HE1 TYR 10 1.120 -17.458 -18.575 89 HE2 TYR 10 HE2 TYR 10 1.109 -13.166 -18.759 90 HH TYR 10 HH TYR 10 2.948 -16.099 -19.143 91 H ASP 11 H ASP 11 -5.793 -12.923 -17.880 92 HA ASP 11 HA ASP 11 -5.636 -11.750 -20.499 93 1HB ASP 11 2HB ASP 11 -7.739 -10.768 -19.865 94 2HB ASP 11 1HB ASP 11 -7.676 -12.355 -19.098 95 H LEU 12 H LEU 12 -4.898 -10.573 -17.237 96 HA LEU 12 HA LEU 12 -4.700 -7.839 -17.508 97 1HB LEU 12 2HB LEU 12 -3.046 -9.950 -16.165 98 2HB LEU 12 1HB LEU 12 -2.489 -8.278 -16.101 99 HG LEU 12 HG LEU 12 -4.511 -7.550 -15.041 100 1HD1 LEU 12 1HD1 LEU 12 -5.555 -10.366 -15.471 101 2HD1 LEU 12 2HD1 LEU 12 -6.047 -8.952 -16.403 102 3HD1 LEU 12 3HD1 LEU 12 -6.420 -9.047 -14.682 103 1HD2 LEU 12 1HD2 LEU 12 -3.140 -9.963 -13.972 104 2HD2 LEU 12 2HD2 LEU 12 -4.655 -9.516 -13.187 105 3HD2 LEU 12 3HD2 LEU 12 -3.322 -8.362 -13.254 106 H GLY 13 H GLY 13 -2.867 -6.417 -18.103 107 1HA GLY 13 2HA GLY 13 -1.411 -7.480 -20.473 108 2HA GLY 13 1HA GLY 13 -1.707 -5.773 -20.146 109 H LYS 14 H LYS 14 -0.741 -5.181 -17.798 110 HA LYS 14 HA LYS 14 1.698 -6.556 -17.043 111 1HB LYS 14 2HB LYS 14 2.314 -5.588 -19.242 112 2HB LYS 14 1HB LYS 14 1.893 -3.984 -18.639 113 1HG LYS 14 2HG LYS 14 4.249 -4.141 -18.362 114 2HG LYS 14 1HG LYS 14 3.581 -4.426 -16.754 115 1HD LYS 14 2HD LYS 14 4.506 -6.474 -16.685 116 2HD LYS 14 1HD LYS 14 3.709 -6.918 -18.194 117 1HE LYS 14 2HE LYS 14 5.567 -5.597 -19.387 118 2HE LYS 14 1HE LYS 14 6.421 -5.626 -17.832 119 1HZ LYS 14 1HZ LYS 14 6.562 -7.902 -17.837 120 2HZ LYS 14 2HZ LYS 14 6.701 -7.593 -19.502 121 3HZ LYS 14 3HZ LYS 14 5.217 -8.104 -18.851 122 H LYS 15 H LYS 15 2.112 -3.173 -16.957 123 HA LYS 15 HA LYS 15 0.765 -2.957 -14.299 124 1HB LYS 15 2HB LYS 15 3.635 -2.301 -15.031 125 2HB LYS 15 1HB LYS 15 2.886 -1.874 -13.492 126 1HG LYS 15 2HG LYS 15 2.468 -4.231 -13.000 127 2HG LYS 15 1HG LYS 15 3.115 -4.697 -14.575 128 1HD LYS 15 2HD LYS 15 5.061 -4.957 -13.411 129 2HD LYS 15 1HD LYS 15 5.181 -3.209 -13.614 130 1HE LYS 15 2HE LYS 15 4.910 -2.853 -11.389 131 2HE LYS 15 1HE LYS 15 3.510 -3.942 -11.321 132 1HZ LYS 15 1HZ LYS 15 6.273 -4.954 -11.642 133 2HZ LYS 15 2HZ LYS 15 4.883 -5.816 -11.181 134 3HZ LYS 15 3HZ LYS 15 5.590 -4.703 -10.110 135 HA PRO 16 HA PRO 16 -0.518 0.813 -16.300 136 1HB PRO 16 2HB PRO 16 -1.872 1.845 -14.156 137 2HB PRO 16 1HB PRO 16 -2.528 0.558 -15.190 138 1HG PRO 16 2HG PRO 16 -1.219 0.355 -12.520 139 2HG PRO 16 1HG PRO 16 -2.628 -0.512 -13.155 140 1HD PRO 16 2HD PRO 16 -0.156 -1.621 -13.020 141 2HD PRO 16 1HD PRO 16 -1.343 -2.056 -14.271 142 H ILE 17 H ILE 17 1.241 2.113 -16.569 143 HA ILE 17 HA ILE 17 2.504 3.367 -14.181 144 HB ILE 17 HB ILE 17 4.152 4.030 -16.188 145 1HG1 ILE 17 2HG1 ILE 17 3.209 1.350 -17.176 146 2HG1 ILE 17 1HG1 ILE 17 2.431 2.817 -17.767 147 1HG2 ILE 17 1HG2 ILE 17 4.454 2.501 -14.117 148 2HG2 ILE 17 2HG2 ILE 17 5.530 2.255 -15.492 149 3HG2 ILE 17 3HG2 ILE 17 4.162 1.172 -15.238 150 1HD1 ILE 17 1HD1 ILE 17 5.001 1.706 -18.488 151 2HD1 ILE 17 2HD1 ILE 17 5.183 3.352 -17.881 152 3HD1 ILE 17 3HD1 ILE 17 4.107 3.027 -19.240 153 H TYR 18 H TYR 18 3.166 5.730 -14.546 154 HA TYR 18 HA TYR 18 1.386 7.204 -16.420 155 1HB TYR 18 2HB TYR 18 0.944 6.786 -13.603 156 2HB TYR 18 1HB TYR 18 1.231 8.501 -13.898 157 HD1 TYR 18 HD1 TYR 18 -0.053 9.565 -15.913 158 HD2 TYR 18 HD2 TYR 18 -1.172 5.873 -14.024 159 HE1 TYR 18 HE1 TYR 18 -2.351 9.796 -16.819 160 HE2 TYR 18 HE2 TYR 18 -3.467 6.104 -14.932 161 HH TYR 18 HH TYR 18 -4.855 7.351 -16.122 162 H LYS 19 H LYS 19 2.985 8.351 -17.485 163 HA LYS 19 HA LYS 19 4.508 10.347 -15.968 164 1HB LYS 19 2HB LYS 19 5.602 7.751 -16.824 165 2HB LYS 19 1HB LYS 19 6.571 9.129 -17.346 166 1HG LYS 19 2HG LYS 19 7.242 9.606 -15.233 167 2HG LYS 19 1HG LYS 19 5.631 9.337 -14.568 168 1HD LYS 19 2HD LYS 19 6.326 7.353 -13.767 169 2HD LYS 19 1HD LYS 19 6.588 6.807 -15.425 170 1HE LYS 19 2HE LYS 19 8.689 6.576 -14.208 171 2HE LYS 19 1HE LYS 19 8.863 7.934 -15.339 172 1HZ LYS 19 1HZ LYS 19 9.457 9.009 -13.449 173 2HZ LYS 19 2HZ LYS 19 8.583 7.964 -12.433 174 3HZ LYS 19 3HZ LYS 19 7.778 9.191 -13.289 175 H LYS 20 H LYS 20 6.431 10.884 -17.983 176 HA LYS 20 HA LYS 20 5.528 10.916 -20.652 177 1HB LYS 20 2HB LYS 20 3.986 12.523 -18.841 178 2HB LYS 20 1HB LYS 20 4.815 13.592 -19.974 179 1HG LYS 20 2HG LYS 20 3.996 11.978 -21.813 180 2HG LYS 20 1HG LYS 20 2.896 11.345 -20.588 181 1HD LYS 20 2HD LYS 20 1.549 13.159 -20.706 182 2HD LYS 20 1HD LYS 20 2.916 14.273 -20.697 183 1HE LYS 20 2HE LYS 20 3.314 13.720 -23.120 184 2HE LYS 20 1HE LYS 20 1.812 12.774 -23.096 185 1HZ LYS 20 1HZ LYS 20 1.760 15.476 -21.971 186 2HZ LYS 20 2HZ LYS 20 0.535 14.615 -22.773 187 3HZ LYS 20 3HZ LYS 20 1.793 15.333 -23.660 188 H ALA 21 H ALA 21 6.329 13.281 -21.665 189 HA ALA 21 HA ALA 21 9.132 13.553 -20.657 190 1HB ALA 21 1HB ALA 21 8.078 12.996 -23.138 191 2HB ALA 21 2HB ALA 21 9.696 13.642 -22.863 192 3HB ALA 21 3HB ALA 21 8.365 14.733 -23.247 193 HA PRO 22 HA PRO 22 8.646 17.818 -19.735 194 1HB PRO 22 2HB PRO 22 10.621 19.100 -21.130 195 2HB PRO 22 1HB PRO 22 10.946 18.065 -19.725 196 1HG PRO 22 2HG PRO 22 11.225 17.463 -22.625 197 2HG PRO 22 1HG PRO 22 12.249 16.975 -21.265 198 1HD PRO 22 2HD PRO 22 10.419 15.330 -22.458 199 2HD PRO 22 1HD PRO 22 10.948 15.163 -20.769 200 H THR 23 H THR 23 8.386 20.116 -20.797 201 HA THR 23 HA THR 23 7.808 20.488 -23.539 202 HB THR 23 HB THR 23 6.128 18.815 -23.396 203 HG1 THR 23 HG1 THR 23 4.496 20.971 -22.738 204 1HG2 THR 23 1HG2 THR 23 6.015 18.433 -21.046 205 2HG2 THR 23 2HG2 THR 23 4.394 18.940 -21.520 206 3HG2 THR 23 3HG2 THR 23 5.480 20.084 -20.731 207 H ASN 24 H ASN 24 6.536 22.526 -23.899 208 HA ASN 24 HA ASN 24 6.318 24.215 -21.432 209 1HB ASN 24 2HB ASN 24 8.279 24.322 -23.455 210 2HB ASN 24 1HB ASN 24 7.195 25.674 -23.783 211 1HD2 ASN 24 1HD2 ASN 24 9.255 24.239 -21.235 212 2HD2 ASN 24 2HD2 ASN 24 9.423 25.672 -20.341 213 H GLU 25 H GLU 25 5.233 26.442 -22.255 214 HA GLU 25 HA GLU 25 3.126 25.884 -24.289 215 1HB GLU 25 2HB GLU 25 2.787 25.609 -21.518 216 2HB GLU 25 1HB GLU 25 2.071 27.176 -21.900 217 1HG GLU 25 2HG GLU 25 0.795 26.063 -23.760 218 2HG GLU 25 1HG GLU 25 1.403 24.511 -23.181 219 H PHE 26 H PHE 26 3.750 27.568 -25.661 220 HA PHE 26 HA PHE 26 3.605 30.329 -24.510 221 1HB PHE 26 2HB PHE 26 5.906 28.957 -25.366 222 2HB PHE 26 1HB PHE 26 5.517 30.062 -26.684 223 HD1 PHE 26 HD1 PHE 26 6.339 29.819 -23.086 224 HD2 PHE 26 HD2 PHE 26 5.632 32.461 -26.399 225 HE1 PHE 26 HE1 PHE 26 7.238 31.715 -21.766 226 HE2 PHE 26 HE2 PHE 26 6.531 34.357 -25.077 227 HZ PHE 26 HZ PHE 26 7.334 33.984 -22.761 228 H TYR 27 H TYR 27 3.315 31.971 -26.334 229 HA TYR 27 HA TYR 27 1.786 30.773 -28.623 230 1HB TYR 27 2HB TYR 27 1.185 33.319 -27.085 231 2HB TYR 27 1HB TYR 27 0.174 32.576 -28.325 232 HD1 TYR 27 HD1 TYR 27 -0.195 33.177 -25.154 233 HD2 TYR 27 HD2 TYR 27 0.481 29.691 -27.572 234 HE1 TYR 27 HE1 TYR 27 -1.282 31.768 -23.426 235 HE2 TYR 27 HE2 TYR 27 -0.606 28.283 -25.843 236 HH TYR 27 HH TYR 27 -2.247 29.697 -23.085 237 H ALA 28 HN ALA 28 3.832 33.415 -27.447 238 HA ALA 28 HA ALA 28 5.004 35.100 -28.641 239 1HB ALA 28 1HB ALA 28 6.420 34.086 -30.295 240 2HB ALA 28 2HB ALA 28 5.223 32.838 -30.644 241 3HB ALA 28 3HB ALA 28 6.082 32.831 -29.104 242 1H ARG 1 1HT ARG 1 25.019 -18.626 -12.544 243 2H ARG 1 2HT ARG 1 26.056 -19.864 -13.071 244 3H ARG 1 3HT ARG 1 25.332 -19.953 -11.537 245 HA ARG 1 HA ARG 1 23.536 -19.752 -13.839 246 1HB ARG 1 2HB ARG 1 25.379 -22.045 -13.151 247 2HB ARG 1 1HB ARG 1 23.860 -22.315 -14.005 248 1HG ARG 1 2HG ARG 1 24.675 -21.473 -15.942 249 2HG ARG 1 1HG ARG 1 25.426 -20.103 -15.124 250 1HD ARG 1 2HD ARG 1 27.357 -21.433 -14.513 251 2HD ARG 1 1HD ARG 1 26.577 -22.914 -15.103 252 HE ARG 1 HE ARG 1 26.481 -21.217 -17.286 253 1HH1 ARG 1 1HH2 ARG 1 29.022 -20.138 -15.898 254 2HH1 ARG 1 2HH2 ARG 1 30.243 -21.024 -16.749 255 1HH2 ARG 1 1HH1 ARG 1 28.018 -23.328 -18.080 256 2HH2 ARG 1 2HH1 ARG 1 29.675 -22.830 -17.985 257 H MET 2 H MET 2 21.720 -19.447 -12.568 258 HA MET 2 HA MET 2 21.312 -21.343 -10.276 259 1HB MET 2 2HB MET 2 20.580 -18.428 -10.672 260 2HB MET 2 1HB MET 2 19.947 -19.405 -9.347 261 1HG MET 2 2HG MET 2 22.760 -19.824 -9.431 262 2HG MET 2 1HG MET 2 22.487 -18.084 -9.528 263 1HE MET 2 1HE MET 2 23.966 -18.336 -7.262 264 2HE MET 2 2HE MET 2 23.783 -20.086 -7.175 265 3HE MET 2 3HE MET 2 23.370 -19.094 -5.779 266 H LYS 3 H LYS 3 19.625 -22.717 -10.673 267 HA LYS 3 HA LYS 3 17.396 -21.750 -12.437 268 1HB LYS 3 2HB LYS 3 18.990 -24.295 -12.323 269 2HB LYS 3 1HB LYS 3 17.326 -24.350 -12.906 270 1HG LYS 3 2HG LYS 3 17.846 -22.626 -14.585 271 2HG LYS 3 1HG LYS 3 19.506 -22.545 -13.995 272 1HD LYS 3 2HD LYS 3 18.782 -25.289 -14.547 273 2HD LYS 3 1HD LYS 3 18.489 -24.286 -15.968 274 1HE LYS 3 2HE LYS 3 20.783 -23.429 -15.887 275 2HE LYS 3 1HE LYS 3 21.093 -24.347 -14.398 276 1HZ LYS 3 1HZ LYS 3 21.834 -25.697 -16.179 277 2HZ LYS 3 2HZ LYS 3 20.421 -25.420 -17.083 278 3HZ LYS 3 3HZ LYS 3 20.359 -26.362 -15.670 279 H LYS 4 H LYS 4 15.574 -21.561 -11.191 280 HA LYS 4 HA LYS 4 14.609 -23.783 -9.584 281 1HB LYS 4 2HB LYS 4 14.696 -22.283 -7.452 282 2HB LYS 4 1HB LYS 4 16.180 -23.087 -7.962 283 1HG LYS 4 2HG LYS 4 17.210 -21.122 -8.399 284 2HG LYS 4 1HG LYS 4 15.808 -20.493 -9.265 285 1HD LYS 4 2HD LYS 4 15.315 -19.193 -7.498 286 2HD LYS 4 1HD LYS 4 15.107 -20.639 -6.508 287 1HE LYS 4 2HE LYS 4 17.737 -20.605 -6.380 288 2HE LYS 4 1HE LYS 4 17.540 -18.894 -6.809 289 1HZ LYS 4 1HZ LYS 4 16.595 -20.332 -4.434 290 2HZ LYS 4 2HZ LYS 4 15.639 -19.062 -5.032 291 3HZ LYS 4 3HZ LYS 4 17.245 -18.771 -4.559 292 H LYS 5 H LYS 5 12.880 -22.383 -7.893 293 HA LYS 5 HA LYS 5 10.655 -21.573 -8.075 294 1HB LYS 5 2HB LYS 5 10.737 -19.195 -8.381 295 2HB LYS 5 1HB LYS 5 12.291 -19.658 -7.693 296 1HG LYS 5 2HG LYS 5 12.108 -19.637 -10.668 297 2HG LYS 5 1HG LYS 5 12.085 -18.073 -9.860 298 1HD LYS 5 2HD LYS 5 14.103 -19.896 -8.768 299 2HD LYS 5 1HD LYS 5 14.362 -19.513 -10.470 300 1HE LYS 5 2HE LYS 5 13.823 -17.385 -8.373 301 2HE LYS 5 1HE LYS 5 15.457 -17.879 -8.862 302 1HZ LYS 5 1HZ LYS 5 14.752 -16.062 -10.247 303 2HZ LYS 5 2HZ LYS 5 13.305 -16.861 -10.642 304 3HZ LYS 5 3HZ LYS 5 14.793 -17.474 -11.186 305 H ASP 6 H ASP 6 9.557 -19.805 -10.008 306 HA ASP 6 HA ASP 6 9.917 -20.536 -12.725 307 1HB ASP 6 2HB ASP 6 8.854 -22.593 -11.051 308 2HB ASP 6 1HB ASP 6 7.566 -22.068 -12.137 309 H GLU 7 H GLU 7 7.458 -20.453 -13.817 310 HA GLU 7 HA GLU 7 6.123 -18.085 -12.543 311 1HB GLU 7 2HB GLU 7 7.261 -18.612 -15.198 312 2HB GLU 7 1HB GLU 7 5.614 -17.981 -15.268 313 1HG GLU 7 2HG GLU 7 6.294 -16.131 -13.742 314 2HG GLU 7 1HG GLU 7 7.951 -16.732 -13.796 315 H GLY 8 H GLY 8 3.855 -17.882 -13.946 316 1HA GLY 8 2HA GLY 8 2.616 -20.538 -14.299 317 2HA GLY 8 1HA GLY 8 1.964 -19.548 -12.991 318 H SER 9 H SER 9 0.604 -17.835 -13.507 319 HA SER 9 HA SER 9 0.430 -16.701 -16.161 320 1HB SER 9 2HB SER 9 -2.036 -17.724 -16.285 321 2HB SER 9 1HB SER 9 -0.648 -18.610 -16.908 322 HG SER 9 HG SER 9 -2.131 -19.719 -15.372 323 H TYR 10 H TYR 10 -1.595 -15.247 -16.290 324 HA TYR 10 HA TYR 10 -2.978 -13.591 -15.319 325 1HB TYR 10 2HB TYR 10 -3.430 -15.960 -14.013 326 2HB TYR 10 1HB TYR 10 -2.962 -14.911 -12.674 327 HD1 TYR 10 HD1 TYR 10 -5.778 -16.158 -13.541 328 HD2 TYR 10 HD2 TYR 10 -3.944 -12.288 -13.878 329 HE1 TYR 10 HE1 TYR 10 -8.020 -15.098 -13.585 330 HE2 TYR 10 HE2 TYR 10 -6.186 -11.228 -13.922 331 HH TYR 10 HH TYR 10 -9.083 -13.035 -13.236 332 H ASP 11 H ASP 11 0.142 -14.041 -14.637 333 HA ASP 11 HA ASP 11 0.568 -12.605 -12.184 334 1HB ASP 11 2HB ASP 11 2.871 -12.691 -12.876 335 2HB ASP 11 1HB ASP 11 2.120 -14.182 -13.446 336 H LEU 12 H LEU 12 0.311 -11.630 -15.584 337 HA LEU 12 HA LEU 12 1.296 -9.061 -15.652 338 1HB LEU 12 2HB LEU 12 -1.131 -10.417 -16.773 339 2HB LEU 12 1HB LEU 12 -0.929 -8.687 -17.054 340 HG LEU 12 HG LEU 12 1.182 -9.018 -18.139 341 1HD1 LEU 12 1HD1 LEU 12 0.946 -11.937 -17.344 342 2HD1 LEU 12 2HD1 LEU 12 2.015 -10.763 -16.577 343 3HD1 LEU 12 3HD1 LEU 12 2.266 -11.215 -18.264 344 1HD2 LEU 12 1HD2 LEU 12 -1.110 -10.734 -18.945 345 2HD2 LEU 12 2HD2 LEU 12 0.429 -11.069 -19.737 346 3HD2 LEU 12 3HD2 LEU 12 -0.287 -9.461 -19.847 347 H GLY 13 H GLY 13 0.257 -6.934 -15.283 348 1HA GLY 13 2HA GLY 13 -1.449 -6.986 -12.841 349 2HA GLY 13 1HA GLY 13 -0.466 -5.617 -13.364 350 H LYS 14 H LYS 14 -1.154 -4.961 -15.793 351 HA LYS 14 HA LYS 14 -3.964 -5.252 -16.442 352 1HB LYS 14 2HB LYS 14 -4.052 -3.856 -14.394 353 2HB LYS 14 1HB LYS 14 -3.008 -2.668 -15.174 354 1HG LYS 14 2HG LYS 14 -5.216 -1.845 -15.495 355 2HG LYS 14 1HG LYS 14 -4.774 -2.578 -17.037 356 1HD LYS 14 2HD LYS 14 -6.482 -4.033 -16.883 357 2HD LYS 14 1HD LYS 14 -5.907 -4.587 -15.310 358 1HE LYS 14 2HE LYS 14 -6.999 -2.468 -14.336 359 2HE LYS 14 1HE LYS 14 -7.827 -2.322 -15.900 360 1HZ LYS 14 1HZ LYS 14 -8.917 -4.305 -15.622 361 2HZ LYS 14 2HZ LYS 14 -8.866 -3.766 -14.012 362 3HZ LYS 14 3HZ LYS 14 -7.757 -4.933 -14.555 363 H LYS 15 H LYS 15 -2.908 -2.051 -16.948 364 HA LYS 15 HA LYS 15 -1.668 -2.750 -19.575 365 1HB LYS 15 2HB LYS 15 -3.970 -0.856 -19.007 366 2HB LYS 15 1HB LYS 15 -3.152 -0.978 -20.565 367 1HG LYS 15 2HG LYS 15 -3.786 -3.330 -20.755 368 2HG LYS 15 1HG LYS 15 -4.526 -3.284 -19.154 369 1HD LYS 15 2HD LYS 15 -6.430 -2.834 -20.330 370 2HD LYS 15 1HD LYS 15 -5.793 -1.188 -20.343 371 1HE LYS 15 2HE LYS 15 -5.456 -1.253 -22.588 372 2HE LYS 15 1HE LYS 15 -4.651 -2.832 -22.485 373 1HZ LYS 15 1HZ LYS 15 -7.574 -2.532 -22.119 374 2HZ LYS 15 2HZ LYS 15 -6.693 -3.950 -22.434 375 3HZ LYS 15 3HZ LYS 15 -6.891 -2.781 -23.651 376 HA PRO 16 HA PRO 16 1.144 0.333 -18.012 377 1HB PRO 16 2HB PRO 16 2.750 0.425 -20.227 378 2HB PRO 16 1HB PRO 16 2.825 -0.883 -19.027 379 1HG PRO 16 2HG PRO 16 1.482 -0.833 -21.688 380 2HG PRO 16 1HG PRO 16 2.407 -2.131 -20.915 381 1HD PRO 16 2HD PRO 16 -0.304 -2.096 -20.980 382 2HD PRO 16 1HD PRO 16 0.621 -2.838 -19.655 383 H ILE 17 H ILE 17 0.110 2.278 -17.951 384 HA ILE 17 HA ILE 17 -0.567 3.649 -20.505 385 HB ILE 17 HB ILE 17 -1.725 5.185 -18.638 386 1HG1 ILE 17 2HG1 ILE 17 -1.978 2.501 -17.308 387 2HG1 ILE 17 1HG1 ILE 17 -0.638 3.558 -16.879 388 1HG2 ILE 17 1HG2 ILE 17 -2.701 3.691 -20.517 389 2HG2 ILE 17 2HG2 ILE 17 -3.743 4.092 -19.152 390 3HG2 ILE 17 3HG2 ILE 17 -2.969 2.509 -19.235 391 1HD1 ILE 17 1HD1 ILE 17 -3.414 3.738 -16.098 392 2HD1 ILE 17 2HD1 ILE 17 -2.898 5.219 -16.905 393 3HD1 ILE 17 3HD1 ILE 17 -2.025 4.637 -15.486 394 H TYR 18 H TYR 18 -0.156 6.095 -20.447 395 HA TYR 18 HA TYR 18 2.133 6.890 -18.718 396 1HB TYR 18 2HB TYR 18 2.278 5.987 -21.451 397 2HB TYR 18 1HB TYR 18 2.754 7.683 -21.374 398 HD1 TYR 18 HD1 TYR 18 4.423 8.339 -19.468 399 HD2 TYR 18 HD2 TYR 18 3.818 4.323 -20.866 400 HE1 TYR 18 HE1 TYR 18 6.624 7.682 -18.535 401 HE2 TYR 18 HE2 TYR 18 6.020 3.666 -19.930 402 HH TYR 18 HH TYR 18 7.837 4.342 -18.863 403 H LYS 19 H LYS 19 1.199 8.727 -17.843 404 HA LYS 19 HA LYS 19 0.624 10.980 -19.631 405 1HB LYS 19 2HB LYS 19 -1.442 9.217 -18.498 406 2HB LYS 19 1HB LYS 19 -1.721 10.929 -18.172 407 1HG LYS 19 2HG LYS 19 -2.184 11.384 -20.345 408 2HG LYS 19 1HG LYS 19 -0.858 10.379 -20.929 409 1HD LYS 19 2HD LYS 19 -2.350 8.798 -21.502 410 2HD LYS 19 1HD LYS 19 -2.772 8.618 -19.798 411 1HE LYS 19 2HE LYS 19 -4.806 9.154 -21.034 412 2HE LYS 19 1HE LYS 19 -4.358 10.583 -20.082 413 1HZ LYS 19 1HZ LYS 19 -4.490 11.572 -22.103 414 2HZ LYS 19 2HZ LYS 19 -4.170 10.139 -22.961 415 3HZ LYS 19 3HZ LYS 19 -2.898 11.004 -22.239 416 H LYS 20 H LYS 20 -0.834 12.521 -17.749 417 HA LYS 20 HA LYS 20 0.069 12.490 -15.079 418 1HB LYS 20 2HB LYS 20 2.098 13.060 -17.030 419 2HB LYS 20 1HB LYS 20 1.831 14.508 -16.058 420 1HG LYS 20 2HG LYS 20 1.937 12.936 -14.016 421 2HG LYS 20 1HG LYS 20 2.632 11.752 -15.125 422 1HD LYS 20 2HD LYS 20 4.624 12.824 -15.189 423 2HD LYS 20 1HD LYS 20 3.858 14.403 -15.372 424 1HE LYS 20 2HE LYS 20 3.327 14.368 -12.911 425 2HE LYS 20 1HE LYS 20 4.287 12.880 -12.779 426 1HZ LYS 20 1HZ LYS 20 5.448 15.147 -14.222 427 2HZ LYS 20 2HZ LYS 20 6.214 13.952 -13.288 428 3HZ LYS 20 3HZ LYS 20 5.403 15.238 -12.529 429 H ALA 21 H ALA 21 0.373 15.076 -14.384 430 HA ALA 21 HA ALA 21 -2.076 16.386 -15.494 431 1HB ALA 21 1HB ALA 21 -1.291 15.739 -12.934 432 2HB ALA 21 2HB ALA 21 -2.490 16.972 -13.329 433 3HB ALA 21 3HB ALA 21 -0.811 17.432 -13.043 434 HA PRO 22 HA PRO 22 0.146 19.897 -16.911 435 1HB PRO 22 2HB PRO 22 -1.061 22.053 -15.735 436 2HB PRO 22 1HB PRO 22 -1.832 21.092 -17.013 437 1HG PRO 22 2HG PRO 22 -2.262 21.020 -14.070 438 2HG PRO 22 1HG PRO 22 -3.432 20.851 -15.388 439 1HD PRO 22 2HD PRO 22 -2.439 18.745 -13.956 440 2HD PRO 22 1HD PRO 22 -3.035 18.613 -15.626 441 H THR 23 H THR 23 1.384 21.978 -16.129 442 HA THR 23 HA THR 23 2.139 22.399 -13.438 443 HB THR 23 HB THR 23 2.949 20.168 -13.331 444 HG1 THR 23 HG1 THR 23 5.321 21.333 -14.201 445 1HG2 THR 23 1HG2 THR 23 2.825 19.493 -15.614 446 2HG2 THR 23 2HG2 THR 23 4.520 19.318 -15.160 447 3HG2 THR 23 3HG2 THR 23 4.000 20.709 -16.111 448 H ASN 24 H ASN 24 4.164 23.733 -13.292 449 HA ASN 24 HA ASN 24 5.010 24.858 -15.938 450 1HB ASN 24 2HB ASN 24 3.335 26.030 -13.998 451 2HB ASN 24 1HB ASN 24 4.899 26.823 -13.805 452 1HD2 ASN 24 1HD2 ASN 24 2.356 26.101 -16.216 453 2HD2 ASN 24 2HD2 ASN 24 2.788 27.349 -17.281 454 H GLU 25 H GLU 25 6.957 26.496 -15.363 455 HA GLU 25 HA GLU 25 8.685 25.349 -13.220 456 1HB GLU 25 2HB GLU 25 8.800 24.624 -15.927 457 2HB GLU 25 1HB GLU 25 10.123 25.772 -15.718 458 1HG GLU 25 2HG GLU 25 10.856 24.458 -13.703 459 2HG GLU 25 1HG GLU 25 9.633 23.253 -14.107 460 H PHE 26 H PHE 26 8.871 27.291 -12.079 461 HA PHE 26 HA PHE 26 10.139 29.568 -13.552 462 1HB PHE 26 2HB PHE 26 7.499 29.416 -12.598 463 2HB PHE 26 1HB PHE 26 8.356 30.403 -11.413 464 HD1 PHE 26 HD1 PHE 26 7.410 30.097 -14.976 465 HD2 PHE 26 HD2 PHE 26 9.259 32.570 -11.990 466 HE1 PHE 26 HE1 PHE 26 7.365 32.021 -16.542 467 HE2 PHE 26 HE2 PHE 26 9.214 34.494 -13.556 468 HZ PHE 26 HZ PHE 26 8.266 34.219 -15.831 469 H TYR 27 H TYR 27 11.148 31.141 -11.932 470 HA TYR 27 HA TYR 27 12.087 29.695 -9.475 471 1HB TYR 27 2HB TYR 27 13.669 31.539 -11.294 472 2HB TYR 27 1HB TYR 27 14.302 30.594 -9.946 473 HD1 TYR 27 HD1 TYR 27 14.805 30.593 -13.156 474 HD2 TYR 27 HD2 TYR 27 12.782 28.044 -10.353 475 HE1 TYR 27 HE1 TYR 27 15.145 28.659 -14.669 476 HE2 TYR 27 HE2 TYR 27 13.121 26.110 -11.867 477 HH TYR 27 HH TYR 27 15.133 26.349 -14.730 478 H ALA 28 HN ALA 28 11.322 32.791 -11.017 479 HA ALA 28 HA ALA 28 11.008 34.945 -10.068 480 1HB ALA 28 1HB ALA 28 9.340 34.835 -8.342 481 2HB ALA 28 2HB ALA 28 9.904 33.251 -7.813 482 3HB ALA 28 3HB ALA 28 9.082 33.421 -9.364 Start of MODEL 7 1 1H ARG 1 1HT ARG 1 -5.491 -20.931 5.093 2 2H ARG 1 2HT ARG 1 -7.051 -20.483 5.591 3 3H ARG 1 3HT ARG 1 -5.700 -20.033 6.516 4 HA ARG 1 HA ARG 1 -6.612 -18.175 5.164 5 1HB ARG 1 2HB ARG 1 -3.829 -19.254 4.607 6 2HB ARG 1 1HB ARG 1 -4.319 -17.575 4.374 7 1HG ARG 1 2HG ARG 1 -5.077 -17.678 6.856 8 2HG ARG 1 1HG ARG 1 -4.062 -19.117 6.951 9 1HD ARG 1 2HD ARG 1 -2.181 -17.691 5.946 10 2HD ARG 1 1HD ARG 1 -3.211 -16.287 6.290 11 HE ARG 1 HE ARG 1 -3.081 -18.000 8.599 12 1HH1 ARG 1 1HH2 ARG 1 -0.871 -16.232 6.677 13 2HH1 ARG 1 2HH2 ARG 1 -0.080 -15.478 8.022 14 1HH2 ARG 1 1HH1 ARG 1 -2.242 -16.815 10.381 15 2HH2 ARG 1 2HH1 ARG 1 -0.856 -15.808 10.119 16 H MET 2 H MET 2 -7.026 -20.967 3.689 17 HA MET 2 HA MET 2 -6.677 -19.909 0.905 18 1HB MET 2 2HB MET 2 -6.351 -22.509 2.262 19 2HB MET 2 1HB MET 2 -7.195 -22.605 0.715 20 1HG MET 2 2HG MET 2 -4.743 -20.909 0.832 21 2HG MET 2 1HG MET 2 -4.520 -22.658 0.867 22 1HE MET 2 1HE MET 2 -5.970 -23.984 -2.345 23 2HE MET 2 2HE MET 2 -6.690 -23.945 -0.738 24 3HE MET 2 3HE MET 2 -4.964 -24.255 -0.915 25 H LYS 3 H LYS 3 -8.561 -19.312 -0.086 26 HA LYS 3 HA LYS 3 -11.159 -19.994 1.120 27 1HB LYS 3 2HB LYS 3 -10.512 -18.483 -1.428 28 2HB LYS 3 1HB LYS 3 -11.978 -18.356 -0.456 29 1HG LYS 3 2HG LYS 3 -10.113 -17.790 1.431 30 2HG LYS 3 1HG LYS 3 -9.301 -17.160 -0.004 31 1HD LYS 3 2HD LYS 3 -11.095 -15.676 -0.497 32 2HD LYS 3 1HD LYS 3 -12.181 -16.494 0.627 33 1HE LYS 3 2HE LYS 3 -11.074 -15.608 2.527 34 2HE LYS 3 1HE LYS 3 -9.634 -15.170 1.587 35 1HZ LYS 3 1HZ LYS 3 -11.515 -13.411 2.116 36 2HZ LYS 3 2HZ LYS 3 -12.206 -14.085 0.718 37 3HZ LYS 3 3HZ LYS 3 -10.658 -13.387 0.652 38 H LYS 4 H LYS 4 -12.925 -20.534 -0.695 39 HA LYS 4 HA LYS 4 -11.848 -22.821 -2.315 40 1HB LYS 4 2HB LYS 4 -14.068 -22.473 -0.405 41 2HB LYS 4 1HB LYS 4 -14.523 -23.316 -1.886 42 1HG LYS 4 2HG LYS 4 -13.333 -25.162 -1.333 43 2HG LYS 4 1HG LYS 4 -11.949 -24.208 -0.800 44 1HD LYS 4 2HD LYS 4 -12.615 -24.223 1.374 45 2HD LYS 4 1HD LYS 4 -14.314 -24.007 0.952 46 1HE LYS 4 2HE LYS 4 -14.562 -26.363 0.442 47 2HE LYS 4 1HE LYS 4 -12.816 -26.629 0.612 48 1HZ LYS 4 1HZ LYS 4 -13.172 -25.542 2.910 49 2HZ LYS 4 2HZ LYS 4 -13.595 -27.175 2.704 50 3HZ LYS 4 3HZ LYS 4 -14.798 -25.975 2.694 51 H LYS 5 H LYS 5 -11.636 -20.804 -3.882 52 HA LYS 5 HA LYS 5 -13.649 -21.031 -5.913 53 1HB LYS 5 2HB LYS 5 -14.482 -19.555 -3.756 54 2HB LYS 5 1HB LYS 5 -13.821 -18.297 -4.802 55 1HG LYS 5 2HG LYS 5 -15.504 -18.505 -6.303 56 2HG LYS 5 1HG LYS 5 -15.445 -20.268 -6.249 57 1HD LYS 5 2HD LYS 5 -17.585 -19.625 -5.369 58 2HD LYS 5 1HD LYS 5 -16.603 -20.128 -3.994 59 1HE LYS 5 2HE LYS 5 -16.512 -18.007 -3.119 60 2HE LYS 5 1HE LYS 5 -16.434 -17.246 -4.720 61 1HZ LYS 5 1HZ LYS 5 -18.780 -18.200 -3.232 62 2HZ LYS 5 2HZ LYS 5 -18.813 -18.259 -4.930 63 3HZ LYS 5 3HZ LYS 5 -18.587 -16.776 -4.133 64 H ASP 6 H ASP 6 -13.355 -18.117 -6.635 65 HA ASP 6 HA ASP 6 -11.859 -16.786 -7.891 66 1HB ASP 6 2HB ASP 6 -9.808 -18.204 -6.162 67 2HB ASP 6 1HB ASP 6 -9.637 -16.621 -6.923 68 H GLU 7 H GLU 7 -12.108 -17.822 -9.932 69 HA GLU 7 HA GLU 7 -11.096 -20.316 -10.754 70 1HB GLU 7 2HB GLU 7 -11.391 -17.684 -12.238 71 2HB GLU 7 1HB GLU 7 -11.181 -19.249 -13.026 72 1HG GLU 7 2HG GLU 7 -13.291 -19.992 -12.426 73 2HG GLU 7 1HG GLU 7 -13.358 -18.969 -10.991 74 H GLY 8 H GLY 8 -9.288 -20.113 -12.744 75 1HA GLY 8 2HA GLY 8 -6.778 -19.774 -11.356 76 2HA GLY 8 1HA GLY 8 -6.959 -20.121 -13.076 77 H SER 9 H SER 9 -7.221 -18.330 -14.541 78 HA SER 9 HA SER 9 -7.209 -15.588 -13.622 79 1HB SER 9 2HB SER 9 -4.780 -17.018 -13.545 80 2HB SER 9 1HB SER 9 -4.666 -15.972 -14.957 81 HG SER 9 HG SER 9 -4.703 -15.354 -12.283 82 H TYR 10 H TYR 10 -6.790 -14.081 -15.543 83 HA TYR 10 HA TYR 10 -7.663 -15.425 -18.080 84 1HB TYR 10 2HB TYR 10 -8.769 -13.257 -18.537 85 2HB TYR 10 1HB TYR 10 -9.301 -13.922 -16.993 86 HD1 TYR 10 HD1 TYR 10 -7.325 -11.296 -18.637 87 HD2 TYR 10 HD2 TYR 10 -8.546 -12.955 -14.868 88 HE1 TYR 10 HE1 TYR 10 -6.541 -9.246 -17.481 89 HE2 TYR 10 HE2 TYR 10 -7.762 -10.905 -13.713 90 HH TYR 10 HH TYR 10 -7.205 -8.069 -15.178 91 H ASP 11 H ASP 11 -7.236 -12.938 -19.576 92 HA ASP 11 HA ASP 11 -4.494 -13.311 -20.349 93 1HB ASP 11 2HB ASP 11 -6.832 -12.170 -21.349 94 2HB ASP 11 1HB ASP 11 -5.747 -10.795 -21.141 95 H LEU 12 H LEU 12 -3.673 -10.601 -20.731 96 HA LEU 12 HA LEU 12 -3.726 -8.964 -18.419 97 1HB LEU 12 2HB LEU 12 -1.413 -9.698 -17.546 98 2HB LEU 12 1HB LEU 12 -2.767 -10.770 -17.194 99 HG LEU 12 HG LEU 12 -1.721 -11.474 -19.762 100 1HD1 LEU 12 1HD1 LEU 12 0.363 -10.376 -19.008 101 2HD1 LEU 12 2HD1 LEU 12 0.568 -12.123 -19.127 102 3HD1 LEU 12 3HD1 LEU 12 0.351 -11.366 -17.549 103 1HD2 LEU 12 1HD2 LEU 12 -1.520 -13.643 -18.742 104 2HD2 LEU 12 2HD2 LEU 12 -2.935 -12.876 -18.019 105 3HD2 LEU 12 3HD2 LEU 12 -1.414 -12.940 -17.128 106 H GLY 13 H GLY 13 -2.004 -7.277 -18.505 107 1HA GLY 13 2HA GLY 13 -0.878 -7.048 -21.264 108 2HA GLY 13 1HA GLY 13 -1.314 -5.670 -20.253 109 H LYS 14 H LYS 14 0.022 -5.279 -18.321 110 HA LYS 14 HA LYS 14 2.484 -6.728 -17.896 111 1HB LYS 14 2HB LYS 14 3.033 -5.681 -20.021 112 2HB LYS 14 1HB LYS 14 2.513 -4.108 -19.416 113 1HG LYS 14 2HG LYS 14 4.841 -4.009 -19.146 114 2HG LYS 14 1HG LYS 14 4.291 -4.511 -17.547 115 1HD LYS 14 2HD LYS 14 4.680 -6.888 -18.202 116 2HD LYS 14 1HD LYS 14 5.339 -6.326 -19.738 117 1HE LYS 14 2HE LYS 14 7.078 -5.039 -18.509 118 2HE LYS 14 1HE LYS 14 6.441 -5.676 -16.979 119 1HZ LYS 14 1HZ LYS 14 8.227 -7.082 -17.787 120 2HZ LYS 14 2HZ LYS 14 7.427 -7.295 -19.272 121 3HZ LYS 14 3HZ LYS 14 6.757 -7.925 -17.843 122 H LYS 15 H LYS 15 2.619 -3.270 -17.723 123 HA LYS 15 HA LYS 15 1.779 -3.300 -14.856 124 1HB LYS 15 2HB LYS 15 4.433 -2.507 -16.069 125 2HB LYS 15 1HB LYS 15 3.927 -1.914 -14.487 126 1HG LYS 15 2HG LYS 15 3.646 -4.837 -14.934 127 2HG LYS 15 1HG LYS 15 5.296 -4.223 -14.817 128 1HD LYS 15 2HD LYS 15 4.989 -4.377 -12.574 129 2HD LYS 15 1HD LYS 15 4.046 -2.897 -12.755 130 1HE LYS 15 2HE LYS 15 2.108 -3.977 -12.272 131 2HE LYS 15 1HE LYS 15 2.485 -5.293 -13.402 132 1HZ LYS 15 1HZ LYS 15 3.634 -6.452 -11.829 133 2HZ LYS 15 2HZ LYS 15 2.506 -5.688 -10.814 134 3HZ LYS 15 3HZ LYS 15 4.081 -5.068 -10.957 135 HA PRO 16 HA PRO 16 -0.116 0.450 -16.248 136 1HB PRO 16 2HB PRO 16 -0.915 1.366 -13.797 137 2HB PRO 16 1HB PRO 16 -1.739 0.046 -14.650 138 1HG PRO 16 2HG PRO 16 0.214 -0.078 -12.410 139 2HG PRO 16 1HG PRO 16 -1.223 -1.065 -12.710 140 1HD PRO 16 2HD PRO 16 1.327 -1.902 -13.226 141 2HD PRO 16 1HD PRO 16 -0.105 -2.505 -14.089 142 H ILE 17 H ILE 17 1.504 1.870 -16.930 143 HA ILE 17 HA ILE 17 3.411 3.004 -14.982 144 HB ILE 17 HB ILE 17 3.082 3.682 -17.892 145 1HG1 ILE 17 2HG1 ILE 17 5.021 1.720 -17.788 146 2HG1 ILE 17 1HG1 ILE 17 3.807 1.117 -16.659 147 1HG2 ILE 17 1HG2 ILE 17 5.100 4.073 -15.789 148 2HG2 ILE 17 2HG2 ILE 17 4.840 4.981 -17.278 149 3HG2 ILE 17 3HG2 ILE 17 5.757 3.474 -17.312 150 1HD1 ILE 17 1HD1 ILE 17 3.635 1.495 -19.598 151 2HD1 ILE 17 2HD1 ILE 17 2.196 1.933 -18.678 152 3HD1 ILE 17 3HD1 ILE 17 2.849 0.298 -18.568 153 H TYR 18 H TYR 18 3.786 5.537 -15.519 154 HA TYR 18 HA TYR 18 1.311 7.041 -15.998 155 1HB TYR 18 2HB TYR 18 1.746 5.990 -13.473 156 2HB TYR 18 1HB TYR 18 2.377 7.631 -13.322 157 HD1 TYR 18 HD1 TYR 18 -0.407 6.347 -15.461 158 HD2 TYR 18 HD2 TYR 18 0.723 8.817 -12.134 159 HE1 TYR 18 HE1 TYR 18 -2.721 7.229 -15.332 160 HE2 TYR 18 HE2 TYR 18 -1.591 9.700 -12.003 161 HH TYR 18 HH TYR 18 -3.543 9.947 -13.372 162 H LYS 19 H LYS 19 3.247 7.614 -17.562 163 HA LYS 19 HA LYS 19 4.698 9.948 -16.363 164 1HB LYS 19 2HB LYS 19 5.888 7.600 -16.923 165 2HB LYS 19 1HB LYS 19 5.965 8.330 -18.527 166 1HG LYS 19 2HG LYS 19 7.985 8.938 -17.345 167 2HG LYS 19 1HG LYS 19 6.975 10.379 -17.461 168 1HD LYS 19 2HD LYS 19 7.094 10.564 -15.222 169 2HD LYS 19 1HD LYS 19 6.155 9.074 -15.104 170 1HE LYS 19 2HE LYS 19 8.087 7.730 -14.870 171 2HE LYS 19 1HE LYS 19 9.150 8.995 -15.521 172 1HZ LYS 19 1HZ LYS 19 7.531 9.382 -13.070 173 2HZ LYS 19 2HZ LYS 19 8.828 10.328 -13.628 174 3HZ LYS 19 3HZ LYS 19 9.111 8.768 -13.017 175 H LYS 20 H LYS 20 4.817 11.758 -17.733 176 HA LYS 20 HA LYS 20 4.510 11.831 -20.533 177 1HB LYS 20 2HB LYS 20 2.140 11.103 -19.110 178 2HB LYS 20 1HB LYS 20 1.882 12.707 -19.798 179 1HG LYS 20 2HG LYS 20 2.929 11.652 -21.961 180 2HG LYS 20 1HG LYS 20 2.479 10.121 -21.208 181 1HD LYS 20 2HD LYS 20 0.444 10.470 -22.145 182 2HD LYS 20 1HD LYS 20 0.207 11.640 -20.846 183 1HE LYS 20 2HE LYS 20 1.082 13.443 -22.284 184 2HE LYS 20 1HE LYS 20 1.351 12.273 -23.592 185 1HZ LYS 20 1HZ LYS 20 -0.825 13.418 -23.745 186 2HZ LYS 20 2HZ LYS 20 -1.265 12.724 -22.258 187 3HZ LYS 20 3HZ LYS 20 -0.968 11.733 -23.605 188 H ALA 21 H ALA 21 6.108 13.472 -19.519 189 HA ALA 21 HA ALA 21 4.760 16.117 -19.413 190 1HB ALA 21 1HB ALA 21 4.898 16.106 -17.152 191 2HB ALA 21 2HB ALA 21 6.649 16.200 -17.347 192 3HB ALA 21 3HB ALA 21 5.866 14.631 -17.160 193 HA PRO 22 HA PRO 22 8.938 15.836 -21.538 194 1HB PRO 22 2HB PRO 22 8.065 16.411 -24.068 195 2HB PRO 22 1HB PRO 22 8.160 14.757 -23.431 196 1HG PRO 22 2HG PRO 22 5.797 16.539 -23.723 197 2HG PRO 22 1HG PRO 22 5.931 14.791 -23.969 198 1HD PRO 22 2HD PRO 22 4.850 15.933 -21.732 199 2HD PRO 22 1HD PRO 22 5.608 14.325 -21.754 200 H THR 23 H THR 23 8.252 17.927 -19.974 201 HA THR 23 HA THR 23 8.195 20.295 -19.788 202 HB THR 23 HB THR 23 9.852 20.504 -22.229 203 HG1 THR 23 HG1 THR 23 10.658 18.857 -20.069 204 1HG2 THR 23 1HG2 THR 23 10.070 21.200 -19.304 205 2HG2 THR 23 2HG2 THR 23 10.017 22.286 -20.693 206 3HG2 THR 23 3HG2 THR 23 11.464 21.327 -20.378 207 H ASN 24 H ASN 24 6.002 20.769 -20.389 208 HA ASN 24 HA ASN 24 5.737 22.098 -23.023 209 1HB ASN 24 2HB ASN 24 4.650 19.464 -22.286 210 2HB ASN 24 1HB ASN 24 3.434 20.572 -22.923 211 1HD2 ASN 24 1HD2 ASN 24 5.044 22.043 -24.765 212 2HD2 ASN 24 2HD2 ASN 24 5.555 20.993 -25.996 213 H GLU 25 H GLU 25 5.406 24.025 -21.744 214 HA GLU 25 HA GLU 25 2.649 24.425 -20.863 215 1HB GLU 25 2HB GLU 25 4.288 23.244 -19.043 216 2HB GLU 25 1HB GLU 25 4.597 24.943 -18.682 217 1HG GLU 25 2HG GLU 25 1.909 23.545 -18.709 218 2HG GLU 25 1HG GLU 25 2.739 24.229 -17.311 219 H PHE 26 H PHE 26 2.683 26.242 -22.272 220 HA PHE 26 HA PHE 26 4.505 28.475 -21.429 221 1HB PHE 26 2HB PHE 26 5.122 27.496 -23.596 222 2HB PHE 26 1HB PHE 26 3.469 27.698 -24.175 223 HD1 PHE 26 HD1 PHE 26 2.715 29.775 -25.051 224 HD2 PHE 26 HD2 PHE 26 6.466 29.554 -22.968 225 HE1 PHE 26 HE1 PHE 26 3.246 32.090 -25.761 226 HE2 PHE 26 HE2 PHE 26 6.997 31.871 -23.679 227 HZ PHE 26 HZ PHE 26 5.387 33.138 -25.076 228 H TYR 27 H TYR 27 3.556 30.634 -21.691 229 HA TYR 27 HA TYR 27 0.740 30.946 -22.391 230 1HB TYR 27 2HB TYR 27 0.853 29.796 -20.099 231 2HB TYR 27 1HB TYR 27 1.515 31.313 -19.488 232 HD1 TYR 27 HD1 TYR 27 -1.317 30.136 -21.661 233 HD2 TYR 27 HD2 TYR 27 0.013 32.859 -18.615 234 HE1 TYR 27 HE1 TYR 27 -3.607 31.075 -21.500 235 HE2 TYR 27 HE2 TYR 27 -2.277 33.797 -18.454 236 HH TYR 27 HH TYR 27 -4.326 33.802 -19.323 237 H ALA 28 HN ALA 28 0.042 33.283 -21.523 238 HA ALA 28 HA ALA 28 2.115 35.143 -22.457 239 1HB ALA 28 1HB ALA 28 0.212 36.769 -22.110 240 2HB ALA 28 2HB ALA 28 -0.740 35.429 -21.472 241 3HB ALA 28 3HB ALA 28 -0.197 35.405 -23.150 242 1H ARG 1 1HT ARG 1 -4.146 -23.884 -36.469 243 2H ARG 1 2HT ARG 1 -2.557 -24.205 -36.977 244 3H ARG 1 3HT ARG 1 -3.615 -23.339 -37.986 245 HA ARG 1 HA ARG 1 -1.965 -21.894 -36.845 246 1HB ARG 1 2HB ARG 1 -4.928 -21.616 -36.237 247 2HB ARG 1 1HB ARG 1 -3.766 -20.289 -36.196 248 1HG ARG 1 2HG ARG 1 -3.189 -21.003 -38.625 249 2HG ARG 1 1HG ARG 1 -4.722 -21.876 -38.573 250 1HD ARG 1 2HD ARG 1 -5.793 -19.677 -37.799 251 2HD ARG 1 1HD ARG 1 -4.274 -18.895 -38.283 252 HE ARG 1 HE ARG 1 -5.181 -20.658 -40.369 253 1HH1 ARG 1 1HH2 ARG 1 -6.381 -17.901 -38.737 254 2HH1 ARG 1 2HH2 ARG 1 -6.814 -17.052 -40.184 255 1HH2 ARG 1 1HH1 ARG 1 -5.486 -19.453 -42.305 256 2HH2 ARG 1 2HH1 ARG 1 -6.306 -17.931 -42.203 257 H MET 2 H MET 2 -2.734 -24.397 -35.032 258 HA MET 2 HA MET 2 -2.526 -22.963 -32.407 259 1HB MET 2 2HB MET 2 -3.959 -25.323 -33.446 260 2HB MET 2 1HB MET 2 -3.194 -25.579 -31.877 261 1HG MET 2 2HG MET 2 -4.699 -23.032 -32.265 262 2HG MET 2 1HG MET 2 -5.642 -24.512 -32.094 263 1HE MET 2 1HE MET 2 -4.806 -25.927 -28.706 264 2HE MET 2 2HE MET 2 -4.181 -26.392 -30.287 265 3HE MET 2 3HE MET 2 -5.869 -25.918 -30.120 266 H LYS 3 H LYS 3 -0.541 -23.104 -31.445 267 HA LYS 3 HA LYS 3 1.490 -24.964 -32.489 268 1HB LYS 3 2HB LYS 3 1.613 -23.025 -30.160 269 2HB LYS 3 1HB LYS 3 2.969 -23.649 -31.101 270 1HG LYS 3 2HG LYS 3 1.469 -22.579 -33.092 271 2HG LYS 3 1HG LYS 3 1.040 -21.497 -31.766 272 1HD LYS 3 2HD LYS 3 3.306 -20.865 -31.408 273 2HD LYS 3 1HD LYS 3 3.911 -22.196 -32.396 274 1HE LYS 3 2HE LYS 3 3.234 -21.161 -34.419 275 2HE LYS 3 1HE LYS 3 2.140 -20.044 -33.577 276 1HZ LYS 3 1HZ LYS 3 4.574 -19.326 -34.265 277 2HZ LYS 3 2HZ LYS 3 4.953 -20.055 -32.777 278 3HZ LYS 3 3HZ LYS 3 3.850 -18.764 -32.838 279 H LYS 4 H LYS 4 2.909 -25.977 -30.574 280 HA LYS 4 HA LYS 4 1.009 -27.377 -28.719 281 1HB LYS 4 2HB LYS 4 3.114 -28.238 -30.596 282 2HB LYS 4 1HB LYS 4 3.210 -29.008 -29.012 283 1HG LYS 4 2HG LYS 4 1.336 -30.227 -29.370 284 2HG LYS 4 1HG LYS 4 0.471 -28.849 -30.051 285 1HD LYS 4 2HD LYS 4 1.009 -29.408 -32.189 286 2HD LYS 4 1HD LYS 4 2.650 -29.884 -31.750 287 1HE LYS 4 2HE LYS 4 1.892 -32.041 -30.952 288 2HE LYS 4 1HE LYS 4 0.192 -31.560 -31.136 289 1HZ LYS 4 1HZ LYS 4 0.914 -31.014 -33.539 290 2HZ LYS 4 2HZ LYS 4 0.610 -32.633 -33.124 291 3HZ LYS 4 3HZ LYS 4 2.208 -32.066 -33.228 292 H LYS 5 H LYS 5 1.714 -25.288 -27.415 293 HA LYS 5 HA LYS 5 3.496 -26.099 -25.317 294 1HB LYS 5 2HB LYS 5 4.816 -25.388 -27.612 295 2HB LYS 5 1HB LYS 5 4.779 -23.852 -26.745 296 1HG LYS 5 2HG LYS 5 6.255 -24.570 -25.186 297 2HG LYS 5 1HG LYS 5 5.454 -26.134 -25.027 298 1HD LYS 5 2HD LYS 5 7.641 -26.570 -25.921 299 2HD LYS 5 1HD LYS 5 6.500 -26.772 -27.251 300 1HE LYS 5 2HE LYS 5 7.293 -24.936 -28.377 301 2HE LYS 5 1HE LYS 5 7.588 -24.026 -26.883 302 1HZ LYS 5 1HZ LYS 5 9.269 -26.056 -28.181 303 2HZ LYS 5 2HZ LYS 5 9.318 -25.917 -26.488 304 3HZ LYS 5 3HZ LYS 5 9.721 -24.586 -27.465 305 H ASP 6 H ASP 6 4.484 -23.270 -24.961 306 HA ASP 6 HA ASP 6 3.726 -21.289 -23.917 307 1HB ASP 6 2HB ASP 6 1.223 -21.902 -25.516 308 2HB ASP 6 1HB ASP 6 1.759 -20.318 -24.957 309 H GLU 7 H GLU 7 3.569 -22.078 -21.758 310 HA GLU 7 HA GLU 7 1.618 -23.789 -20.668 311 1HB GLU 7 2HB GLU 7 3.040 -21.371 -19.507 312 2HB GLU 7 1HB GLU 7 2.208 -22.591 -18.541 313 1HG GLU 7 2HG GLU 7 3.787 -24.225 -18.989 314 2HG GLU 7 1HG GLU 7 4.243 -23.509 -20.536 315 H GLY 8 H GLY 8 0.121 -22.599 -18.768 316 1HA GLY 8 2HA GLY 8 -2.046 -21.399 -20.254 317 2HA GLY 8 1HA GLY 8 -1.982 -21.579 -18.500 318 H SER 9 H SER 9 -0.947 -19.904 -17.257 319 HA SER 9 HA SER 9 0.180 -17.549 -18.501 320 1HB SER 9 2HB SER 9 -2.627 -17.814 -18.470 321 2HB SER 9 1HB SER 9 -2.249 -16.656 -17.199 322 HG SER 9 HG SER 9 -2.026 -16.439 -19.926 323 H TYR 10 H TYR 10 0.491 -15.787 -16.789 324 HA TYR 10 HA TYR 10 0.780 -17.055 -14.085 325 1HB TYR 10 2HB TYR 10 2.712 -15.522 -13.864 326 2HB TYR 10 1HB TYR 10 2.872 -16.532 -15.301 327 HD1 TYR 10 HD1 TYR 10 2.239 -13.138 -14.041 328 HD2 TYR 10 HD2 TYR 10 2.540 -15.601 -17.547 329 HE1 TYR 10 HE1 TYR 10 2.367 -11.106 -15.457 330 HE2 TYR 10 HE2 TYR 10 2.667 -13.569 -18.964 331 HH TYR 10 HH TYR 10 3.405 -10.610 -17.868 332 H ASP 11 H ASP 11 1.489 -14.462 -12.913 333 HA ASP 11 HA ASP 11 -1.132 -13.540 -12.175 334 1HB ASP 11 2HB ASP 11 1.496 -13.385 -11.258 335 2HB ASP 11 1HB ASP 11 1.090 -11.716 -11.661 336 H LEU 12 H LEU 12 -0.716 -10.713 -12.147 337 HA LEU 12 HA LEU 12 -0.037 -9.546 -14.638 338 1HB LEU 12 2HB LEU 12 -2.467 -9.331 -15.478 339 2HB LEU 12 1HB LEU 12 -1.703 -10.910 -15.660 340 HG LEU 12 HG LEU 12 -2.879 -10.788 -13.055 341 1HD1 LEU 12 1HD1 LEU 12 -4.321 -9.009 -13.992 342 2HD1 LEU 12 2HD1 LEU 12 -5.244 -10.478 -13.669 343 3HD1 LEU 12 3HD1 LEU 12 -4.770 -10.080 -15.321 344 1HD2 LEU 12 1HD2 LEU 12 -4.008 -12.772 -13.811 345 2HD2 LEU 12 2HD2 LEU 12 -2.422 -12.771 -14.583 346 3HD2 LEU 12 3HD2 LEU 12 -3.850 -12.292 -15.499 347 H GLY 13 H GLY 13 -0.878 -7.292 -14.804 348 1HA GLY 13 2HA GLY 13 -1.726 -6.276 -12.123 349 2HA GLY 13 1HA GLY 13 -0.776 -5.345 -13.282 350 H LYS 14 H LYS 14 -1.871 -4.662 -15.283 351 HA LYS 14 HA LYS 14 -4.727 -4.971 -15.596 352 1HB LYS 14 2HB LYS 14 -4.722 -3.541 -13.628 353 2HB LYS 14 1HB LYS 14 -3.601 -2.423 -14.406 354 1HG LYS 14 2HG LYS 14 -5.674 -1.380 -14.748 355 2HG LYS 14 1HG LYS 14 -5.432 -2.258 -16.259 356 1HD LYS 14 2HD LYS 14 -6.774 -4.148 -15.332 357 2HD LYS 14 1HD LYS 14 -7.090 -3.177 -13.894 358 1HE LYS 14 2HE LYS 14 -8.154 -1.434 -15.316 359 2HE LYS 14 1HE LYS 14 -7.888 -2.462 -16.740 360 1HZ LYS 14 1HZ LYS 14 -10.079 -2.869 -15.816 361 2HZ LYS 14 2HZ LYS 14 -9.405 -3.219 -14.296 362 3HZ LYS 14 3HZ LYS 14 -9.103 -4.242 -15.619 363 H LYS 15 H LYS 15 -3.387 -1.831 -16.191 364 HA LYS 15 HA LYS 15 -2.718 -2.561 -19.008 365 1HB LYS 15 2HB LYS 15 -4.752 -0.578 -17.973 366 2HB LYS 15 1HB LYS 15 -4.084 -0.450 -19.601 367 1HG LYS 15 2HG LYS 15 -5.056 -3.139 -18.795 368 2HG LYS 15 1HG LYS 15 -6.294 -1.905 -19.031 369 1HD LYS 15 2HD LYS 15 -6.141 -2.443 -21.229 370 2HD LYS 15 1HD LYS 15 -4.656 -1.492 -21.203 371 1HE LYS 15 2HE LYS 15 -3.372 -3.342 -21.498 372 2HE LYS 15 1HE LYS 15 -4.240 -4.227 -20.229 373 1HZ LYS 15 1HZ LYS 15 -5.814 -4.971 -21.680 374 2HZ LYS 15 2HZ LYS 15 -4.497 -4.886 -22.750 375 3HZ LYS 15 3HZ LYS 15 -5.656 -3.645 -22.725 376 HA PRO 16 HA PRO 16 0.625 0.171 -18.030 377 1HB PRO 16 2HB PRO 16 1.670 0.358 -20.552 378 2HB PRO 16 1HB PRO 16 1.880 -1.074 -19.523 379 1HG PRO 16 2HG PRO 16 -0.001 -0.627 -21.783 380 2HG PRO 16 1HG PRO 16 0.890 -2.088 -21.327 381 1HD PRO 16 2HD PRO 16 -1.759 -1.695 -20.783 382 2HD PRO 16 1HD PRO 16 -0.695 -2.739 -19.814 383 H ILE 17 H ILE 17 -0.222 2.215 -17.569 384 HA ILE 17 HA ILE 17 -1.521 3.804 -19.691 385 HB ILE 17 HB ILE 17 -0.856 4.626 -16.877 386 1HG1 ILE 17 2HG1 ILE 17 -3.446 3.674 -16.796 387 2HG1 ILE 17 1HG1 ILE 17 -2.632 2.482 -17.808 388 1HG2 ILE 17 1HG2 ILE 17 -2.574 5.578 -19.066 389 2HG2 ILE 17 2HG2 ILE 17 -1.914 6.462 -17.691 390 3HG2 ILE 17 3HG2 ILE 17 -3.381 5.503 -17.499 391 1HD1 ILE 17 1HD1 ILE 17 -2.238 3.104 -14.934 392 2HD1 ILE 17 2HD1 ILE 17 -0.773 2.776 -15.861 393 3HD1 ILE 17 3HD1 ILE 17 -2.061 1.572 -15.789 394 H TYR 18 H TYR 18 -0.771 6.302 -19.476 395 HA TYR 18 HA TYR 18 2.119 6.661 -19.116 396 1HB TYR 18 2HB TYR 18 1.213 5.597 -21.505 397 2HB TYR 18 1HB TYR 18 1.331 7.318 -21.870 398 HD1 TYR 18 HD1 TYR 18 3.366 5.246 -19.517 399 HD2 TYR 18 HD2 TYR 18 3.301 7.539 -23.148 400 HE1 TYR 18 HE1 TYR 18 5.832 5.041 -19.691 401 HE2 TYR 18 HE2 TYR 18 5.766 7.334 -23.322 402 HH TYR 18 HH TYR 18 7.674 6.895 -21.941 403 H LYS 19 H LYS 19 0.651 8.186 -17.686 404 HA LYS 19 HA LYS 19 0.294 10.750 -19.197 405 1HB LYS 19 2HB LYS 19 -1.762 9.215 -18.389 406 2HB LYS 19 1HB LYS 19 -1.480 10.097 -16.887 407 1HG LYS 19 2HG LYS 19 -3.082 11.356 -18.189 408 2HG LYS 19 1HG LYS 19 -1.555 12.235 -18.220 409 1HD LYS 19 2HD LYS 19 -1.645 12.180 -20.469 410 2HD LYS 19 1HD LYS 19 -1.429 10.431 -20.379 411 1HE LYS 19 2HE LYS 19 -3.753 10.015 -20.501 412 2HE LYS 19 1HE LYS 19 -4.162 11.679 -20.037 413 1HZ LYS 19 1HZ LYS 19 -2.599 11.044 -22.473 414 2HZ LYS 19 2HZ LYS 19 -3.358 12.510 -22.068 415 3HZ LYS 19 3HZ LYS 19 -4.291 11.156 -22.493 416 H LYS 20 H LYS 20 0.992 12.591 -18.060 417 HA LYS 20 HA LYS 20 1.376 12.866 -15.281 418 1HB LYS 20 2HB LYS 20 3.174 11.037 -16.541 419 2HB LYS 20 1HB LYS 20 4.106 12.450 -16.046 420 1HG LYS 20 2HG LYS 20 2.769 12.209 -13.801 421 2HG LYS 20 1HG LYS 20 2.509 10.552 -14.350 422 1HD LYS 20 2HD LYS 20 4.525 10.116 -13.408 423 2HD LYS 20 1HD LYS 20 5.199 10.910 -14.832 424 1HE LYS 20 2HE LYS 20 5.208 13.072 -13.647 425 2HE LYS 20 1HE LYS 20 4.506 12.295 -12.215 426 1HZ LYS 20 1HZ LYS 20 6.965 12.418 -12.142 427 2HZ LYS 20 2HZ LYS 20 7.030 11.429 -13.523 428 3HZ LYS 20 3HZ LYS 20 6.376 10.829 -12.074 429 H ALA 21 H ALA 21 0.596 14.893 -16.530 430 HA ALA 21 HA ALA 21 2.934 16.683 -16.918 431 1HB ALA 21 1HB ALA 21 2.744 16.458 -19.165 432 2HB ALA 21 2HB ALA 21 1.205 17.309 -19.031 433 3HB ALA 21 3HB ALA 21 1.244 15.546 -19.005 434 HA PRO 22 HA PRO 22 -0.908 18.459 -14.890 435 1HB PRO 22 2HB PRO 22 0.193 18.912 -12.426 436 2HB PRO 22 1HB PRO 22 -0.611 17.391 -12.859 437 1HG PRO 22 2HG PRO 22 2.291 18.024 -12.722 438 2HG PRO 22 1HG PRO 22 1.437 16.542 -12.270 439 1HD PRO 22 2HD PRO 22 2.838 16.838 -14.598 440 2HD PRO 22 1HD PRO 22 1.471 15.719 -14.402 441 H THR 23 H THR 23 0.556 19.856 -16.676 442 HA THR 23 HA THR 23 1.605 21.935 -17.146 443 HB THR 23 HB THR 23 0.260 23.121 -14.795 444 HG1 THR 23 HG1 THR 23 -1.227 21.723 -16.760 445 1HG2 THR 23 1HG2 THR 23 0.279 23.483 -17.786 446 2HG2 THR 23 2HG2 THR 23 0.824 24.605 -16.539 447 3HG2 THR 23 3HG2 THR 23 -0.900 24.318 -16.775 448 H ASN 24 H ASN 24 3.808 21.505 -16.548 449 HA ASN 24 HA ASN 24 4.683 22.904 -14.089 450 1HB ASN 24 2HB ASN 24 4.531 19.990 -14.471 451 2HB ASN 24 1HB ASN 24 6.118 20.546 -13.941 452 1HD2 ASN 24 1HD2 ASN 24 5.334 22.772 -12.334 453 2HD2 ASN 24 2HD2 ASN 24 4.460 22.195 -10.999 454 H GLU 25 H GLU 25 5.763 24.338 -15.582 455 HA GLU 25 HA GLU 25 8.405 23.422 -16.429 456 1HB GLU 25 2HB GLU 25 6.373 22.836 -18.137 457 2HB GLU 25 1HB GLU 25 6.802 24.448 -18.709 458 1HG GLU 25 2HG GLU 25 8.644 22.058 -18.441 459 2HG GLU 25 1HG GLU 25 8.146 22.855 -19.933 460 H PHE 26 H PHE 26 9.183 25.239 -15.252 461 HA PHE 26 HA PHE 26 8.458 27.913 -16.409 462 1HB PHE 26 2HB PHE 26 7.541 27.558 -14.157 463 2HB PHE 26 1HB PHE 26 9.140 27.109 -13.562 464 HD1 PHE 26 HD1 PHE 26 10.726 28.761 -12.925 465 HD2 PHE 26 HD2 PHE 26 7.181 29.899 -15.066 466 HE1 PHE 26 HE1 PHE 26 11.246 31.150 -12.514 467 HE2 PHE 26 HE2 PHE 26 7.701 32.290 -14.655 468 HZ PHE 26 HZ PHE 26 9.733 32.914 -13.379 469 H TYR 27 H TYR 27 10.238 29.481 -16.386 470 HA TYR 27 HA TYR 27 12.940 28.651 -15.652 471 1HB TYR 27 2HB TYR 27 12.288 27.390 -17.790 472 2HB TYR 27 1HB TYR 27 12.315 28.958 -18.597 473 HD1 TYR 27 HD1 TYR 27 14.439 26.965 -16.222 474 HD2 TYR 27 HD2 TYR 27 14.306 29.604 -19.609 475 HE1 TYR 27 HE1 TYR 27 16.905 26.817 -16.434 476 HE2 TYR 27 HE2 TYR 27 16.773 29.456 -19.822 477 HH TYR 27 HH TYR 27 18.652 28.697 -18.905 478 H ALA 28 HN ALA 28 14.538 30.350 -16.777 479 HA ALA 28 HA ALA 28 13.474 33.010 -16.132 480 1HB ALA 28 1HB ALA 28 15.876 33.621 -16.622 481 2HB ALA 28 2HB ALA 28 16.154 31.937 -17.067 482 3HB ALA 28 3HB ALA 28 15.697 32.350 -15.413 Start of MODEL 8 1 1H ARG 1 1HT ARG 1 -33.582 -16.427 -27.707 2 2H ARG 1 2HT ARG 1 -32.670 -17.423 -28.739 3 3H ARG 1 3HT ARG 1 -32.088 -15.887 -28.305 4 HA ARG 1 HA ARG 1 -31.846 -16.587 -26.002 5 1HB ARG 1 2HB ARG 1 -33.277 -18.930 -27.222 6 2HB ARG 1 1HB ARG 1 -32.245 -19.198 -25.816 7 1HG ARG 1 2HG ARG 1 -33.893 -18.444 -24.486 8 2HG ARG 1 1HG ARG 1 -33.793 -16.873 -25.283 9 1HD ARG 1 2HD ARG 1 -35.885 -17.262 -26.076 10 2HD ARG 1 1HD ARG 1 -35.179 -18.532 -27.096 11 HE ARG 1 HE ARG 1 -35.842 -20.164 -25.476 12 1HH1 ARG 1 1HH2 ARG 1 -35.508 -17.292 -23.761 13 2HH1 ARG 1 2HH2 ARG 1 -36.852 -17.564 -22.703 14 1HH2 ARG 1 1HH1 ARG 1 -37.961 -20.375 -24.403 15 2HH2 ARG 1 2HH1 ARG 1 -38.240 -19.311 -23.066 16 H MET 2 H MET 2 -29.870 -17.687 -25.336 17 HA MET 2 HA MET 2 -28.325 -19.138 -27.407 18 1HB MET 2 2HB MET 2 -27.885 -16.335 -26.478 19 2HB MET 2 1HB MET 2 -26.453 -17.331 -26.738 20 1HG MET 2 2HG MET 2 -26.633 -16.907 -28.941 21 2HG MET 2 1HG MET 2 -28.137 -17.827 -28.944 22 1HE MET 2 1HE MET 2 -27.166 -14.367 -30.449 23 2HE MET 2 2HE MET 2 -28.709 -14.860 -31.141 24 3HE MET 2 3HE MET 2 -27.449 -16.061 -30.874 25 H LYS 3 H LYS 3 -25.941 -19.419 -26.312 26 HA LYS 3 HA LYS 3 -25.899 -19.589 -23.408 27 1HB LYS 3 2HB LYS 3 -25.916 -22.122 -23.418 28 2HB LYS 3 1HB LYS 3 -27.461 -21.388 -23.845 29 1HG LYS 3 2HG LYS 3 -26.608 -21.557 -26.297 30 2HG LYS 3 1HG LYS 3 -25.447 -22.716 -25.650 31 1HD LYS 3 2HD LYS 3 -27.039 -24.302 -25.742 32 2HD LYS 3 1HD LYS 3 -27.963 -23.398 -24.541 33 1HE LYS 3 2HE LYS 3 -29.367 -22.470 -26.122 34 2HE LYS 3 1HE LYS 3 -28.107 -22.444 -27.373 35 1HZ LYS 3 1HZ LYS 3 -29.417 -24.885 -26.296 36 2HZ LYS 3 2HZ LYS 3 -28.206 -24.852 -27.487 37 3HZ LYS 3 3HZ LYS 3 -29.737 -24.189 -27.809 38 H LYS 4 H LYS 4 -23.769 -19.871 -22.722 39 HA LYS 4 HA LYS 4 -21.770 -20.902 -24.687 40 1HB LYS 4 2HB LYS 4 -21.420 -18.346 -23.101 41 2HB LYS 4 1HB LYS 4 -20.439 -18.922 -24.449 42 1HG LYS 4 2HG LYS 4 -22.807 -18.861 -25.695 43 2HG LYS 4 1HG LYS 4 -23.126 -17.625 -24.477 44 1HD LYS 4 2HD LYS 4 -20.523 -17.111 -25.454 45 2HD LYS 4 1HD LYS 4 -21.526 -17.428 -26.870 46 1HE LYS 4 2HE LYS 4 -22.422 -15.358 -26.676 47 2HE LYS 4 1HE LYS 4 -23.036 -15.787 -25.066 48 1HZ LYS 4 1HZ LYS 4 -20.179 -15.173 -25.443 49 2HZ LYS 4 2HZ LYS 4 -21.123 -15.055 -24.035 50 3HZ LYS 4 3HZ LYS 4 -21.293 -13.905 -25.273 51 H LYS 5 H LYS 5 -19.509 -20.881 -23.411 52 HA LYS 5 HA LYS 5 -19.392 -21.068 -20.585 53 1HB LYS 5 2HB LYS 5 -20.728 -23.257 -21.991 54 2HB LYS 5 1HB LYS 5 -19.387 -23.825 -20.996 55 1HG LYS 5 2HG LYS 5 -20.409 -23.230 -19.038 56 2HG LYS 5 1HG LYS 5 -21.158 -21.798 -19.746 57 1HD LYS 5 2HD LYS 5 -22.522 -23.655 -21.107 58 2HD LYS 5 1HD LYS 5 -22.144 -24.614 -19.675 59 1HE LYS 5 2HE LYS 5 -23.035 -22.664 -18.282 60 2HE LYS 5 1HE LYS 5 -23.670 -21.998 -19.800 61 1HZ LYS 5 1HZ LYS 5 -24.293 -24.613 -18.554 62 2HZ LYS 5 2HZ LYS 5 -24.621 -24.291 -20.190 63 3HZ LYS 5 3HZ LYS 5 -25.371 -23.372 -18.973 64 H ASP 6 H ASP 6 -17.208 -20.884 -20.293 65 HA ASP 6 HA ASP 6 -15.268 -22.760 -21.155 66 1HB ASP 6 2HB ASP 6 -16.196 -20.833 -23.149 67 2HB ASP 6 1HB ASP 6 -14.449 -20.759 -22.919 68 H GLU 7 H GLU 7 -13.105 -22.090 -20.539 69 HA GLU 7 HA GLU 7 -13.041 -19.533 -18.967 70 1HB GLU 7 2HB GLU 7 -12.050 -22.328 -18.513 71 2HB GLU 7 1HB GLU 7 -11.172 -20.990 -17.771 72 1HG GLU 7 2HG GLU 7 -12.751 -20.772 -16.184 73 2HG GLU 7 1HG GLU 7 -14.007 -20.604 -17.412 74 H GLY 8 H GLY 8 -10.517 -19.005 -18.582 75 1HA GLY 8 2HA GLY 8 -8.703 -19.678 -20.728 76 2HA GLY 8 1HA GLY 8 -9.419 -18.085 -20.984 77 H SER 9 H SER 9 -7.374 -19.982 -18.830 78 HA SER 9 HA SER 9 -6.856 -17.895 -16.923 79 1HB SER 9 2HB SER 9 -5.239 -20.321 -17.759 80 2HB SER 9 1HB SER 9 -5.027 -19.418 -16.261 81 HG SER 9 HG SER 9 -7.586 -20.336 -16.890 82 H TYR 10 H TYR 10 -6.634 -16.443 -19.162 83 HA TYR 10 HA TYR 10 -3.767 -15.745 -19.256 84 1HB TYR 10 2HB TYR 10 -4.295 -17.615 -20.935 85 2HB TYR 10 1HB TYR 10 -5.257 -16.418 -21.804 86 HD1 TYR 10 HD1 TYR 10 -4.026 -15.928 -23.753 87 HD2 TYR 10 HD2 TYR 10 -2.040 -15.996 -19.944 88 HE1 TYR 10 HE1 TYR 10 -1.967 -15.039 -24.810 89 HE2 TYR 10 HE2 TYR 10 0.019 -15.107 -21.002 90 HH TYR 10 HH TYR 10 0.403 -13.604 -23.297 91 H ASP 11 H ASP 11 -4.009 -13.570 -18.821 92 HA ASP 11 HA ASP 11 -5.332 -11.844 -20.729 93 1HB ASP 11 2HB ASP 11 -6.749 -12.908 -18.407 94 2HB ASP 11 1HB ASP 11 -6.749 -11.144 -18.430 95 H LEU 12 H LEU 12 -5.766 -9.644 -18.974 96 HA LEU 12 HA LEU 12 -4.562 -7.900 -17.928 97 1HB LEU 12 2HB LEU 12 -2.947 -10.258 -16.904 98 2HB LEU 12 1HB LEU 12 -3.069 -8.667 -16.153 99 HG LEU 12 HG LEU 12 -5.549 -10.288 -16.684 100 1HD1 LEU 12 1HD1 LEU 12 -5.107 -10.793 -14.072 101 2HD1 LEU 12 2HD1 LEU 12 -3.437 -10.755 -14.639 102 3HD1 LEU 12 3HD1 LEU 12 -4.584 -11.889 -15.351 103 1HD2 LEU 12 1HD2 LEU 12 -5.727 -7.899 -16.034 104 2HD2 LEU 12 2HD2 LEU 12 -4.791 -8.236 -14.578 105 3HD2 LEU 12 3HD2 LEU 12 -6.386 -8.959 -14.788 106 H GLY 13 H GLY 13 -2.604 -6.665 -18.224 107 1HA GLY 13 2HA GLY 13 -0.854 -7.740 -20.394 108 2HA GLY 13 1HA GLY 13 -1.140 -6.025 -20.097 109 H LYS 14 H LYS 14 -0.502 -5.390 -17.705 110 HA LYS 14 HA LYS 14 1.649 -6.885 -16.467 111 1HB LYS 14 2HB LYS 14 2.169 -4.846 -18.564 112 2HB LYS 14 1HB LYS 14 3.209 -4.779 -17.140 113 1HG LYS 14 2HG LYS 14 4.404 -6.491 -17.969 114 2HG LYS 14 1HG LYS 14 2.974 -7.515 -17.845 115 1HD LYS 14 2HD LYS 14 2.254 -6.433 -20.086 116 2HD LYS 14 1HD LYS 14 3.937 -5.918 -20.214 117 1HE LYS 14 2HE LYS 14 4.256 -8.552 -19.531 118 2HE LYS 14 1HE LYS 14 2.781 -8.622 -20.516 119 1HZ LYS 14 1HZ LYS 14 3.994 -7.084 -22.095 120 2HZ LYS 14 2HZ LYS 14 4.542 -8.692 -22.050 121 3HZ LYS 14 3HZ LYS 14 5.411 -7.473 -21.248 122 H LYS 15 H LYS 15 2.001 -3.439 -16.667 123 HA LYS 15 HA LYS 15 0.388 -3.010 -14.211 124 1HB LYS 15 2HB LYS 15 2.258 -3.199 -12.946 125 2HB LYS 15 1HB LYS 15 3.260 -3.373 -14.382 126 1HG LYS 15 2HG LYS 15 3.335 -0.912 -14.623 127 2HG LYS 15 1HG LYS 15 2.348 -0.745 -13.171 128 1HD LYS 15 2HD LYS 15 4.155 -0.975 -11.849 129 2HD LYS 15 1HD LYS 15 4.593 -2.487 -12.646 130 1HE LYS 15 2HE LYS 15 5.714 -1.226 -14.452 131 2HE LYS 15 1HE LYS 15 5.274 0.299 -13.657 132 1HZ LYS 15 1HZ LYS 15 7.169 -1.766 -12.792 133 2HZ LYS 15 2HZ LYS 15 6.311 -0.917 -11.597 134 3HZ LYS 15 3HZ LYS 15 7.299 -0.077 -12.696 135 HA PRO 16 HA PRO 16 -0.373 0.688 -16.538 136 1HB PRO 16 2HB PRO 16 -1.846 1.985 -14.631 137 2HB PRO 16 1HB PRO 16 -2.493 0.654 -15.613 138 1HG PRO 16 2HG PRO 16 -1.483 0.623 -12.815 139 2HG PRO 16 1HG PRO 16 -2.851 -0.241 -13.531 140 1HD PRO 16 2HD PRO 16 -0.433 -1.400 -13.017 141 2HD PRO 16 1HD PRO 16 -1.538 -1.951 -14.294 142 H ILE 17 H ILE 17 0.376 2.887 -16.515 143 HA ILE 17 HA ILE 17 2.080 3.678 -14.193 144 HB ILE 17 HB ILE 17 2.876 4.151 -17.045 145 1HG1 ILE 17 2HG1 ILE 17 3.970 1.811 -15.516 146 2HG1 ILE 17 1HG1 ILE 17 2.467 1.616 -16.414 147 1HG2 ILE 17 1HG2 ILE 17 4.378 5.334 -15.812 148 2HG2 ILE 17 2HG2 ILE 17 5.143 3.758 -15.607 149 3HG2 ILE 17 3HG2 ILE 17 4.072 4.388 -14.355 150 1HD1 ILE 17 1HD1 ILE 17 5.200 2.308 -17.468 151 2HD1 ILE 17 2HD1 ILE 17 3.749 2.707 -18.387 152 3HD1 ILE 17 3HD1 ILE 17 4.107 1.025 -17.991 153 H TYR 18 H TYR 18 2.850 6.136 -14.864 154 HA TYR 18 HA TYR 18 0.895 7.689 -16.344 155 1HB TYR 18 2HB TYR 18 0.354 6.919 -13.617 156 2HB TYR 18 1HB TYR 18 0.528 8.672 -13.709 157 HD1 TYR 18 HD1 TYR 18 -0.867 9.981 -15.334 158 HD2 TYR 18 HD2 TYR 18 -1.534 5.803 -14.591 159 HE1 TYR 18 HE1 TYR 18 -3.122 10.160 -16.350 160 HE2 TYR 18 HE2 TYR 18 -3.789 5.984 -15.606 161 HH TYR 18 HH TYR 18 -4.751 8.194 -17.564 162 H LYS 19 H LYS 19 3.044 8.417 -17.124 163 HA LYS 19 HA LYS 19 3.983 10.774 -15.642 164 1HB LYS 19 2HB LYS 19 5.107 8.290 -15.092 165 2HB LYS 19 1HB LYS 19 6.232 8.997 -16.253 166 1HG LYS 19 2HG LYS 19 7.042 10.394 -14.689 167 2HG LYS 19 1HG LYS 19 5.422 11.005 -14.349 168 1HD LYS 19 2HD LYS 19 6.380 10.022 -12.319 169 2HD LYS 19 1HD LYS 19 5.018 9.047 -12.873 170 1HE LYS 19 2HE LYS 19 6.384 7.244 -12.953 171 2HE LYS 19 1HE LYS 19 7.359 8.066 -14.188 172 1HZ LYS 19 1HZ LYS 19 8.634 9.145 -12.537 173 2HZ LYS 19 2HZ LYS 19 8.566 7.512 -12.069 174 3HZ LYS 19 3HZ LYS 19 7.587 8.663 -11.292 175 H LYS 20 H LYS 20 3.717 12.075 -17.468 176 HA LYS 20 HA LYS 20 5.672 12.232 -19.480 177 1HB LYS 20 2HB LYS 20 5.099 10.127 -20.354 178 2HB LYS 20 1HB LYS 20 3.383 10.350 -20.020 179 1HG LYS 20 2HG LYS 20 4.072 10.516 -22.474 180 2HG LYS 20 1HG LYS 20 3.130 11.869 -21.849 181 1HD LYS 20 2HD LYS 20 4.790 13.285 -22.379 182 2HD LYS 20 1HD LYS 20 5.894 12.394 -21.331 183 1HE LYS 20 2HE LYS 20 6.646 12.522 -23.752 184 2HE LYS 20 1HE LYS 20 6.459 10.862 -23.148 185 1HZ LYS 20 1HZ LYS 20 5.273 11.649 -25.352 186 2HZ LYS 20 2HZ LYS 20 4.099 12.195 -24.252 187 3HZ LYS 20 3HZ LYS 20 4.532 10.553 -24.293 188 H ALA 21 H ALA 21 5.324 14.118 -20.673 189 HA ALA 21 HA ALA 21 2.601 15.180 -21.060 190 1HB ALA 21 1HB ALA 21 3.298 17.303 -19.806 191 2HB ALA 21 2HB ALA 21 4.646 16.361 -19.166 192 3HB ALA 21 3HB ALA 21 2.987 15.885 -18.804 193 HA PRO 22 HA PRO 22 4.827 16.743 -24.545 194 1HB PRO 22 2HB PRO 22 2.840 18.330 -25.555 195 2HB PRO 22 1HB PRO 22 2.835 16.562 -25.707 196 1HG PRO 22 2HG PRO 22 1.340 18.304 -23.814 197 2HG PRO 22 1HG PRO 22 0.825 16.821 -24.633 198 1HD PRO 22 2HD PRO 22 1.615 16.918 -22.017 199 2HD PRO 22 1HD PRO 22 1.743 15.468 -23.037 200 H THR 23 H THR 23 6.427 18.194 -23.924 201 HA THR 23 HA THR 23 6.364 20.375 -22.248 202 HB THR 23 HB THR 23 7.777 20.691 -24.861 203 HG1 THR 23 HG1 THR 23 8.312 18.669 -24.821 204 1HG2 THR 23 1HG2 THR 23 9.203 20.501 -22.275 205 2HG2 THR 23 2HG2 THR 23 8.044 21.825 -22.403 206 3HG2 THR 23 3HG2 THR 23 9.363 21.693 -23.566 207 H ASN 24 H ASN 24 6.121 22.710 -22.640 208 HA ASN 24 HA ASN 24 3.951 23.283 -24.605 209 1HB ASN 24 2HB ASN 24 3.596 23.797 -22.224 210 2HB ASN 24 1HB ASN 24 5.051 24.796 -22.212 211 1HD2 ASN 24 1HD2 ASN 24 4.589 26.982 -22.430 212 2HD2 ASN 24 2HD2 ASN 24 3.274 27.624 -23.290 213 H GLU 25 H GLU 25 4.110 25.382 -25.793 214 HA GLU 25 HA GLU 25 6.941 26.250 -26.265 215 1HB GLU 25 2HB GLU 25 5.430 24.665 -27.929 216 2HB GLU 25 1HB GLU 25 5.097 26.274 -28.568 217 1HG GLU 25 2HG GLU 25 7.883 26.160 -28.013 218 2HG GLU 25 1HG GLU 25 7.466 24.687 -28.890 219 H PHE 26 H PHE 26 6.015 28.080 -28.376 220 HA PHE 26 HA PHE 26 4.476 30.051 -26.714 221 1HB PHE 26 2HB PHE 26 6.775 30.712 -26.742 222 2HB PHE 26 1HB PHE 26 6.933 30.337 -28.458 223 HD1 PHE 26 HD1 PHE 26 5.488 32.695 -25.999 224 HD2 PHE 26 HD2 PHE 26 6.162 31.867 -30.160 225 HE1 PHE 26 HE1 PHE 26 4.826 35.017 -26.568 226 HE2 PHE 26 HE2 PHE 26 5.500 34.189 -30.729 227 HZ PHE 26 HZ PHE 26 4.832 35.764 -28.933 228 H TYR 27 H TYR 27 3.530 31.829 -28.190 229 HA TYR 27 HA TYR 27 3.015 31.045 -30.985 230 1HB TYR 27 2HB TYR 27 1.419 29.638 -29.901 231 2HB TYR 27 1HB TYR 27 0.975 30.903 -28.754 232 HD1 TYR 27 HD1 TYR 27 -0.498 32.732 -29.394 233 HD2 TYR 27 HD2 TYR 27 0.646 29.718 -32.231 234 HE1 TYR 27 HE1 TYR 27 -2.276 33.511 -30.938 235 HE2 TYR 27 HE2 TYR 27 -1.132 30.497 -33.775 236 HH TYR 27 HH TYR 27 -3.231 31.714 -33.695 237 H ALA 28 HN ALA 28 1.441 32.711 -31.984 238 HA ALA 28 HA ALA 28 1.548 35.338 -30.555 239 1HB ALA 28 1HB ALA 28 3.431 35.453 -31.966 240 2HB ALA 28 2HB ALA 28 2.171 36.205 -32.945 241 3HB ALA 28 3HB ALA 28 2.641 34.531 -33.245 242 1H ARG 1 1HT ARG 1 24.082 -27.772 -3.710 243 2H ARG 1 2HT ARG 1 22.863 -28.154 -2.589 244 3H ARG 1 3HT ARG 1 22.975 -26.583 -3.222 245 HA ARG 1 HA ARG 1 22.397 -27.387 -5.429 246 1HB ARG 1 2HB ARG 1 22.733 -29.948 -3.897 247 2HB ARG 1 1HB ARG 1 21.647 -29.922 -5.288 248 1HG ARG 1 2HG ARG 1 23.422 -30.104 -6.654 249 2HG ARG 1 1HG ARG 1 24.019 -28.556 -6.056 250 1HD ARG 1 2HD ARG 1 25.769 -29.695 -5.165 251 2HD ARG 1 1HD ARG 1 24.619 -30.412 -4.018 252 HE ARG 1 HE ARG 1 24.485 -32.355 -5.410 253 1HH1 ARG 1 1HH2 ARG 1 25.354 -29.842 -7.468 254 2HH1 ARG 1 2HH2 ARG 1 26.426 -30.784 -8.449 255 1HH2 ARG 1 1HH1 ARG 1 26.284 -33.572 -6.391 256 2HH2 ARG 1 2HH1 ARG 1 26.952 -32.896 -7.840 257 H MET 2 H MET 2 20.123 -27.617 -6.010 258 HA MET 2 HA MET 2 18.166 -28.014 -3.822 259 1HB MET 2 2HB MET 2 18.931 -25.424 -5.095 260 2HB MET 2 1HB MET 2 17.219 -25.680 -4.755 261 1HG MET 2 2HG MET 2 17.621 -25.108 -2.616 262 2HG MET 2 1HG MET 2 18.593 -26.572 -2.460 263 1HE MET 2 1HE MET 2 19.221 -22.872 -1.413 264 2HE MET 2 2HE MET 2 20.428 -23.885 -0.624 265 3HE MET 2 3HE MET 2 18.770 -24.460 -0.776 266 H LYS 3 H LYS 3 15.859 -27.388 -4.938 267 HA LYS 3 HA LYS 3 15.671 -27.875 -7.800 268 1HB LYS 3 2HB LYS 3 14.613 -30.155 -7.484 269 2HB LYS 3 1HB LYS 3 16.334 -30.099 -7.106 270 1HG LYS 3 2HG LYS 3 15.557 -29.591 -4.676 271 2HG LYS 3 1HG LYS 3 13.997 -30.220 -5.210 272 1HD LYS 3 2HD LYS 3 14.769 -32.306 -4.882 273 2HD LYS 3 1HD LYS 3 15.955 -32.032 -6.159 274 1HE LYS 3 2HE LYS 3 17.662 -31.602 -4.665 275 2HE LYS 3 1HE LYS 3 16.567 -30.893 -3.462 276 1HZ LYS 3 1HZ LYS 3 16.689 -33.771 -4.199 277 2HZ LYS 3 2HZ LYS 3 15.639 -33.083 -3.053 278 3HZ LYS 3 3HZ LYS 3 17.315 -33.098 -2.773 279 H LYS 4 H LYS 4 13.604 -27.309 -8.505 280 HA LYS 4 HA LYS 4 11.410 -27.150 -6.484 281 1HB LYS 4 2HB LYS 4 12.133 -24.899 -8.378 282 2HB LYS 4 1HB LYS 4 11.038 -24.837 -6.997 283 1HG LYS 4 2HG LYS 4 13.242 -25.634 -5.703 284 2HG LYS 4 1HG LYS 4 14.021 -24.807 -7.052 285 1HD LYS 4 2HD LYS 4 11.908 -23.125 -6.216 286 2HD LYS 4 1HD LYS 4 12.721 -23.662 -4.745 287 1HE LYS 4 2HE LYS 4 14.403 -22.208 -5.165 288 2HE LYS 4 1HE LYS 4 14.735 -23.048 -6.693 289 1HZ LYS 4 1HZ LYS 4 12.418 -21.242 -6.471 290 2HZ LYS 4 2HZ LYS 4 13.284 -21.706 -7.858 291 3HZ LYS 4 3HZ LYS 4 13.959 -20.595 -6.763 292 H LYS 5 H LYS 5 9.337 -26.326 -7.814 293 HA LYS 5 HA LYS 5 9.076 -26.787 -10.600 294 1HB LYS 5 2HB LYS 5 9.396 -29.148 -8.902 295 2HB LYS 5 1HB LYS 5 7.914 -29.210 -9.856 296 1HG LYS 5 2HG LYS 5 9.039 -29.346 -11.844 297 2HG LYS 5 1HG LYS 5 10.342 -28.293 -11.294 298 1HD LYS 5 2HD LYS 5 10.828 -30.373 -9.683 299 2HD LYS 5 1HD LYS 5 10.041 -31.246 -10.997 300 1HE LYS 5 2HE LYS 5 11.636 -30.043 -12.592 301 2HE LYS 5 1HE LYS 5 12.534 -29.530 -11.149 302 1HZ LYS 5 1HZ LYS 5 11.956 -32.292 -12.052 303 2HZ LYS 5 2HZ LYS 5 12.434 -31.944 -10.459 304 3HZ LYS 5 3HZ LYS 5 13.469 -31.585 -11.757 305 H ASP 6 H ASP 6 7.168 -25.732 -10.970 306 HA ASP 6 HA ASP 6 4.640 -26.490 -9.939 307 1HB ASP 6 2HB ASP 6 6.351 -24.913 -8.170 308 2HB ASP 6 1HB ASP 6 4.795 -24.133 -8.454 309 H GLU 7 H GLU 7 2.950 -25.047 -10.690 310 HA GLU 7 HA GLU 7 3.933 -22.915 -12.562 311 1HB GLU 7 2HB GLU 7 1.839 -25.059 -12.701 312 2HB GLU 7 1HB GLU 7 1.590 -23.576 -13.623 313 1HG GLU 7 2HG GLU 7 3.070 -24.241 -15.181 314 2HG GLU 7 1HG GLU 7 4.311 -24.474 -13.950 315 H GLY 8 H GLY 8 1.862 -21.418 -13.075 316 1HA GLY 8 2HA GLY 8 -0.008 -20.992 -10.914 317 2HA GLY 8 1HA GLY 8 1.322 -19.836 -10.834 318 H SER 9 H SER 9 -1.392 -20.933 -12.796 319 HA SER 9 HA SER 9 -1.028 -19.072 -14.955 320 1HB SER 9 2HB SER 9 -3.497 -20.461 -13.876 321 2HB SER 9 1HB SER 9 -3.349 -19.744 -15.478 322 HG SER 9 HG SER 9 -1.403 -21.574 -14.672 323 H TYR 10 H TYR 10 -0.553 -17.402 -12.917 324 HA TYR 10 HA TYR 10 -2.850 -15.549 -12.985 325 1HB TYR 10 2HB TYR 10 -3.119 -17.248 -11.077 326 2HB TYR 10 1HB TYR 10 -1.718 -16.476 -10.335 327 HD1 TYR 10 HD1 TYR 10 -2.572 -15.279 -8.494 328 HD2 TYR 10 HD2 TYR 10 -4.502 -14.960 -12.317 329 HE1 TYR 10 HE1 TYR 10 -4.030 -13.479 -7.607 330 HE2 TYR 10 HE2 TYR 10 -5.961 -13.160 -11.431 331 HH TYR 10 HH TYR 10 -5.610 -11.371 -9.348 332 H ASP 11 H ASP 11 -1.722 -13.752 -13.673 333 HA ASP 11 HA ASP 11 0.259 -12.533 -11.954 334 1HB ASP 11 2HB ASP 11 1.028 -14.369 -14.091 335 2HB ASP 11 1HB ASP 11 1.776 -12.782 -14.281 336 H LEU 12 H LEU 12 1.538 -10.954 -13.949 337 HA LEU 12 HA LEU 12 1.158 -9.005 -15.231 338 1HB LEU 12 2HB LEU 12 -1.331 -10.562 -16.005 339 2HB LEU 12 1HB LEU 12 -0.568 -9.276 -16.941 340 HG LEU 12 HG LEU 12 1.005 -11.717 -16.149 341 1HD1 LEU 12 1HD1 LEU 12 0.320 -12.299 -18.692 342 2HD1 LEU 12 2HD1 LEU 12 -1.160 -11.489 -18.179 343 3HD1 LEU 12 3HD1 LEU 12 -0.583 -12.908 -17.304 344 1HD2 LEU 12 1HD2 LEU 12 2.162 -9.727 -17.080 345 2HD2 LEU 12 2HD2 LEU 12 1.131 -9.809 -18.508 346 3HD2 LEU 12 3HD2 LEU 12 2.275 -11.108 -18.169 347 H GLY 13 H GLY 13 -0.084 -7.031 -15.139 348 1HA GLY 13 2HA GLY 13 -2.065 -6.993 -12.904 349 2HA GLY 13 1HA GLY 13 -1.088 -5.609 -13.398 350 H LYS 14 H LYS 14 -1.460 -5.058 -15.867 351 HA LYS 14 HA LYS 14 -4.076 -5.639 -16.971 352 1HB LYS 14 2HB LYS 14 -3.625 -3.334 -15.153 353 2HB LYS 14 1HB LYS 14 -4.576 -3.007 -16.601 354 1HG LYS 14 2HG LYS 14 -6.363 -3.935 -15.603 355 2HG LYS 14 1HG LYS 14 -5.505 -5.477 -15.564 356 1HD LYS 14 2HD LYS 14 -4.333 -4.539 -13.452 357 2HD LYS 14 1HD LYS 14 -5.636 -3.348 -13.432 358 1HE LYS 14 2HE LYS 14 -7.059 -5.659 -13.799 359 2HE LYS 14 1HE LYS 14 -5.726 -6.228 -12.774 360 1HZ LYS 14 1HZ LYS 14 -6.130 -4.142 -11.427 361 2HZ LYS 14 2HZ LYS 14 -7.308 -5.359 -11.291 362 3HZ LYS 14 3HZ LYS 14 -7.601 -3.993 -12.258 363 H LYS 15 H LYS 15 -2.930 -2.372 -17.200 364 HA LYS 15 HA LYS 15 -1.353 -2.968 -19.645 365 1HB LYS 15 2HB LYS 15 -3.159 -2.499 -20.928 366 2HB LYS 15 1HB LYS 15 -4.102 -2.057 -19.509 367 1HG LYS 15 2HG LYS 15 -3.120 0.213 -19.570 368 2HG LYS 15 1HG LYS 15 -2.195 -0.231 -21.005 369 1HD LYS 15 2HD LYS 15 -3.965 0.167 -22.337 370 2HD LYS 15 1HD LYS 15 -4.981 -0.907 -21.375 371 1HE LYS 15 2HE LYS 15 -5.412 0.919 -19.766 372 2HE LYS 15 1HE LYS 15 -4.389 2.005 -20.728 373 1HZ LYS 15 1HZ LYS 15 -7.003 0.851 -21.387 374 2HZ LYS 15 2HZ LYS 15 -5.898 1.104 -22.653 375 3HZ LYS 15 3HZ LYS 15 -6.408 2.409 -21.691 376 HA PRO 16 HA PRO 16 0.967 0.311 -17.764 377 1HB PRO 16 2HB PRO 16 2.797 0.619 -19.774 378 2HB PRO 16 1HB PRO 16 2.847 -0.730 -18.621 379 1HG PRO 16 2HG PRO 16 1.843 -0.668 -21.421 380 2HG PRO 16 1HG PRO 16 2.735 -1.938 -20.568 381 1HD PRO 16 2HD PRO 16 0.040 -2.015 -21.004 382 2HD PRO 16 1HD PRO 16 0.842 -2.824 -19.639 383 H ILE 17 H ILE 17 1.219 2.599 -18.073 384 HA ILE 17 HA ILE 17 -0.050 3.750 -20.519 385 HB ILE 17 HB ILE 17 -0.494 4.856 -17.768 386 1HG1 ILE 17 2HG1 ILE 17 -2.518 3.036 -19.031 387 2HG1 ILE 17 1HG1 ILE 17 -1.215 2.333 -18.076 388 1HG2 ILE 17 1HG2 ILE 17 -1.386 6.406 -19.176 389 2HG2 ILE 17 2HG2 ILE 17 -2.752 5.291 -19.209 390 3HG2 ILE 17 3HG2 ILE 17 -1.549 5.251 -20.498 391 1HD1 ILE 17 1HD1 ILE 17 -3.368 4.239 -17.189 392 2HD1 ILE 17 2HD1 ILE 17 -1.859 4.094 -16.284 393 3HD1 ILE 17 3HD1 ILE 17 -2.908 2.689 -16.484 394 H TYR 18 H TYR 18 0.312 6.364 -20.172 395 HA TYR 18 HA TYR 18 2.780 7.108 -18.838 396 1HB TYR 18 2HB TYR 18 2.870 5.858 -21.437 397 2HB TYR 18 1HB TYR 18 3.457 7.516 -21.563 398 HD1 TYR 18 HD1 TYR 18 5.319 8.297 -20.071 399 HD2 TYR 18 HD2 TYR 18 4.133 4.174 -20.284 400 HE1 TYR 18 HE1 TYR 18 7.464 7.626 -19.024 401 HE2 TYR 18 HE2 TYR 18 6.278 3.504 -19.238 402 HH TYR 18 HH TYR 18 8.139 5.318 -17.538 403 H LYS 19 H LYS 19 1.164 8.768 -18.211 404 HA LYS 19 HA LYS 19 1.272 11.101 -19.993 405 1HB LYS 19 2HB LYS 19 -0.813 9.282 -20.268 406 2HB LYS 19 1HB LYS 19 -1.501 10.533 -19.232 407 1HG LYS 19 2HG LYS 19 -1.684 11.941 -20.976 408 2HG LYS 19 1HG LYS 19 0.032 11.761 -21.343 409 1HD LYS 19 2HD LYS 19 -1.307 11.039 -23.263 410 2HD LYS 19 1HD LYS 19 -0.472 9.654 -22.560 411 1HE LYS 19 2HE LYS 19 -2.471 8.625 -22.298 412 2HE LYS 19 1HE LYS 19 -2.972 9.925 -21.199 413 1HZ LYS 19 1HZ LYS 19 -3.714 11.233 -23.003 414 2HZ LYS 19 2HZ LYS 19 -4.355 9.683 -23.267 415 3HZ LYS 19 3HZ LYS 19 -3.003 10.208 -24.151 416 H LYS 20 H LYS 20 2.115 12.378 -18.331 417 HA LYS 20 HA LYS 20 0.465 13.591 -16.407 418 1HB LYS 20 2HB LYS 20 0.116 11.565 -15.269 419 2HB LYS 20 1HB LYS 20 1.755 10.997 -15.581 420 1HG LYS 20 2HG LYS 20 1.267 11.736 -13.185 421 2HG LYS 20 1HG LYS 20 2.677 12.475 -13.944 422 1HD LYS 20 2HD LYS 20 1.787 14.514 -13.634 423 2HD LYS 20 1HD LYS 20 0.382 14.056 -14.596 424 1HE LYS 20 2HE LYS 20 -0.179 14.781 -12.230 425 2HE LYS 20 1HE LYS 20 -0.729 13.139 -12.622 426 1HZ LYS 20 1HZ LYS 20 0.738 13.610 -10.499 427 2HZ LYS 20 2HZ LYS 20 2.002 13.469 -11.625 428 3HZ LYS 20 3HZ LYS 20 0.915 12.183 -11.397 429 H ALA 21 H ALA 21 1.612 15.281 -15.442 430 HA ALA 21 HA ALA 21 4.537 15.128 -15.113 431 1HB ALA 21 1HB ALA 21 4.771 17.176 -16.634 432 2HB ALA 21 2HB ALA 21 3.135 16.825 -17.191 433 3HB ALA 21 3HB ALA 21 4.425 15.650 -17.448 434 HA PRO 22 HA PRO 22 3.277 17.896 -11.905 435 1HB PRO 22 2HB PRO 22 5.777 18.601 -11.041 436 2HB PRO 22 1HB PRO 22 5.037 17.030 -10.677 437 1HG PRO 22 2HG PRO 22 7.077 17.731 -12.724 438 2HG PRO 22 1HG PRO 22 6.937 16.281 -11.719 439 1HD PRO 22 2HD PRO 22 6.193 16.386 -14.347 440 2HD PRO 22 1HD PRO 22 5.490 15.262 -13.164 441 H THR 23 H THR 23 2.429 19.800 -12.740 442 HA THR 23 HA THR 23 3.363 21.529 -14.666 443 HB THR 23 HB THR 23 2.289 22.729 -12.148 444 HG1 THR 23 HG1 THR 23 0.946 21.135 -11.958 445 1HG2 THR 23 1HG2 THR 23 0.848 22.848 -14.730 446 2HG2 THR 23 2HG2 THR 23 2.462 23.561 -14.733 447 3HG2 THR 23 3HG2 THR 23 1.243 24.142 -13.597 448 H ASN 24 H ASN 24 4.584 23.569 -14.552 449 HA ASN 24 HA ASN 24 6.845 23.403 -12.614 450 1HB ASN 24 2HB ASN 24 7.319 23.425 -15.029 451 2HB ASN 24 1HB ASN 24 6.425 24.936 -15.201 452 1HD2 ASN 24 1HD2 ASN 24 7.776 26.729 -15.237 453 2HD2 ASN 24 2HD2 ASN 24 9.261 26.853 -14.425 454 H GLU 25 H GLU 25 7.621 25.497 -11.693 455 HA GLU 25 HA GLU 25 5.439 27.535 -11.406 456 1HB GLU 25 2HB GLU 25 6.181 25.672 -9.522 457 2HB GLU 25 1HB GLU 25 7.183 27.053 -9.074 458 1HG GLU 25 2HG GLU 25 4.597 28.063 -9.687 459 2HG GLU 25 1HG GLU 25 4.373 26.672 -8.626 460 H PHE 26 H PHE 26 7.111 29.039 -9.509 461 HA PHE 26 HA PHE 26 9.295 29.956 -11.355 462 1HB PHE 26 2HB PHE 26 7.492 31.526 -11.470 463 2HB PHE 26 1HB PHE 26 7.238 31.465 -9.725 464 HD1 PHE 26 HD1 PHE 26 9.480 32.671 -12.411 465 HD2 PHE 26 HD2 PHE 26 8.631 32.718 -8.202 466 HE1 PHE 26 HE1 PHE 26 11.078 34.543 -12.110 467 HE2 PHE 26 HE2 PHE 26 10.229 34.590 -7.900 468 HZ PHE 26 HZ PHE 26 11.453 35.503 -9.854 469 H TYR 27 H TYR 27 10.944 31.328 -10.081 470 HA TYR 27 HA TYR 27 11.154 30.746 -7.198 471 1HB TYR 27 2HB TYR 27 11.973 28.675 -8.059 472 2HB TYR 27 1HB TYR 27 12.879 29.483 -9.339 473 HD1 TYR 27 HD1 TYR 27 15.005 30.580 -8.887 474 HD2 TYR 27 HD2 TYR 27 12.770 28.701 -5.736 475 HE1 TYR 27 HE1 TYR 27 16.987 30.713 -7.401 476 HE2 TYR 27 HE2 TYR 27 14.751 28.834 -4.251 477 HH TYR 27 HH TYR 27 17.165 29.028 -4.422 478 H ALA 28 HN ALA 28 13.312 31.695 -6.366 479 HA ALA 28 HA ALA 28 14.289 33.926 -8.105 480 1HB ALA 28 1HB ALA 28 12.672 34.998 -6.769 481 2HB ALA 28 2HB ALA 28 14.157 35.257 -5.854 482 3HB ALA 28 3HB ALA 28 13.031 33.991 -5.367 Start of MODEL 9 1 1H ARG 1 1HT ARG 1 -3.517 -35.566 0.769 2 2H ARG 1 2HT ARG 1 -3.742 -36.348 -0.722 3 3H ARG 1 3HT ARG 1 -4.822 -35.135 -0.225 4 HA ARG 1 HA ARG 1 -2.658 -33.673 -0.171 5 1HB ARG 1 2HB ARG 1 -2.102 -35.884 -2.176 6 2HB ARG 1 1HB ARG 1 -1.068 -34.493 -1.851 7 1HG ARG 1 2HG ARG 1 -1.332 -35.462 0.662 8 2HG ARG 1 1HG ARG 1 -1.472 -36.963 -0.254 9 1HD ARG 1 2HD ARG 1 0.762 -36.978 -0.615 10 2HD ARG 1 1HD ARG 1 0.676 -35.363 -1.346 11 HE ARG 1 HE ARG 1 0.534 -35.503 1.611 12 1HH1 ARG 1 1HH2 ARG 1 3.293 -36.228 0.841 13 2HH1 ARG 1 2HH2 ARG 1 4.073 -34.688 0.700 14 1HH2 ARG 1 1HH1 ARG 1 1.104 -32.905 0.520 15 2HH2 ARG 1 2HH1 ARG 1 2.833 -32.806 0.519 16 H MET 2 H MET 2 -2.114 -33.591 -3.138 17 HA MET 2 HA MET 2 -4.501 -32.062 -3.894 18 1HB MET 2 2HB MET 2 -2.365 -31.174 -4.484 19 2HB MET 2 1HB MET 2 -1.824 -32.719 -5.141 20 1HG MET 2 2HG MET 2 -4.264 -31.815 -6.442 21 2HG MET 2 1HG MET 2 -2.978 -30.617 -6.584 22 1HE MET 2 1HE MET 2 -4.722 -33.230 -7.719 23 2HE MET 2 2HE MET 2 -3.713 -34.668 -7.586 24 3HE MET 2 3HE MET 2 -3.872 -33.853 -9.140 25 H LYS 3 H LYS 3 -6.066 -32.721 -5.368 26 HA LYS 3 HA LYS 3 -5.740 -34.816 -7.304 27 1HB LYS 3 2HB LYS 3 -7.214 -36.483 -6.019 28 2HB LYS 3 1HB LYS 3 -5.561 -36.295 -5.432 29 1HG LYS 3 2HG LYS 3 -6.297 -34.789 -3.676 30 2HG LYS 3 1HG LYS 3 -7.941 -34.788 -4.314 31 1HD LYS 3 2HD LYS 3 -8.443 -36.699 -3.230 32 2HD LYS 3 1HD LYS 3 -7.003 -37.499 -3.862 33 1HE LYS 3 2HE LYS 3 -5.761 -37.037 -1.981 34 2HE LYS 3 1HE LYS 3 -6.556 -35.471 -1.720 35 1HZ LYS 3 1HZ LYS 3 -7.365 -36.946 -0.059 36 2HZ LYS 3 2HZ LYS 3 -7.674 -38.172 -1.195 37 3HZ LYS 3 3HZ LYS 3 -8.613 -36.755 -1.192 38 H LYS 4 H LYS 4 -6.891 -32.360 -7.596 39 HA LYS 4 HA LYS 4 -9.639 -33.021 -8.362 40 1HB LYS 4 2HB LYS 4 -10.623 -31.277 -6.866 41 2HB LYS 4 1HB LYS 4 -9.881 -32.596 -5.960 42 1HG LYS 4 2HG LYS 4 -7.768 -31.179 -5.861 43 2HG LYS 4 1HG LYS 4 -8.740 -29.843 -6.480 44 1HD LYS 4 2HD LYS 4 -8.682 -29.719 -4.047 45 2HD LYS 4 1HD LYS 4 -10.311 -30.153 -4.563 46 1HE LYS 4 2HE LYS 4 -10.100 -32.366 -3.827 47 2HE LYS 4 1HE LYS 4 -8.328 -32.331 -3.926 48 1HZ LYS 4 1HZ LYS 4 -9.816 -30.531 -2.112 49 2HZ LYS 4 2HZ LYS 4 -8.172 -30.958 -2.063 50 3HZ LYS 4 3HZ LYS 4 -9.361 -32.089 -1.623 51 H LYS 5 H LYS 5 -10.600 -30.378 -8.582 52 HA LYS 5 HA LYS 5 -9.549 -29.452 -11.008 53 1HB LYS 5 2HB LYS 5 -10.761 -27.825 -8.749 54 2HB LYS 5 1HB LYS 5 -10.775 -27.400 -10.461 55 1HG LYS 5 2HG LYS 5 -12.736 -28.503 -10.610 56 2HG LYS 5 1HG LYS 5 -11.816 -29.992 -10.388 57 1HD LYS 5 2HD LYS 5 -12.046 -29.032 -7.805 58 2HD LYS 5 1HD LYS 5 -13.603 -28.609 -8.517 59 1HE LYS 5 2HE LYS 5 -14.087 -30.878 -9.074 60 2HE LYS 5 1HE LYS 5 -12.406 -31.379 -8.801 61 1HZ LYS 5 1HZ LYS 5 -12.602 -31.157 -6.539 62 2HZ LYS 5 2HZ LYS 5 -14.169 -31.689 -6.924 63 3HZ LYS 5 3HZ LYS 5 -13.875 -30.041 -6.636 64 H ASP 6 H ASP 6 -7.909 -27.981 -11.565 65 HA ASP 6 HA ASP 6 -6.429 -26.502 -9.501 66 1HB ASP 6 2HB ASP 6 -5.645 -29.147 -10.504 67 2HB ASP 6 1HB ASP 6 -4.368 -27.940 -10.677 68 H GLU 7 H GLU 7 -7.700 -25.308 -11.551 69 HA GLU 7 HA GLU 7 -5.738 -24.956 -13.775 70 1HB GLU 7 2HB GLU 7 -8.549 -23.862 -13.511 71 2HB GLU 7 1HB GLU 7 -7.623 -24.115 -14.992 72 1HG GLU 7 2HG GLU 7 -8.606 -26.299 -13.131 73 2HG GLU 7 1HG GLU 7 -9.299 -25.897 -14.702 74 H GLY 8 H GLY 8 -5.348 -22.672 -14.482 75 1HA GLY 8 2HA GLY 8 -5.283 -20.841 -12.121 76 2HA GLY 8 1HA GLY 8 -4.132 -20.783 -13.457 77 H SER 9 H SER 9 -4.544 -19.313 -15.038 78 HA SER 9 HA SER 9 -7.227 -18.664 -15.933 79 1HB SER 9 2HB SER 9 -6.244 -17.399 -13.602 80 2HB SER 9 1HB SER 9 -6.156 -16.193 -14.882 81 HG SER 9 HG SER 9 -8.248 -16.689 -13.582 82 H TYR 10 H TYR 10 -6.546 -15.951 -16.744 83 HA TYR 10 HA TYR 10 -4.036 -15.739 -18.079 84 1HB TYR 10 2HB TYR 10 -4.632 -17.698 -19.304 85 2HB TYR 10 1HB TYR 10 -6.287 -17.136 -19.538 86 HD1 TYR 10 HD1 TYR 10 -6.412 -17.097 -21.923 87 HD2 TYR 10 HD2 TYR 10 -3.197 -15.100 -19.893 88 HE1 TYR 10 HE1 TYR 10 -5.745 -16.010 -24.050 89 HE2 TYR 10 HE2 TYR 10 -2.530 -14.013 -22.020 90 HH TYR 10 HH TYR 10 -3.433 -15.022 -24.961 91 H ASP 11 H ASP 11 -4.286 -13.503 -17.680 92 HA ASP 11 HA ASP 11 -5.842 -11.990 -19.594 93 1HB ASP 11 2HB ASP 11 -7.037 -12.852 -17.131 94 2HB ASP 11 1HB ASP 11 -6.873 -11.096 -17.094 95 H LEU 12 H LEU 12 -6.071 -9.629 -17.933 96 HA LEU 12 HA LEU 12 -4.744 -7.793 -17.260 97 1HB LEU 12 2HB LEU 12 -3.015 -10.099 -16.303 98 2HB LEU 12 1HB LEU 12 -2.898 -8.432 -15.740 99 HG LEU 12 HG LEU 12 -5.366 -10.178 -15.497 100 1HD1 LEU 12 1HD1 LEU 12 -4.230 -9.307 -13.001 101 2HD1 LEU 12 2HD1 LEU 12 -2.985 -10.123 -13.948 102 3HD1 LEU 12 3HD1 LEU 12 -4.494 -10.954 -13.573 103 1HD2 LEU 12 1HD2 LEU 12 -5.035 -7.365 -15.438 104 2HD2 LEU 12 2HD2 LEU 12 -5.241 -7.872 -13.762 105 3HD2 LEU 12 3HD2 LEU 12 -6.464 -8.282 -14.964 106 H GLY 13 H GLY 13 -2.785 -6.620 -17.877 107 1HA GLY 13 2HA GLY 13 -1.443 -7.831 -20.257 108 2HA GLY 13 1HA GLY 13 -1.669 -6.097 -20.018 109 H LYS 14 H LYS 14 -0.696 -5.428 -17.695 110 HA LYS 14 HA LYS 14 1.674 -6.863 -16.845 111 1HB LYS 14 2HB LYS 14 2.378 -6.056 -19.069 112 2HB LYS 14 1HB LYS 14 1.977 -4.404 -18.596 113 1HG LYS 14 2HG LYS 14 3.877 -4.163 -17.375 114 2HG LYS 14 1HG LYS 14 3.762 -5.792 -16.708 115 1HD LYS 14 2HD LYS 14 4.363 -5.692 -19.596 116 2HD LYS 14 1HD LYS 14 5.623 -5.020 -18.561 117 1HE LYS 14 2HE LYS 14 6.288 -7.203 -18.350 118 2HE LYS 14 1HE LYS 14 4.941 -7.321 -17.199 119 1HZ LYS 14 1HZ LYS 14 3.470 -7.789 -19.108 120 2HZ LYS 14 2HZ LYS 14 4.653 -8.988 -18.883 121 3HZ LYS 14 3HZ LYS 14 4.828 -7.839 -20.122 122 H LYS 15 H LYS 15 2.151 -3.474 -16.973 123 HA LYS 15 HA LYS 15 0.836 -3.068 -14.323 124 1HB LYS 15 2HB LYS 15 3.029 -1.949 -13.644 125 2HB LYS 15 1HB LYS 15 3.100 -3.703 -13.824 126 1HG LYS 15 2HG LYS 15 4.481 -3.588 -15.627 127 2HG LYS 15 1HG LYS 15 3.633 -2.199 -16.307 128 1HD LYS 15 2HD LYS 15 4.737 -0.708 -14.700 129 2HD LYS 15 1HD LYS 15 5.556 -2.087 -13.964 130 1HE LYS 15 2HE LYS 15 5.878 -1.737 -16.916 131 2HE LYS 15 1HE LYS 15 6.761 -0.622 -15.853 132 1HZ LYS 15 1HZ LYS 15 6.720 -3.440 -15.095 133 2HZ LYS 15 2HZ LYS 15 7.959 -2.290 -14.925 134 3HZ LYS 15 3HZ LYS 15 7.681 -3.028 -16.430 135 HA PRO 16 HA PRO 16 -0.278 0.668 -16.437 136 1HB PRO 16 2HB PRO 16 -1.451 1.920 -14.306 137 2HB PRO 16 1HB PRO 16 -2.234 0.607 -15.207 138 1HG PRO 16 2HG PRO 16 -0.819 0.525 -12.592 139 2HG PRO 16 1HG PRO 16 -2.278 -0.332 -13.114 140 1HD PRO 16 2HD PRO 16 0.193 -1.489 -12.990 141 2HD PRO 16 1HD PRO 16 -1.090 -2.020 -14.100 142 H ILE 17 H ILE 17 0.426 2.892 -16.454 143 HA ILE 17 HA ILE 17 2.532 3.595 -14.446 144 HB ILE 17 HB ILE 17 2.706 4.246 -17.375 145 1HG1 ILE 17 2HG1 ILE 17 3.889 1.784 -16.065 146 2HG1 ILE 17 1HG1 ILE 17 2.430 1.752 -17.055 147 1HG2 ILE 17 1HG2 ILE 17 5.232 3.815 -16.436 148 2HG2 ILE 17 2HG2 ILE 17 4.428 4.414 -14.986 149 3HG2 ILE 17 3HG2 ILE 17 4.443 5.391 -16.453 150 1HD1 ILE 17 1HD1 ILE 17 4.196 1.207 -18.551 151 2HD1 ILE 17 2HD1 ILE 17 5.240 2.471 -17.901 152 3HD1 ILE 17 3HD1 ILE 17 3.832 2.902 -18.873 153 H TYR 18 H TYR 18 3.131 6.121 -15.179 154 HA TYR 18 HA TYR 18 0.849 7.710 -16.019 155 1HB TYR 18 2HB TYR 18 0.809 6.709 -13.415 156 2HB TYR 18 1HB TYR 18 1.393 8.362 -13.221 157 HD1 TYR 18 HD1 TYR 18 -0.497 9.492 -12.340 158 HD2 TYR 18 HD2 TYR 18 -0.906 7.039 -15.844 159 HE1 TYR 18 HE1 TYR 18 -2.801 10.347 -12.671 160 HE2 TYR 18 HE2 TYR 18 -3.210 7.895 -16.174 161 HH TYR 18 HH TYR 18 -4.641 9.600 -15.564 162 H LYS 19 H LYS 19 3.078 8.144 -17.196 163 HA LYS 19 HA LYS 19 4.322 10.506 -15.848 164 1HB LYS 19 2HB LYS 19 5.537 7.960 -16.830 165 2HB LYS 19 1HB LYS 19 6.458 9.444 -17.079 166 1HG LYS 19 2HG LYS 19 5.301 9.276 -14.395 167 2HG LYS 19 1HG LYS 19 6.412 7.950 -14.741 168 1HD LYS 19 2HD LYS 19 8.079 9.394 -14.250 169 2HD LYS 19 1HD LYS 19 7.710 10.177 -15.788 170 1HE LYS 19 2HE LYS 19 6.879 12.007 -14.736 171 2HE LYS 19 1HE LYS 19 5.861 11.009 -13.678 172 1HZ LYS 19 1HZ LYS 19 7.523 10.756 -12.146 173 2HZ LYS 19 2HZ LYS 19 7.889 12.320 -12.702 174 3HZ LYS 19 3HZ LYS 19 8.768 10.984 -13.276 175 H LYS 20 H LYS 20 6.130 11.146 -17.867 176 HA LYS 20 HA LYS 20 5.291 10.990 -20.545 177 1HB LYS 20 2HB LYS 20 3.511 12.457 -18.838 178 2HB LYS 20 1HB LYS 20 4.240 13.583 -19.983 179 1HG LYS 20 2HG LYS 20 3.666 11.899 -21.810 180 2HG LYS 20 1HG LYS 20 2.690 11.060 -20.603 181 1HD LYS 20 2HD LYS 20 1.012 12.530 -20.886 182 2HD LYS 20 1HD LYS 20 2.092 13.872 -20.508 183 1HE LYS 20 2HE LYS 20 2.585 12.789 -23.185 184 2HE LYS 20 1HE LYS 20 0.933 13.411 -22.992 185 1HZ LYS 20 1HZ LYS 20 3.496 14.814 -22.624 186 2HZ LYS 20 2HZ LYS 20 2.137 15.314 -21.736 187 3HZ LYS 20 3HZ LYS 20 2.099 15.332 -23.434 188 H ALA 21 H ALA 21 5.814 13.413 -21.619 189 HA ALA 21 HA ALA 21 8.635 13.806 -21.133 190 1HB ALA 21 1HB ALA 21 6.999 14.189 -23.203 191 2HB ALA 21 2HB ALA 21 8.471 15.144 -23.025 192 3HB ALA 21 3HB ALA 21 6.916 15.818 -22.536 193 HA PRO 22 HA PRO 22 7.807 16.589 -17.693 194 1HB PRO 22 2HB PRO 22 10.409 16.713 -16.853 195 2HB PRO 22 1HB PRO 22 9.330 15.360 -16.458 196 1HG PRO 22 2HG PRO 22 11.458 15.540 -18.528 197 2HG PRO 22 1HG PRO 22 10.999 14.177 -17.494 198 1HD PRO 22 2HD PRO 22 10.274 14.404 -20.120 199 2HD PRO 22 1HD PRO 22 9.340 13.496 -18.911 200 H THR 23 H THR 23 7.374 18.566 -18.720 201 HA THR 23 HA THR 23 8.769 19.997 -20.613 202 HB THR 23 HB THR 23 7.359 20.933 -18.097 203 HG1 THR 23 HG1 THR 23 6.644 20.222 -20.693 204 1HG2 THR 23 1HG2 THR 23 8.409 22.464 -20.474 205 2HG2 THR 23 2HG2 THR 23 8.614 22.824 -18.760 206 3HG2 THR 23 3HG2 THR 23 7.045 23.058 -19.528 207 H ASN 24 H ASN 24 10.265 21.895 -20.360 208 HA ASN 24 HA ASN 24 12.338 21.321 -18.280 209 1HB ASN 24 2HB ASN 24 12.565 21.394 -20.950 210 2HB ASN 24 1HB ASN 24 12.787 23.114 -20.630 211 1HD2 ASN 24 1HD2 ASN 24 13.832 20.257 -18.697 212 2HD2 ASN 24 2HD2 ASN 24 15.479 20.667 -18.710 213 H GLU 25 H GLU 25 13.537 23.366 -17.543 214 HA GLU 25 HA GLU 25 11.566 25.588 -17.117 215 1HB GLU 25 2HB GLU 25 12.886 23.899 -15.329 216 2HB GLU 25 1HB GLU 25 13.811 25.398 -15.256 217 1HG GLU 25 2HG GLU 25 10.930 25.882 -15.299 218 2HG GLU 25 1HG GLU 25 11.421 24.897 -13.921 219 H PHE 26 H PHE 26 13.708 27.204 -15.877 220 HA PHE 26 HA PHE 26 14.850 28.325 -18.364 221 1HB PHE 26 2HB PHE 26 13.729 29.684 -16.587 222 2HB PHE 26 1HB PHE 26 15.011 29.221 -15.468 223 HD1 PHE 26 HD1 PHE 26 14.332 30.963 -18.689 224 HD2 PHE 26 HD2 PHE 26 17.125 30.310 -15.492 225 HE1 PHE 26 HE1 PHE 26 15.758 32.796 -19.560 226 HE2 PHE 26 HE2 PHE 26 18.551 32.143 -16.363 227 HZ PHE 26 HZ PHE 26 17.867 33.386 -18.397 228 H TYR 27 H TYR 27 17.232 29.147 -18.081 229 HA TYR 27 HA TYR 27 18.880 26.803 -17.311 230 1HB TYR 27 2HB TYR 27 18.857 28.767 -19.349 231 2HB TYR 27 1HB TYR 27 20.309 29.072 -18.395 232 HD1 TYR 27 HD1 TYR 27 19.009 27.209 -21.071 233 HD2 TYR 27 HD2 TYR 27 21.617 26.839 -17.678 234 HE1 TYR 27 HE1 TYR 27 20.119 25.263 -22.135 235 HE2 TYR 27 HE2 TYR 27 22.726 24.893 -18.742 236 HH TYR 27 HH TYR 27 22.448 23.302 -20.402 237 H ALA 28 HN ALA 28 19.664 30.273 -17.096 238 HA ALA 28 HA ALA 28 19.713 30.447 -14.232 239 1HB ALA 28 1HB ALA 28 22.464 30.425 -14.558 240 2HB ALA 28 2HB ALA 28 21.937 29.115 -15.614 241 3HB ALA 28 3HB ALA 28 21.510 29.094 -13.903 242 1H ARG 1 1HT ARG 1 -12.019 -35.661 -30.460 243 2H ARG 1 2HT ARG 1 -12.106 -36.279 -28.879 244 3H ARG 1 3HT ARG 1 -10.628 -35.707 -29.490 245 HA ARG 1 HA ARG 1 -11.970 -33.484 -29.779 246 1HB ARG 1 2HB ARG 1 -13.355 -34.991 -27.536 247 2HB ARG 1 1HB ARG 1 -13.710 -33.343 -28.056 248 1HG ARG 1 2HG ARG 1 -13.950 -34.629 -30.425 249 2HG ARG 1 1HG ARG 1 -14.434 -35.925 -29.331 250 1HD ARG 1 2HD ARG 1 -16.454 -34.948 -29.031 251 2HD ARG 1 1HD ARG 1 -15.672 -33.446 -28.499 252 HE ARG 1 HE ARG 1 -15.683 -33.991 -31.412 253 1HH1 ARG 1 1HH2 ARG 1 -18.467 -33.379 -30.634 254 2HH1 ARG 1 2HH2 ARG 1 -18.517 -31.649 -30.702 255 1HH2 ARG 1 1HH1 ARG 1 -15.068 -31.285 -30.660 256 2HH2 ARG 1 2HH1 ARG 1 -16.592 -30.463 -30.717 257 H MET 2 H MET 2 -12.347 -32.821 -26.859 258 HA MET 2 HA MET 2 -9.517 -32.368 -26.230 259 1HB MET 2 2HB MET 2 -11.059 -30.595 -25.811 260 2HB MET 2 1HB MET 2 -12.185 -31.673 -24.985 261 1HG MET 2 2HG MET 2 -9.558 -31.738 -23.739 262 2HG MET 2 1HG MET 2 -10.210 -30.099 -23.778 263 1HE MET 2 1HE MET 2 -9.707 -33.047 -22.287 264 2HE MET 2 2HE MET 2 -11.233 -33.926 -22.272 265 3HE MET 2 3HE MET 2 -10.703 -33.074 -20.825 266 H LYS 3 H LYS 3 -8.339 -33.444 -24.646 267 HA LYS 3 HA LYS 3 -9.469 -34.952 -22.480 268 1HB LYS 3 2HB LYS 3 -8.876 -37.229 -23.513 269 2HB LYS 3 1HB LYS 3 -10.308 -36.431 -24.163 270 1HG LYS 3 2HG LYS 3 -9.051 -35.603 -26.068 271 2HG LYS 3 1HG LYS 3 -7.545 -36.222 -25.390 272 1HD LYS 3 2HD LYS 3 -7.931 -38.281 -26.221 273 2HD LYS 3 1HD LYS 3 -9.557 -38.312 -25.537 274 1HE LYS 3 2HE LYS 3 -10.537 -37.599 -27.492 275 2HE LYS 3 1HE LYS 3 -9.160 -36.562 -27.919 276 1HZ LYS 3 1HZ LYS 3 -9.097 -38.431 -29.367 277 2HZ LYS 3 2HZ LYS 3 -9.305 -39.524 -28.083 278 3HZ LYS 3 3HZ LYS 3 -7.856 -38.650 -28.232 279 H LYS 4 H LYS 4 -7.378 -33.200 -22.457 280 HA LYS 4 HA LYS 4 -5.151 -34.866 -21.542 281 1HB LYS 4 2HB LYS 4 -3.561 -33.898 -23.211 282 2HB LYS 4 1HB LYS 4 -4.816 -34.877 -23.971 283 1HG LYS 4 2HG LYS 4 -6.130 -32.721 -24.298 284 2HG LYS 4 1HG LYS 4 -4.668 -31.860 -23.819 285 1HD LYS 4 2HD LYS 4 -4.735 -32.018 -26.251 286 2HD LYS 4 1HD LYS 4 -3.429 -33.036 -25.641 287 1HE LYS 4 2HE LYS 4 -4.578 -35.022 -26.109 288 2HE LYS 4 1HE LYS 4 -6.165 -34.227 -26.062 289 1HZ LYS 4 1HZ LYS 4 -4.105 -33.462 -28.041 290 2HZ LYS 4 2HZ LYS 4 -5.776 -33.154 -28.082 291 3HZ LYS 4 3HZ LYS 4 -5.190 -34.727 -28.350 292 H LYS 5 H LYS 5 -3.155 -32.872 -21.619 293 HA LYS 5 HA LYS 5 -3.647 -31.302 -19.351 294 1HB LYS 5 2HB LYS 5 -1.922 -30.629 -21.758 295 2HB LYS 5 1HB LYS 5 -1.683 -30.046 -20.110 296 1HG LYS 5 2HG LYS 5 -0.370 -31.850 -19.776 297 2HG LYS 5 1HG LYS 5 -1.841 -32.824 -19.841 298 1HD LYS 5 2HD LYS 5 -1.296 -32.371 -22.514 299 2HD LYS 5 1HD LYS 5 0.313 -32.565 -21.816 300 1HE LYS 5 2HE LYS 5 -0.195 -34.739 -20.976 301 2HE LYS 5 1HE LYS 5 -1.937 -34.510 -21.232 302 1HZ LYS 5 1HZ LYS 5 -1.727 -34.668 -23.497 303 2HZ LYS 5 2HZ LYS 5 -0.523 -35.763 -23.008 304 3HZ LYS 5 3HZ LYS 5 -0.099 -34.194 -23.501 305 H ASP 6 H ASP 6 -4.495 -29.220 -19.021 306 HA ASP 6 HA ASP 6 -5.263 -27.515 -21.289 307 1HB ASP 6 2HB ASP 6 -7.067 -29.435 -19.994 308 2HB ASP 6 1HB ASP 6 -7.706 -27.790 -20.003 309 H GLU 7 H GLU 7 -3.551 -26.733 -19.365 310 HA GLU 7 HA GLU 7 -5.118 -25.316 -17.254 311 1HB GLU 7 2HB GLU 7 -2.116 -25.558 -17.572 312 2HB GLU 7 1HB GLU 7 -3.021 -25.213 -16.098 313 1HG GLU 7 2HG GLU 7 -3.107 -27.816 -17.652 314 2HG GLU 7 1HG GLU 7 -2.266 -27.558 -16.123 315 H GLY 8 H GLY 8 -4.483 -23.015 -16.840 316 1HA GLY 8 2HA GLY 8 -3.831 -21.630 -19.406 317 2HA GLY 8 1HA GLY 8 -4.813 -20.929 -18.118 318 H SER 9 H SER 9 -3.772 -19.592 -16.717 319 HA SER 9 HA SER 9 -1.045 -20.037 -15.835 320 1HB SER 9 2HB SER 9 -1.462 -18.769 -18.328 321 2HB SER 9 1HB SER 9 -0.996 -17.494 -17.206 322 HG SER 9 HG SER 9 0.652 -18.982 -18.379 323 H TYR 10 H TYR 10 -0.490 -17.216 -15.377 324 HA TYR 10 HA TYR 10 -2.636 -15.800 -14.146 325 1HB TYR 10 2HB TYR 10 -2.893 -17.663 -12.676 326 2HB TYR 10 1HB TYR 10 -1.150 -17.832 -12.468 327 HD1 TYR 10 HD1 TYR 10 -0.956 -17.561 -10.102 328 HD2 TYR 10 HD2 TYR 10 -3.076 -14.652 -12.445 329 HE1 TYR 10 HE1 TYR 10 -1.041 -16.044 -8.142 330 HE2 TYR 10 HE2 TYR 10 -3.162 -13.135 -10.485 331 HH TYR 10 HH TYR 10 -2.691 -14.067 -7.420 332 H ASP 11 H ASP 11 -1.473 -13.948 -14.805 333 HA ASP 11 HA ASP 11 0.628 -13.017 -13.048 334 1HB ASP 11 2HB ASP 11 1.278 -14.594 -15.355 335 2HB ASP 11 1HB ASP 11 1.874 -12.955 -15.609 336 H LEU 12 H LEU 12 1.791 -11.196 -14.976 337 HA LEU 12 HA LEU 12 1.350 -9.067 -15.902 338 1HB LEU 12 2HB LEU 12 -1.219 -10.520 -16.620 339 2HB LEU 12 1HB LEU 12 -0.634 -9.042 -17.382 340 HG LEU 12 HG LEU 12 0.854 -11.684 -17.346 341 1HD1 LEU 12 1HD1 LEU 12 0.127 -10.724 -19.958 342 2HD1 LEU 12 2HD1 LEU 12 -1.320 -10.814 -18.954 343 3HD1 LEU 12 3HD1 LEU 12 -0.316 -12.245 -19.185 344 1HD2 LEU 12 1HD2 LEU 12 1.745 -9.027 -17.755 345 2HD2 LEU 12 2HD2 LEU 12 1.671 -9.773 -19.351 346 3HD2 LEU 12 3HD2 LEU 12 2.637 -10.514 -18.075 347 H GLY 13 H GLY 13 0.089 -7.109 -15.485 348 1HA GLY 13 2HA GLY 13 -1.574 -7.339 -13.012 349 2HA GLY 13 1HA GLY 13 -0.641 -5.907 -13.453 350 H LYS 14 H LYS 14 -1.301 -5.177 -15.866 351 HA LYS 14 HA LYS 14 -4.078 -5.562 -16.600 352 1HB LYS 14 2HB LYS 14 -4.314 -4.271 -14.510 353 2HB LYS 14 1HB LYS 14 -3.263 -3.016 -15.168 354 1HG LYS 14 2HG LYS 14 -4.914 -2.141 -16.460 355 2HG LYS 14 1HG LYS 14 -5.519 -3.732 -16.921 356 1HD LYS 14 2HD LYS 14 -5.942 -3.039 -14.084 357 2HD LYS 14 1HD LYS 14 -6.826 -2.027 -15.227 358 1HE LYS 14 2HE LYS 14 -8.359 -3.731 -15.190 359 2HE LYS 14 1HE LYS 14 -7.221 -4.546 -16.282 360 1HZ LYS 14 1HZ LYS 14 -6.036 -5.359 -14.291 361 2HZ LYS 14 2HZ LYS 14 -7.621 -5.961 -14.401 362 3HZ LYS 14 3HZ LYS 14 -7.259 -4.706 -13.315 363 H LYS 15 H LYS 15 -3.071 -2.302 -16.897 364 HA LYS 15 HA LYS 15 -1.779 -2.817 -19.539 365 1HB LYS 15 2HB LYS 15 -3.310 -0.967 -20.407 366 2HB LYS 15 1HB LYS 15 -4.113 -2.488 -20.019 367 1HG LYS 15 2HG LYS 15 -5.266 -1.581 -18.281 368 2HG LYS 15 1HG LYS 15 -3.889 -0.611 -17.752 369 1HD LYS 15 2HD LYS 15 -4.302 1.000 -19.557 370 2HD LYS 15 1HD LYS 15 -5.647 0.020 -20.142 371 1HE LYS 15 2HE LYS 15 -5.710 0.829 -17.264 372 2HE LYS 15 1HE LYS 15 -6.066 2.075 -18.477 373 1HZ LYS 15 1HZ LYS 15 -7.244 -0.564 -18.887 374 2HZ LYS 15 2HZ LYS 15 -7.883 0.973 -19.228 375 3HZ LYS 15 3HZ LYS 15 -7.903 0.374 -17.638 376 HA PRO 16 HA PRO 16 0.869 0.321 -17.865 377 1HB PRO 16 2HB PRO 16 2.404 0.689 -20.099 378 2HB PRO 16 1HB PRO 16 2.582 -0.713 -19.024 379 1HG PRO 16 2HG PRO 16 1.194 -0.503 -21.648 380 2HG PRO 16 1HG PRO 16 2.166 -1.827 -20.986 381 1HD PRO 16 2HD PRO 16 -0.565 -1.833 -21.036 382 2HD PRO 16 1HD PRO 16 0.402 -2.720 -19.836 383 H ILE 17 H ILE 17 1.175 2.618 -18.136 384 HA ILE 17 HA ILE 17 -0.488 3.898 -20.270 385 HB ILE 17 HB ILE 17 -0.290 4.911 -17.447 386 1HG1 ILE 17 2HG1 ILE 17 -2.441 3.043 -18.482 387 2HG1 ILE 17 1HG1 ILE 17 -1.107 2.516 -17.455 388 1HG2 ILE 17 1HG2 ILE 17 -2.786 5.480 -18.395 389 2HG2 ILE 17 2HG2 ILE 17 -1.844 5.501 -19.886 390 3HG2 ILE 17 3HG2 ILE 17 -1.403 6.563 -18.547 391 1HD1 ILE 17 1HD1 ILE 17 -2.897 2.956 -15.953 392 2HD1 ILE 17 2HD1 ILE 17 -3.323 4.454 -16.780 393 3HD1 ILE 17 3HD1 ILE 17 -1.840 4.363 -15.829 394 H TYR 18 H TYR 18 0.058 6.508 -19.865 395 HA TYR 18 HA TYR 18 2.821 7.068 -19.163 396 1HB TYR 18 2HB TYR 18 2.363 5.838 -21.625 397 2HB TYR 18 1HB TYR 18 2.529 7.546 -22.033 398 HD1 TYR 18 HD1 TYR 18 4.695 7.652 -22.993 399 HD2 TYR 18 HD2 TYR 18 4.122 5.701 -19.207 400 HE1 TYR 18 HE1 TYR 18 7.153 7.484 -22.706 401 HE2 TYR 18 HE2 TYR 18 6.579 5.533 -18.922 402 HH TYR 18 HH TYR 18 8.581 6.383 -19.695 403 H LYS 19 H LYS 19 1.020 8.546 -18.108 404 HA LYS 19 HA LYS 19 0.857 11.030 -19.766 405 1HB LYS 19 2HB LYS 19 -1.295 9.378 -18.514 406 2HB LYS 19 1HB LYS 19 -1.494 11.131 -18.472 407 1HG LYS 19 2HG LYS 19 -0.590 10.164 -21.083 408 2HG LYS 19 1HG LYS 19 -2.149 9.487 -20.610 409 1HD LYS 19 2HD LYS 19 -3.058 11.430 -21.317 410 2HD LYS 19 1HD LYS 19 -2.351 12.163 -19.877 411 1HE LYS 19 2HE LYS 19 -0.852 13.327 -21.120 412 2HE LYS 19 1HE LYS 19 -0.382 11.871 -22.021 413 1HZ LYS 19 1HZ LYS 19 -2.034 12.162 -23.555 414 2HZ LYS 19 2HZ LYS 19 -1.688 13.789 -23.203 415 3HZ LYS 19 3HZ LYS 19 -3.034 13.031 -22.495 416 H LYS 20 H LYS 20 -0.454 12.614 -17.888 417 HA LYS 20 HA LYS 20 0.312 12.444 -15.189 418 1HB LYS 20 2HB LYS 20 2.499 12.799 -17.013 419 2HB LYS 20 1HB LYS 20 2.348 14.257 -16.033 420 1HG LYS 20 2HG LYS 20 2.204 12.723 -14.001 421 2HG LYS 20 1HG LYS 20 2.700 11.411 -15.071 422 1HD LYS 20 2HD LYS 20 4.849 12.055 -14.922 423 2HD LYS 20 1HD LYS 20 4.428 13.672 -15.489 424 1HE LYS 20 2HE LYS 20 3.596 13.232 -12.715 425 2HE LYS 20 1HE LYS 20 5.349 13.067 -12.937 426 1HZ LYS 20 1HZ LYS 20 3.614 15.367 -13.540 427 2HZ LYS 20 2HZ LYS 20 5.033 15.133 -14.446 428 3HZ LYS 20 3HZ LYS 20 5.121 15.339 -12.762 429 H ALA 21 H ALA 21 0.895 14.972 -14.431 430 HA ALA 21 HA ALA 21 -1.506 16.460 -15.036 431 1HB ALA 21 1HB ALA 21 0.193 16.360 -12.985 432 2HB ALA 21 2HB ALA 21 -0.739 17.819 -13.317 433 3HB ALA 21 3HB ALA 21 0.941 17.708 -13.843 434 HA PRO 22 HA PRO 22 0.329 18.191 -18.765 435 1HB PRO 22 2HB PRO 22 -1.996 19.302 -19.684 436 2HB PRO 22 1HB PRO 22 -1.603 17.583 -19.883 437 1HG PRO 22 2HG PRO 22 -3.398 18.897 -17.909 438 2HG PRO 22 1HG PRO 22 -3.587 17.354 -18.756 439 1HD PRO 22 2HD PRO 22 -2.764 17.568 -16.159 440 2HD PRO 22 1HD PRO 22 -2.336 16.211 -17.224 441 H THR 23 H THR 23 1.587 19.906 -17.974 442 HA THR 23 HA THR 23 0.982 22.011 -16.308 443 HB THR 23 HB THR 23 2.586 21.949 -18.879 444 HG1 THR 23 HG1 THR 23 3.003 21.322 -16.197 445 1HG2 THR 23 1HG2 THR 23 2.350 24.055 -16.734 446 2HG2 THR 23 2HG2 THR 23 2.270 24.257 -18.484 447 3HG2 THR 23 3HG2 THR 23 3.811 23.896 -17.707 448 H ASN 24 H ASN 24 0.425 24.317 -16.828 449 HA ASN 24 HA ASN 24 -1.751 24.430 -18.879 450 1HB ASN 24 2HB ASN 24 -1.855 24.914 -16.244 451 2HB ASN 24 1HB ASN 24 -1.334 26.513 -16.776 452 1HD2 ASN 24 1HD2 ASN 24 -3.543 24.158 -18.377 453 2HD2 ASN 24 2HD2 ASN 24 -4.861 25.224 -18.458 454 H GLU 25 H GLU 25 -1.991 26.684 -19.890 455 HA GLU 25 HA GLU 25 0.724 27.792 -20.529 456 1HB GLU 25 2HB GLU 25 -1.235 26.617 -22.135 457 2HB GLU 25 1HB GLU 25 -1.439 28.347 -22.413 458 1HG GLU 25 2HG GLU 25 1.374 27.566 -22.351 459 2HG GLU 25 1HG GLU 25 0.475 26.722 -23.612 460 H PHE 26 H PHE 26 -0.564 30.000 -22.013 461 HA PHE 26 HA PHE 26 -1.055 31.790 -19.711 462 1HB PHE 26 2HB PHE 26 0.487 32.320 -21.609 463 2HB PHE 26 1HB PHE 26 -0.900 32.312 -22.699 464 HD1 PHE 26 HD1 PHE 26 0.540 33.979 -19.694 465 HD2 PHE 26 HD2 PHE 26 -2.352 34.188 -22.863 466 HE1 PHE 26 HE1 PHE 26 0.050 36.333 -19.091 467 HE2 PHE 26 HE2 PHE 26 -2.842 36.543 -22.260 468 HZ PHE 26 HZ PHE 26 -1.642 37.616 -20.374 469 H TYR 27 H TYR 27 -2.872 33.504 -20.156 470 HA TYR 27 HA TYR 27 -5.378 32.005 -20.680 471 1HB TYR 27 2HB TYR 27 -4.469 34.005 -18.897 472 2HB TYR 27 1HB TYR 27 -5.681 34.779 -19.919 473 HD1 TYR 27 HD1 TYR 27 -5.221 32.879 -17.002 474 HD2 TYR 27 HD2 TYR 27 -7.830 33.241 -20.396 475 HE1 TYR 27 HE1 TYR 27 -7.021 31.732 -15.740 476 HE2 TYR 27 HE2 TYR 27 -9.630 32.093 -19.133 477 HH TYR 27 HH TYR 27 -10.008 30.748 -17.286 478 H ALA 28 HN ALA 28 -4.623 35.425 -21.336 479 HA ALA 28 HA ALA 28 -4.671 35.255 -24.200 480 1HB ALA 28 1HB ALA 28 -7.162 36.441 -23.948 481 2HB ALA 28 2HB ALA 28 -7.211 35.170 -22.727 482 3HB ALA 28 3HB ALA 28 -6.881 34.763 -24.411 Start of MODEL 10 1 1H ARG 1 1HT ARG 1 -14.679 -22.369 7.873 2 2H ARG 1 2HT ARG 1 -15.389 -22.137 6.346 3 3H ARG 1 3HT ARG 1 -15.542 -20.946 7.547 4 HA ARG 1 HA ARG 1 -13.867 -20.378 5.816 5 1HB ARG 1 2HB ARG 1 -13.930 -19.475 8.125 6 2HB ARG 1 1HB ARG 1 -12.945 -20.832 8.673 7 1HG ARG 1 2HG ARG 1 -11.225 -20.102 6.922 8 2HG ARG 1 1HG ARG 1 -12.156 -18.610 6.782 9 1HD ARG 1 2HD ARG 1 -10.767 -19.685 9.257 10 2HD ARG 1 1HD ARG 1 -10.458 -18.152 8.417 11 HE ARG 1 HE ARG 1 -13.018 -18.764 9.849 12 1HH1 ARG 1 1HH1 ARG 1 -12.220 -16.513 7.685 13 2HH1 ARG 1 2HH1 ARG 1 -12.236 -15.142 8.743 14 1HH2 ARG 1 1HH2 ARG 1 -12.348 -17.045 11.639 15 2HH2 ARG 1 2HH2 ARG 1 -12.308 -15.443 10.982 16 H MET 2 H MET 2 -13.038 -21.909 4.348 17 HA MET 2 HA MET 2 -10.624 -23.366 5.219 18 1HB MET 2 2HB MET 2 -13.285 -24.575 4.724 19 2HB MET 2 1HB MET 2 -11.930 -25.400 3.953 20 1HG MET 2 2HG MET 2 -10.901 -24.929 6.439 21 2HG MET 2 1HG MET 2 -12.607 -25.166 6.819 22 1HE MET 2 1HE MET 2 -12.483 -28.614 7.581 23 2HE MET 2 2HE MET 2 -12.786 -26.925 7.977 24 3HE MET 2 3HE MET 2 -11.174 -27.599 8.201 25 H LYS 3 H LYS 3 -9.502 -22.120 3.632 26 HA LYS 3 HA LYS 3 -10.250 -21.516 1.007 27 1HB LYS 3 2HB LYS 3 -8.123 -21.030 2.482 28 2HB LYS 3 1HB LYS 3 -7.470 -22.453 1.670 29 1HG LYS 3 2HG LYS 3 -8.527 -21.103 -0.451 30 2HG LYS 3 1HG LYS 3 -8.038 -19.762 0.586 31 1HD LYS 3 2HD LYS 3 -6.217 -22.074 -0.134 32 2HD LYS 3 1HD LYS 3 -6.240 -20.540 -1.003 33 1HE LYS 3 2HE LYS 3 -5.396 -19.337 0.841 34 2HE LYS 3 1HE LYS 3 -5.874 -20.598 1.995 35 1HZ LYS 3 1HZ LYS 3 -3.435 -20.528 1.269 36 2HZ LYS 3 2HZ LYS 3 -3.984 -21.168 -0.206 37 3HZ LYS 3 3HZ LYS 3 -4.222 -22.030 1.239 38 H LYS 4 H LYS 4 -10.402 -22.691 -0.897 39 HA LYS 4 HA LYS 4 -9.093 -25.257 -1.291 40 1HB LYS 4 2HB LYS 4 -11.724 -25.069 -0.024 41 2HB LYS 4 1HB LYS 4 -11.750 -26.079 -1.471 42 1HG LYS 4 2HG LYS 4 -10.433 -27.686 -0.531 43 2HG LYS 4 1HG LYS 4 -9.433 -26.508 0.320 44 1HD LYS 4 2HD LYS 4 -10.843 -26.427 2.153 45 2HD LYS 4 1HD LYS 4 -12.269 -26.853 1.207 46 1HE LYS 4 2HE LYS 4 -10.503 -29.065 1.005 47 2HE LYS 4 1HE LYS 4 -10.553 -28.605 2.719 48 1HZ LYS 4 1HZ LYS 4 -12.477 -29.789 2.616 49 2HZ LYS 4 2HZ LYS 4 -12.727 -29.473 0.967 50 3HZ LYS 4 3HZ LYS 4 -13.089 -28.286 2.126 51 H LYS 5 H LYS 5 -8.843 -25.436 -3.487 52 HA LYS 5 HA LYS 5 -9.221 -25.118 -5.799 53 1HB LYS 5 2HB LYS 5 -12.069 -24.592 -4.907 54 2HB LYS 5 1HB LYS 5 -11.533 -25.261 -6.449 55 1HG LYS 5 2HG LYS 5 -10.402 -27.054 -4.783 56 2HG LYS 5 1HG LYS 5 -11.787 -26.583 -3.797 57 1HD LYS 5 2HD LYS 5 -13.174 -26.928 -5.963 58 2HD LYS 5 1HD LYS 5 -11.771 -27.826 -6.543 59 1HE LYS 5 2HE LYS 5 -12.299 -28.715 -3.881 60 2HE LYS 5 1HE LYS 5 -13.831 -28.747 -4.777 61 1HZ LYS 5 1HZ LYS 5 -12.908 -30.045 -6.462 62 2HZ LYS 5 2HZ LYS 5 -12.285 -30.743 -5.044 63 3HZ LYS 5 3HZ LYS 5 -11.314 -29.716 -5.988 64 H ASP 6 H ASP 6 -9.362 -23.359 -7.298 65 HA ASP 6 HA ASP 6 -10.575 -20.827 -6.785 66 1HB ASP 6 2HB ASP 6 -8.366 -19.637 -6.208 67 2HB ASP 6 1HB ASP 6 -9.090 -20.612 -4.929 68 H GLU 7 H GLU 7 -10.514 -19.679 -8.704 69 HA GLU 7 HA GLU 7 -8.505 -20.552 -10.756 70 1HB GLU 7 2HB GLU 7 -11.206 -20.811 -10.807 71 2HB GLU 7 1HB GLU 7 -11.041 -19.214 -11.538 72 1HG GLU 7 2HG GLU 7 -10.824 -20.536 -13.426 73 2HG GLU 7 1HG GLU 7 -9.134 -20.429 -12.934 74 H GLY 8 H GLY 8 -7.250 -18.943 -11.670 75 1HA GLY 8 2HA GLY 8 -8.070 -16.175 -11.808 76 2HA GLY 8 1HA GLY 8 -6.905 -16.423 -10.507 77 H SER 9 H SER 9 -7.370 -16.610 -13.997 78 HA SER 9 HA SER 9 -4.600 -15.945 -14.490 79 1HB SER 9 2HB SER 9 -4.955 -18.500 -15.769 80 2HB SER 9 1HB SER 9 -3.727 -18.024 -14.600 81 HG SER 9 HG SER 9 -4.793 -19.487 -13.468 82 H TYR 10 H TYR 10 -6.231 -14.388 -15.583 83 HA TYR 10 HA TYR 10 -7.281 -15.478 -18.158 84 1HB TYR 10 2HB TYR 10 -7.713 -12.773 -16.856 85 2HB TYR 10 1HB TYR 10 -8.691 -13.517 -18.122 86 HD1 TYR 10 HD1 TYR 10 -8.078 -13.280 -14.557 87 HD2 TYR 10 HD2 TYR 10 -9.991 -15.623 -17.607 88 HE1 TYR 10 HE1 TYR 10 -9.475 -14.383 -12.832 89 HE2 TYR 10 HE2 TYR 10 -11.390 -16.726 -15.881 90 HH TYR 10 HH TYR 10 -10.717 -16.585 -12.605 91 H ASP 11 H ASP 11 -7.276 -12.733 -19.296 92 HA ASP 11 HA ASP 11 -4.731 -12.810 -20.630 93 1HB ASP 11 2HB ASP 11 -7.098 -10.955 -20.485 94 2HB ASP 11 1HB ASP 11 -5.664 -10.491 -21.400 95 H LEU 12 H LEU 12 -3.578 -10.448 -20.749 96 HA LEU 12 HA LEU 12 -3.427 -8.800 -18.449 97 1HB LEU 12 2HB LEU 12 -1.259 -9.865 -17.533 98 2HB LEU 12 1HB LEU 12 -2.767 -10.710 -17.189 99 HG LEU 12 HG LEU 12 -2.358 -12.129 -19.223 100 1HD1 LEU 12 1HD1 LEU 12 -0.898 -10.847 -20.562 101 2HD1 LEU 12 2HD1 LEU 12 0.144 -12.114 -19.914 102 3HD1 LEU 12 3HD1 LEU 12 0.178 -10.498 -19.210 103 1HD2 LEU 12 1HD2 LEU 12 -0.577 -13.494 -18.159 104 2HD2 LEU 12 2HD2 LEU 12 -1.765 -12.941 -16.978 105 3HD2 LEU 12 3HD2 LEU 12 -0.197 -12.142 -17.091 106 H GLY 13 H GLY 13 -1.031 -7.795 -18.346 107 1HA GLY 13 2HA GLY 13 0.308 -7.835 -20.977 108 2HA GLY 13 1HA GLY 13 -0.421 -6.299 -20.503 109 H LYS 14 H LYS 14 0.324 -5.368 -18.410 110 HA LYS 14 HA LYS 14 2.848 -6.395 -17.321 111 1HB LYS 14 2HB LYS 14 2.563 -4.074 -19.173 112 2HB LYS 14 1HB LYS 14 3.718 -3.916 -17.848 113 1HG LYS 14 2HG LYS 14 3.665 -6.107 -19.945 114 2HG LYS 14 1HG LYS 14 4.870 -4.829 -19.788 115 1HD LYS 14 2HD LYS 14 5.008 -5.858 -17.299 116 2HD LYS 14 1HD LYS 14 4.517 -7.305 -18.179 117 1HE LYS 14 2HE LYS 14 6.975 -7.163 -18.124 118 2HE LYS 14 1HE LYS 14 6.409 -6.905 -19.787 119 1HZ LYS 14 1HZ LYS 14 6.883 -4.711 -19.716 120 2HZ LYS 14 2HZ LYS 14 8.009 -5.193 -18.539 121 3HZ LYS 14 3HZ LYS 14 6.505 -4.558 -18.070 122 H LYS 15 H LYS 15 2.252 -2.999 -17.136 123 HA LYS 15 HA LYS 15 0.567 -3.159 -14.729 124 1HB LYS 15 2HB LYS 15 3.524 -2.520 -14.709 125 2HB LYS 15 1HB LYS 15 2.451 -2.012 -13.405 126 1HG LYS 15 2HG LYS 15 1.711 -4.459 -13.257 127 2HG LYS 15 1HG LYS 15 3.091 -4.831 -14.293 128 1HD LYS 15 2HD LYS 15 4.116 -3.136 -12.303 129 2HD LYS 15 1HD LYS 15 3.047 -4.248 -11.450 130 1HE LYS 15 2HE LYS 15 4.346 -6.089 -11.942 131 2HE LYS 15 1HE LYS 15 4.865 -5.431 -13.506 132 1HZ LYS 15 1HZ LYS 15 5.715 -4.455 -10.830 133 2HZ LYS 15 2HZ LYS 15 6.160 -3.754 -12.312 134 3HZ LYS 15 3HZ LYS 15 6.678 -5.324 -11.921 135 HA PRO 16 HA PRO 16 -0.462 0.854 -16.233 136 1HB PRO 16 2HB PRO 16 -1.605 1.875 -13.966 137 2HB PRO 16 1HB PRO 16 -2.404 0.668 -14.994 138 1HG PRO 16 2HG PRO 16 -0.933 0.291 -12.430 139 2HG PRO 16 1HG PRO 16 -2.427 -0.473 -12.996 140 1HD PRO 16 2HD PRO 16 -0.017 -1.716 -13.069 141 2HD PRO 16 1HD PRO 16 -1.310 -2.044 -14.244 142 H ILE 17 H ILE 17 1.281 2.161 -16.574 143 HA ILE 17 HA ILE 17 2.817 3.173 -14.226 144 HB ILE 17 HB ILE 17 4.384 3.835 -16.236 145 1HG1 ILE 17 2HG1 ILE 17 3.075 1.481 -17.553 146 2HG1 ILE 17 1HG1 ILE 17 2.395 3.085 -17.811 147 1HG2 ILE 17 1HG2 ILE 17 5.172 2.212 -14.726 148 2HG2 ILE 17 2HG2 ILE 17 5.184 1.366 -16.274 149 3HG2 ILE 17 3HG2 ILE 17 3.877 1.084 -15.125 150 1HD1 ILE 17 1HD1 ILE 17 5.336 2.901 -18.076 151 2HD1 ILE 17 2HD1 ILE 17 4.168 3.782 -19.062 152 3HD1 ILE 17 3HD1 ILE 17 4.408 2.053 -19.313 153 H TYR 18 H TYR 18 3.408 5.499 -14.280 154 HA TYR 18 HA TYR 18 1.438 7.143 -15.838 155 1HB TYR 18 2HB TYR 18 1.571 6.704 -13.102 156 2HB TYR 18 1HB TYR 18 2.401 8.248 -13.297 157 HD1 TYR 18 HD1 TYR 18 -0.358 6.833 -15.375 158 HD2 TYR 18 HD2 TYR 18 0.812 9.823 -12.521 159 HE1 TYR 18 HE1 TYR 18 -2.541 7.972 -15.672 160 HE2 TYR 18 HE2 TYR 18 -1.371 10.962 -12.818 161 HH TYR 18 HH TYR 18 -3.824 9.671 -15.069 162 H LYS 19 H LYS 19 2.876 7.857 -17.452 163 HA LYS 19 HA LYS 19 5.043 9.678 -16.513 164 1HB LYS 19 2HB LYS 19 5.344 7.074 -17.674 165 2HB LYS 19 1HB LYS 19 5.930 8.267 -18.834 166 1HG LYS 19 2HG LYS 19 7.806 7.753 -17.455 167 2HG LYS 19 1HG LYS 19 7.217 9.314 -16.883 168 1HD LYS 19 2HD LYS 19 5.783 7.262 -15.499 169 2HD LYS 19 1HD LYS 19 7.506 6.897 -15.395 170 1HE LYS 19 2HE LYS 19 6.928 9.750 -14.994 171 2HE LYS 19 1HE LYS 19 6.186 8.703 -13.768 172 1HZ LYS 19 1HZ LYS 19 8.485 9.241 -13.191 173 2HZ LYS 19 2HZ LYS 19 9.020 8.572 -14.658 174 3HZ LYS 19 3HZ LYS 19 8.301 7.580 -13.481 175 H LYS 20 H LYS 20 5.131 11.540 -17.759 176 HA LYS 20 HA LYS 20 4.528 11.776 -20.514 177 1HB LYS 20 2HB LYS 20 2.277 11.273 -18.872 178 2HB LYS 20 1HB LYS 20 2.173 12.969 -19.344 179 1HG LYS 20 2HG LYS 20 2.954 11.138 -21.523 180 2HG LYS 20 1HG LYS 20 1.322 10.887 -20.904 181 1HD LYS 20 2HD LYS 20 0.569 12.842 -21.772 182 2HD LYS 20 1HD LYS 20 2.013 13.721 -21.267 183 1HE LYS 20 2HE LYS 20 3.259 12.889 -23.192 184 2HE LYS 20 1HE LYS 20 1.892 11.860 -23.669 185 1HZ LYS 20 1HZ LYS 20 1.675 14.798 -23.305 186 2HZ LYS 20 2HZ LYS 20 0.524 13.752 -23.989 187 3HZ LYS 20 3HZ LYS 20 1.978 14.074 -24.808 188 H ALA 21 H ALA 21 5.060 13.864 -21.174 189 HA ALA 21 HA ALA 21 5.516 15.874 -18.995 190 1HB ALA 21 1HB ALA 21 6.839 16.413 -21.514 191 2HB ALA 21 2HB ALA 21 7.157 14.754 -21.005 192 3HB ALA 21 3HB ALA 21 7.560 16.097 -19.935 193 HA PRO 22 HA PRO 22 2.919 18.797 -20.990 194 1HB PRO 22 2HB PRO 22 4.445 21.052 -21.268 195 2HB PRO 22 1HB PRO 22 3.848 20.478 -19.698 196 1HG PRO 22 2HG PRO 22 6.547 20.197 -20.915 197 2HG PRO 22 1HG PRO 22 6.093 20.491 -19.229 198 1HD PRO 22 2HD PRO 22 6.863 18.050 -20.194 199 2HD PRO 22 1HD PRO 22 5.798 18.267 -18.787 200 H THR 23 H THR 23 3.532 17.136 -22.958 201 HA THR 23 HA THR 23 5.122 17.714 -25.128 202 HB THR 23 HB THR 23 2.220 17.102 -25.586 203 HG1 THR 23 HG1 THR 23 4.076 15.440 -24.231 204 1HG2 THR 23 1HG2 THR 23 3.268 15.293 -26.970 205 2HG2 THR 23 2HG2 THR 23 4.851 15.925 -26.519 206 3HG2 THR 23 3HG2 THR 23 3.743 16.918 -27.465 207 H ASN 24 H ASN 24 2.328 19.547 -24.045 208 HA ASN 24 HA ASN 24 1.570 21.018 -26.284 209 1HB ASN 24 2HB ASN 24 2.085 22.111 -23.500 210 2HB ASN 24 1HB ASN 24 0.902 22.708 -24.666 211 1HD2 ASN 24 1HD2 ASN 24 0.132 19.943 -25.530 212 2HD2 ASN 24 2HD2 ASN 24 -0.798 19.309 -24.259 213 H GLU 25 H GLU 25 2.607 22.472 -27.607 214 HA GLU 25 HA GLU 25 4.798 24.157 -26.643 215 1HB GLU 25 2HB GLU 25 5.348 21.544 -27.521 216 2HB GLU 25 1HB GLU 25 5.799 22.584 -28.873 217 1HG GLU 25 2HG GLU 25 6.721 23.884 -26.536 218 2HG GLU 25 1HG GLU 25 7.176 22.187 -26.371 219 H PHE 26 H PHE 26 2.148 24.190 -28.203 220 HA PHE 26 HA PHE 26 1.257 25.277 -30.111 221 1HB PHE 26 2HB PHE 26 3.481 26.786 -28.921 222 2HB PHE 26 1HB PHE 26 3.148 27.241 -30.593 223 HD1 PHE 26 HD1 PHE 26 1.997 29.295 -30.444 224 HD2 PHE 26 HD2 PHE 26 0.800 25.999 -27.963 225 HE1 PHE 26 HE1 PHE 26 0.009 30.578 -29.701 226 HE2 PHE 26 HE2 PHE 26 -1.189 27.281 -27.220 227 HZ PHE 26 HZ PHE 26 -1.585 29.571 -28.089 228 H TYR 27 H TYR 27 2.150 23.071 -31.165 229 HA TYR 27 HA TYR 27 3.966 23.874 -33.417 230 1HB TYR 27 2HB TYR 27 4.492 22.094 -31.376 231 2HB TYR 27 1HB TYR 27 3.887 21.030 -32.647 232 HD1 TYR 27 HD1 TYR 27 4.761 22.495 -35.078 233 HD2 TYR 27 HD2 TYR 27 6.830 21.726 -31.394 234 HE1 TYR 27 HE1 TYR 27 6.934 22.671 -36.261 235 HE2 TYR 27 HE2 TYR 27 9.002 21.901 -32.576 236 HH TYR 27 HH TYR 27 9.731 21.528 -35.145 237 H ALA 28 HN ALA 28 0.857 23.130 -32.676 238 HA ALA 28 HA ALA 28 0.121 22.500 -35.401 239 1HB ALA 28 1HB ALA 28 0.583 20.334 -33.395 240 2HB ALA 28 2HB ALA 28 0.829 20.313 -35.142 241 3HB ALA 28 3HB ALA 28 -0.797 20.154 -34.478 242 1H ARG 1 1HT ARG 1 3.488 -29.406 -38.806 243 2H ARG 1 2HT ARG 1 4.270 -29.313 -37.299 244 3H ARG 1 3HT ARG 1 4.882 -28.454 -38.631 245 HA ARG 1 HA ARG 1 3.652 -27.025 -37.028 246 1HB ARG 1 2HB ARG 1 4.029 -26.521 -39.427 247 2HB ARG 1 1HB ARG 1 2.548 -27.388 -39.834 248 1HG ARG 1 2HG ARG 1 1.347 -25.792 -38.230 249 2HG ARG 1 1HG ARG 1 2.826 -24.830 -38.247 250 1HD ARG 1 2HD ARG 1 1.045 -25.507 -40.611 251 2HD ARG 1 1HD ARG 1 1.438 -23.897 -39.971 252 HE ARG 1 HE ARG 1 3.458 -25.705 -41.248 253 1HH1 ARG 1 1HH1 ARG 1 3.748 -23.084 -39.394 254 2HH1 ARG 1 2HH1 ARG 1 4.314 -21.989 -40.611 255 1HH2 ARG 1 1HH2 ARG 1 3.532 -24.095 -43.251 256 2HH2 ARG 1 2HH2 ARG 1 4.192 -22.561 -42.793 257 H MET 2 H MET 2 2.293 -27.871 -35.409 258 HA MET 2 HA MET 2 -0.534 -28.261 -36.163 259 1HB MET 2 2HB MET 2 1.376 -30.414 -35.452 260 2HB MET 2 1HB MET 2 -0.179 -30.487 -34.623 261 1HG MET 2 2HG MET 2 -0.979 -29.928 -37.175 262 2HG MET 2 1HG MET 2 0.454 -30.911 -37.479 263 1HE MET 2 1HE MET 2 -1.139 -34.045 -37.819 264 2HE MET 2 2HE MET 2 -0.160 -32.706 -38.408 265 3HE MET 2 3HE MET 2 -1.911 -32.654 -38.593 266 H LYS 3 H LYS 3 -0.979 -26.475 -34.768 267 HA LYS 3 HA LYS 3 0.025 -25.930 -32.216 268 1HB LYS 3 2HB LYS 3 -1.734 -24.773 -33.796 269 2HB LYS 3 1HB LYS 3 -2.907 -25.675 -32.836 270 1HG LYS 3 2HG LYS 3 -1.321 -24.654 -30.867 271 2HG LYS 3 1HG LYS 3 -1.223 -23.368 -32.071 272 1HD LYS 3 2HD LYS 3 -3.832 -24.586 -31.125 273 2HD LYS 3 1HD LYS 3 -3.138 -23.112 -30.448 274 1HE LYS 3 2HE LYS 3 -3.441 -21.899 -32.447 275 2HE LYS 3 1HE LYS 3 -3.575 -23.373 -33.427 276 1HZ LYS 3 1HZ LYS 3 -5.733 -22.189 -32.782 277 2HZ LYS 3 2HZ LYS 3 -5.467 -22.817 -31.225 278 3HZ LYS 3 3HZ LYS 3 -5.657 -23.867 -32.548 279 H LYS 4 H LYS 4 -0.283 -26.820 -30.181 280 HA LYS 4 HA LYS 4 -2.546 -28.521 -29.514 281 1HB LYS 4 2HB LYS 4 -0.119 -29.620 -30.722 282 2HB LYS 4 1HB LYS 4 -0.483 -30.363 -29.165 283 1HG LYS 4 2HG LYS 4 -2.383 -31.361 -29.937 284 2HG LYS 4 1HG LYS 4 -2.811 -29.983 -30.952 285 1HD LYS 4 2HD LYS 4 -1.550 -30.730 -32.743 286 2HD LYS 4 1HD LYS 4 -0.413 -31.602 -31.713 287 1HE LYS 4 2HE LYS 4 -2.945 -32.814 -31.294 288 2HE LYS 4 1HE LYS 4 -2.751 -32.630 -33.049 289 1HZ LYS 4 1HZ LYS 4 -1.508 -34.497 -32.751 290 2HZ LYS 4 2HZ LYS 4 -1.103 -34.119 -31.144 291 3HZ LYS 4 3HZ LYS 4 -0.303 -33.347 -32.429 292 H LYS 5 H LYS 5 -2.788 -28.309 -27.320 293 HA LYS 5 HA LYS 5 -2.249 -27.904 -25.054 294 1HB LYS 5 2HB LYS 5 0.529 -28.747 -25.925 295 2HB LYS 5 1HB LYS 5 -0.199 -28.933 -24.329 296 1HG LYS 5 2HG LYS 5 -2.028 -30.265 -25.796 297 2HG LYS 5 1HG LYS 5 -0.600 -30.549 -26.793 298 1HD LYS 5 2HD LYS 5 0.568 -31.185 -24.564 299 2HD LYS 5 1HD LYS 5 -1.067 -31.326 -23.919 300 1HE LYS 5 2HE LYS 5 -1.039 -32.669 -26.439 301 2HE LYS 5 1HE LYS 5 0.360 -33.238 -25.504 302 1HZ LYS 5 1HZ LYS 5 -0.980 -33.808 -23.700 303 2HZ LYS 5 2HZ LYS 5 -1.879 -34.342 -25.039 304 3HZ LYS 5 3HZ LYS 5 -2.298 -32.895 -24.253 305 H ASP 6 H ASP 6 -1.335 -26.203 -23.777 306 HA ASP 6 HA ASP 6 0.822 -24.507 -24.559 307 1HB ASP 6 2HB ASP 6 -0.689 -22.572 -25.335 308 2HB ASP 6 1HB ASP 6 -0.482 -23.909 -26.468 309 H GLU 7 H GLU 7 1.305 -23.218 -22.795 310 HA GLU 7 HA GLU 7 -0.828 -22.902 -20.709 311 1HB GLU 7 2HB GLU 7 1.509 -24.273 -20.553 312 2HB GLU 7 1HB GLU 7 2.056 -22.680 -20.026 313 1HG GLU 7 2HG GLU 7 1.351 -23.546 -17.998 314 2HG GLU 7 1HG GLU 7 -0.148 -22.794 -18.545 315 H GLY 8 H GLY 8 -1.258 -20.814 -20.030 316 1HA GLY 8 2HA GLY 8 0.662 -18.662 -20.207 317 2HA GLY 8 1HA GLY 8 -0.534 -18.548 -21.499 318 H SER 9 H SER 9 -0.097 -18.490 -18.001 319 HA SER 9 HA SER 9 -2.310 -16.659 -17.667 320 1HB SER 9 2HB SER 9 -3.038 -18.948 -16.078 321 2HB SER 9 1HB SER 9 -3.978 -18.142 -17.329 322 HG SER 9 HG SER 9 -3.664 -20.044 -18.246 323 H TYR 10 H TYR 10 -0.145 -15.820 -16.727 324 HA TYR 10 HA TYR 10 0.414 -16.932 -14.012 325 1HB TYR 10 2HB TYR 10 1.916 -14.845 -15.618 326 2HB TYR 10 1HB TYR 10 2.520 -15.773 -14.246 327 HD1 TYR 10 HD1 TYR 10 1.969 -15.733 -17.829 328 HD2 TYR 10 HD2 TYR 10 2.792 -18.277 -14.467 329 HE1 TYR 10 HE1 TYR 10 2.721 -17.524 -19.369 330 HE2 TYR 10 HE2 TYR 10 3.544 -20.069 -16.008 331 HH TYR 10 HH TYR 10 2.905 -20.053 -19.294 332 H ASP 11 H ASP 11 1.604 -14.328 -13.215 333 HA ASP 11 HA ASP 11 -0.697 -13.157 -11.950 334 1HB ASP 11 2HB ASP 11 2.227 -12.513 -12.255 335 2HB ASP 11 1HB ASP 11 1.151 -11.377 -11.441 336 H LEU 12 H LEU 12 -0.737 -10.534 -12.150 337 HA LEU 12 HA LEU 12 -0.238 -9.269 -14.635 338 1HB LEU 12 2HB LEU 12 -2.677 -9.417 -15.475 339 2HB LEU 12 1HB LEU 12 -1.678 -10.856 -15.672 340 HG LEU 12 HG LEU 12 -2.595 -11.711 -13.493 341 1HD1 LEU 12 1HD1 LEU 12 -3.337 -9.780 -12.360 342 2HD1 LEU 12 2HD1 LEU 12 -4.835 -10.553 -12.876 343 3HD1 LEU 12 3HD1 LEU 12 -4.200 -9.174 -13.773 344 1HD2 LEU 12 1HD2 LEU 12 -4.814 -12.310 -14.432 345 2HD2 LEU 12 2HD2 LEU 12 -3.537 -12.460 -15.639 346 3HD2 LEU 12 3HD2 LEU 12 -4.616 -11.065 -15.665 347 H GLY 13 H GLY 13 -1.984 -7.365 -14.925 348 1HA GLY 13 2HA GLY 13 -3.141 -6.513 -12.346 349 2HA GLY 13 1HA GLY 13 -1.844 -5.502 -12.982 350 H LYS 14 H LYS 14 -2.180 -4.604 -15.192 351 HA LYS 14 HA LYS 14 -4.931 -4.587 -16.216 352 1HB LYS 14 2HB LYS 14 -3.639 -2.400 -14.652 353 2HB LYS 14 1HB LYS 14 -4.653 -1.930 -16.016 354 1HG LYS 14 2HG LYS 14 -5.476 -3.665 -13.669 355 2HG LYS 14 1HG LYS 14 -6.031 -2.026 -14.012 356 1HD LYS 14 2HD LYS 14 -6.659 -3.192 -16.361 357 2HD LYS 14 1HD LYS 14 -6.804 -4.593 -15.299 358 1HE LYS 14 2HE LYS 14 -8.970 -3.431 -15.437 359 2HE LYS 14 1HE LYS 14 -8.305 -3.238 -13.803 360 1HZ LYS 14 1HZ LYS 14 -7.805 -1.074 -14.153 361 2HZ LYS 14 2HZ LYS 14 -9.061 -1.174 -15.293 362 3HZ LYS 14 3HZ LYS 14 -7.442 -1.299 -15.794 363 H LYS 15 H LYS 15 -2.956 -1.815 -16.795 364 HA LYS 15 HA LYS 15 -1.564 -2.963 -19.119 365 1HB LYS 15 2HB LYS 15 -3.971 -1.139 -19.295 366 2HB LYS 15 1HB LYS 15 -2.820 -1.296 -20.622 367 1HG LYS 15 2HG LYS 15 -3.191 -3.823 -20.452 368 2HG LYS 15 1HG LYS 15 -4.569 -3.447 -19.418 369 1HD LYS 15 2HD LYS 15 -4.833 -1.732 -21.624 370 2HD LYS 15 1HD LYS 15 -4.359 -3.288 -22.308 371 1HE LYS 15 2HE LYS 15 -6.302 -4.331 -21.632 372 2HE LYS 15 1HE LYS 15 -6.450 -3.330 -20.173 373 1HZ LYS 15 1HZ LYS 15 -6.880 -2.418 -22.969 374 2HZ LYS 15 2HZ LYS 15 -6.944 -1.421 -21.595 375 3HZ LYS 15 3HZ LYS 15 -8.090 -2.658 -21.807 376 HA PRO 16 HA PRO 16 1.109 0.384 -18.084 377 1HB PRO 16 2HB PRO 16 2.516 0.542 -20.426 378 2HB PRO 16 1HB PRO 16 2.755 -0.755 -19.238 379 1HG PRO 16 2HG PRO 16 1.194 -0.780 -21.777 380 2HG PRO 16 1HG PRO 16 2.239 -2.031 -21.082 381 1HD PRO 16 2HD PRO 16 -0.470 -2.117 -20.925 382 2HD PRO 16 1HD PRO 16 0.595 -2.815 -19.684 383 H ILE 17 H ILE 17 0.094 2.338 -17.952 384 HA ILE 17 HA ILE 17 -0.932 3.612 -20.446 385 HB ILE 17 HB ILE 17 -2.014 5.116 -18.574 386 1HG1 ILE 17 2HG1 ILE 17 -1.792 2.607 -16.946 387 2HG1 ILE 17 1HG1 ILE 17 -0.489 3.790 -16.866 388 1HG2 ILE 17 1HG2 ILE 17 -3.457 3.809 -19.896 389 2HG2 ILE 17 2HG2 ILE 17 -3.784 3.242 -18.258 390 3HG2 ILE 17 3HG2 ILE 17 -2.751 2.295 -19.329 391 1HD1 ILE 17 1HD1 ILE 17 -3.223 4.903 -16.661 392 2HD1 ILE 17 2HD1 ILE 17 -1.766 5.318 -15.757 393 3HD1 ILE 17 3HD1 ILE 17 -2.708 3.899 -15.305 394 H TYR 18 H TYR 18 -0.479 5.958 -20.690 395 HA TYR 18 HA TYR 18 2.043 6.788 -19.289 396 1HB TYR 18 2HB TYR 18 1.662 6.119 -21.956 397 2HB TYR 18 1HB TYR 18 1.571 7.879 -21.970 398 HD1 TYR 18 HD1 TYR 18 3.525 5.693 -19.663 399 HD2 TYR 18 HD2 TYR 18 3.656 8.526 -22.889 400 HE1 TYR 18 HE1 TYR 18 5.992 5.825 -19.447 401 HE2 TYR 18 HE2 TYR 18 6.123 8.658 -22.672 402 HH TYR 18 HH TYR 18 7.858 6.735 -20.217 403 H LYS 19 H LYS 19 1.087 8.233 -17.813 404 HA LYS 19 HA LYS 19 -0.128 10.673 -19.024 405 1HB LYS 19 2HB LYS 19 -1.473 8.603 -17.564 406 2HB LYS 19 1HB LYS 19 -1.467 10.063 -16.575 407 1HG LYS 19 2HG LYS 19 -3.420 10.229 -17.930 408 2HG LYS 19 1HG LYS 19 -2.240 11.312 -18.671 409 1HD LYS 19 2HD LYS 19 -1.849 8.695 -19.758 410 2HD LYS 19 1HD LYS 19 -3.567 9.083 -19.863 411 1HE LYS 19 2HE LYS 19 -1.846 11.351 -20.592 412 2HE LYS 19 1HE LYS 19 -1.651 9.949 -21.662 413 1HZ LYS 19 1HZ LYS 19 -3.519 11.336 -22.360 414 2HZ LYS 19 2HZ LYS 19 -4.248 11.140 -20.838 415 3HZ LYS 19 3HZ LYS 19 -4.049 9.802 -21.867 416 H LYS 20 H LYS 20 0.615 12.532 -18.015 417 HA LYS 20 HA LYS 20 1.335 12.822 -15.294 418 1HB LYS 20 2HB LYS 20 3.116 11.218 -16.801 419 2HB LYS 20 1HB LYS 20 3.942 12.753 -16.536 420 1HG LYS 20 2HG LYS 20 2.517 11.705 -14.173 421 2HG LYS 20 1HG LYS 20 3.872 10.713 -14.713 422 1HD LYS 20 2HD LYS 20 5.405 12.254 -14.068 423 2HD LYS 20 1HD LYS 20 4.456 13.593 -14.715 424 1HE LYS 20 2HE LYS 20 3.028 13.607 -12.737 425 2HE LYS 20 1HE LYS 20 3.843 12.163 -12.103 426 1HZ LYS 20 1HZ LYS 20 5.275 14.663 -12.814 427 2HZ LYS 20 2HZ LYS 20 5.892 13.321 -11.977 428 3HZ LYS 20 3HZ LYS 20 4.734 14.325 -11.243 429 H ALA 21 H ALA 21 1.756 15.002 -14.907 430 HA ALA 21 HA ALA 21 2.136 16.735 -17.325 431 1HB ALA 21 1HB ALA 21 1.234 18.085 -14.927 432 2HB ALA 21 2HB ALA 21 0.231 16.669 -15.239 433 3HB ALA 21 3HB ALA 21 0.405 17.915 -16.474 434 HA PRO 22 HA PRO 22 5.779 18.501 -15.629 435 1HB PRO 22 2HB PRO 22 5.362 21.205 -15.668 436 2HB PRO 22 1HB PRO 22 5.616 20.245 -17.140 437 1HG PRO 22 2HG PRO 22 3.086 21.285 -15.972 438 2HG PRO 22 1HG PRO 22 3.576 21.152 -17.667 439 1HD PRO 22 2HD PRO 22 1.870 19.405 -16.436 440 2HD PRO 22 1HD PRO 22 2.889 18.978 -17.828 441 H THR 23 H THR 23 4.574 17.508 -13.491 442 HA THR 23 HA THR 23 3.439 18.964 -11.451 443 HB THR 23 HB THR 23 5.818 17.240 -10.845 444 HG1 THR 23 HG1 THR 23 3.397 16.369 -12.038 445 1HG2 THR 23 1HG2 THR 23 4.141 16.227 -9.281 446 2HG2 THR 23 2HG2 THR 23 2.963 17.411 -9.847 447 3HG2 THR 23 3HG2 THR 23 4.413 17.946 -8.998 448 H ASN 24 H ASN 24 6.715 19.293 -12.673 449 HA ASN 24 HA ASN 24 8.086 20.563 -10.608 450 1HB ASN 24 2HB ASN 24 8.007 21.425 -13.517 451 2HB ASN 24 1HB ASN 24 9.363 21.601 -12.401 452 1HD2 ASN 24 1HD2 ASN 24 8.912 18.898 -11.188 453 2HD2 ASN 24 2HD2 ASN 24 9.450 17.780 -12.347 454 H GLU 25 H GLU 25 7.798 22.468 -9.500 455 HA GLU 25 HA GLU 25 6.502 24.793 -10.720 456 1HB GLU 25 2HB GLU 25 4.920 22.786 -9.547 457 2HB GLU 25 1HB GLU 25 4.990 24.075 -8.343 458 1HG GLU 25 2HG GLU 25 4.643 25.350 -10.845 459 2HG GLU 25 1HG GLU 25 3.508 24.000 -10.815 460 H PHE 26 H PHE 26 8.958 23.888 -9.104 461 HA PHE 26 HA PHE 26 10.277 24.718 -7.319 462 1HB PHE 26 2HB PHE 26 8.871 26.871 -8.742 463 2HB PHE 26 1HB PHE 26 9.411 27.341 -7.130 464 HD1 PHE 26 HD1 PHE 26 11.319 28.678 -7.494 465 HD2 PHE 26 HD2 PHE 26 10.940 24.912 -9.525 466 HE1 PHE 26 HE1 PHE 26 13.642 28.896 -8.333 467 HE2 PHE 26 HE2 PHE 26 13.263 25.130 -10.364 468 HZ PHE 26 HZ PHE 26 14.615 27.123 -9.768 469 H TYR 27 H TYR 27 8.562 23.243 -6.030 470 HA TYR 27 HA TYR 27 7.319 25.006 -3.942 471 1HB TYR 27 2HB TYR 27 6.034 23.384 -5.766 472 2HB TYR 27 1HB TYR 27 6.165 22.328 -4.359 473 HD1 TYR 27 HD1 TYR 27 6.061 24.308 -2.148 474 HD2 TYR 27 HD2 TYR 27 3.762 24.047 -5.767 475 HE1 TYR 27 HE1 TYR 27 4.200 25.528 -1.054 476 HE2 TYR 27 HE2 TYR 27 1.901 25.268 -4.673 477 HH TYR 27 HH TYR 27 1.154 25.553 -2.099 478 H ALA 28 HN ALA 28 9.800 22.932 -4.501 479 HA ALA 28 HA ALA 28 10.272 22.385 -1.703 480 1HB ALA 28 1HB ALA 28 8.882 20.394 -3.443 481 2HB ALA 28 2HB ALA 28 8.697 20.690 -1.714 482 3HB ALA 28 3HB ALA 28 10.085 19.777 -2.309 Start of MODEL 11 1 1H ARG 1 1HT ARG 1 -14.410 -17.579 -40.812 2 2H ARG 1 2HT ARG 1 -14.359 -19.062 -41.639 3 3H ARG 1 3HT ARG 1 -13.176 -18.694 -40.475 4 HA ARG 1 HA ARG 1 -15.358 -18.463 -38.967 5 1HB ARG 1 2HB ARG 1 -15.883 -20.475 -41.180 6 2HB ARG 1 1HB ARG 1 -16.865 -20.317 -39.723 7 1HG ARG 1 2HG ARG 1 -17.595 -18.137 -40.318 8 2HG ARG 1 1HG ARG 1 -16.339 -17.968 -41.547 9 1HD ARG 1 2HD ARG 1 -17.419 -19.848 -42.828 10 2HD ARG 1 1HD ARG 1 -18.749 -19.814 -41.654 11 HE ARG 1 HE ARG 1 -17.967 -17.355 -43.173 12 1HH1 ARG 1 1HH1 ARG 1 -20.093 -19.778 -43.684 13 2HH1 ARG 1 2HH1 ARG 1 -21.541 -18.846 -43.498 14 1HH2 ARG 1 1HH2 ARG 1 -19.907 -16.075 -42.203 15 2HH2 ARG 1 2HH2 ARG 1 -21.436 -16.749 -42.660 16 H MET 2 H MET 2 -14.259 -19.318 -37.239 17 HA MET 2 HA MET 2 -12.838 -21.931 -37.614 18 1HB MET 2 2HB MET 2 -12.460 -19.718 -35.569 19 2HB MET 2 1HB MET 2 -11.433 -21.140 -35.754 20 1HG MET 2 2HG MET 2 -10.266 -20.156 -37.409 21 2HG MET 2 1HG MET 2 -11.745 -19.789 -38.295 22 1HE MET 2 1HE MET 2 -8.990 -17.007 -36.223 23 2HE MET 2 2HE MET 2 -8.758 -18.432 -37.232 24 3HE MET 2 3HE MET 2 -9.217 -18.623 -35.542 25 H LYS 3 H LYS 3 -12.669 -23.022 -35.257 26 HA LYS 3 HA LYS 3 -14.946 -22.688 -33.488 27 1HB LYS 3 2HB LYS 3 -16.104 -24.768 -34.165 28 2HB LYS 3 1HB LYS 3 -16.025 -23.629 -35.510 29 1HG LYS 3 2HG LYS 3 -13.834 -24.856 -36.150 30 2HG LYS 3 1HG LYS 3 -14.401 -26.132 -35.072 31 1HD LYS 3 2HD LYS 3 -15.242 -26.758 -37.194 32 2HD LYS 3 1HD LYS 3 -16.619 -25.999 -36.394 33 1HE LYS 3 2HE LYS 3 -16.640 -24.231 -37.846 34 2HE LYS 3 1HE LYS 3 -14.868 -24.137 -37.902 35 1HZ LYS 3 1HZ LYS 3 -15.782 -24.958 -40.002 36 2HZ LYS 3 2HZ LYS 3 -16.518 -26.253 -39.184 37 3HZ LYS 3 3HZ LYS 3 -14.824 -26.135 -39.246 38 H LYS 4 H LYS 4 -12.008 -23.079 -33.363 39 HA LYS 4 HA LYS 4 -12.002 -25.328 -31.420 40 1HB LYS 4 2HB LYS 4 -10.162 -25.072 -33.823 41 2HB LYS 4 1HB LYS 4 -10.001 -26.286 -32.553 42 1HG LYS 4 2HG LYS 4 -12.287 -27.110 -33.086 43 2HG LYS 4 1HG LYS 4 -12.376 -25.945 -34.407 44 1HD LYS 4 2HD LYS 4 -9.916 -27.486 -34.533 45 2HD LYS 4 1HD LYS 4 -11.331 -28.539 -34.550 46 1HE LYS 4 2HE LYS 4 -11.875 -26.292 -36.250 47 2HE LYS 4 1HE LYS 4 -10.309 -26.988 -36.711 48 1HZ LYS 4 1HZ LYS 4 -12.450 -28.850 -36.025 49 2HZ LYS 4 2HZ LYS 4 -11.223 -28.991 -37.191 50 3HZ LYS 4 3HZ LYS 4 -12.595 -28.040 -37.509 51 H LYS 5 H LYS 5 -9.420 -25.413 -30.704 52 HA LYS 5 HA LYS 5 -7.976 -24.235 -29.224 53 1HB LYS 5 2HB LYS 5 -6.579 -22.768 -30.533 54 2HB LYS 5 1HB LYS 5 -7.152 -24.033 -31.619 55 1HG LYS 5 2HG LYS 5 -8.789 -22.591 -32.592 56 2HG LYS 5 1HG LYS 5 -8.572 -21.378 -31.329 57 1HD LYS 5 2HD LYS 5 -7.282 -20.443 -33.011 58 2HD LYS 5 1HD LYS 5 -6.062 -21.419 -32.192 59 1HE LYS 5 2HE LYS 5 -5.697 -22.263 -34.296 60 2HE LYS 5 1HE LYS 5 -7.128 -23.251 -33.941 61 1HZ LYS 5 1HZ LYS 5 -8.521 -21.472 -34.818 62 2HZ LYS 5 2HZ LYS 5 -7.433 -22.022 -36.001 63 3HZ LYS 5 3HZ LYS 5 -7.145 -20.555 -35.193 64 H ASP 6 H ASP 6 -7.390 -21.462 -29.142 65 HA ASP 6 HA ASP 6 -9.599 -19.694 -29.008 66 1HB ASP 6 2HB ASP 6 -9.464 -21.769 -26.952 67 2HB ASP 6 1HB ASP 6 -9.508 -20.149 -26.256 68 H GLU 7 H GLU 7 -9.111 -18.108 -26.878 69 HA GLU 7 HA GLU 7 -6.713 -16.738 -27.441 70 1HB GLU 7 2HB GLU 7 -8.152 -16.900 -24.775 71 2HB GLU 7 1HB GLU 7 -7.225 -15.535 -25.402 72 1HG GLU 7 2HG GLU 7 -8.917 -15.651 -27.403 73 2HG GLU 7 1HG GLU 7 -9.926 -16.537 -26.259 74 H GLY 8 H GLY 8 -5.189 -16.376 -25.240 75 1HA GLY 8 2HA GLY 8 -3.752 -18.933 -25.021 76 2HA GLY 8 1HA GLY 8 -3.193 -17.376 -24.411 77 H SER 9 H SER 9 -3.744 -16.765 -22.298 78 HA SER 9 HA SER 9 -5.730 -18.160 -20.727 79 1HB SER 9 2HB SER 9 -2.917 -19.082 -20.849 80 2HB SER 9 1HB SER 9 -3.601 -18.962 -19.230 81 HG SER 9 HG SER 9 -4.248 -20.642 -21.344 82 H TYR 10 H TYR 10 -2.626 -17.280 -19.358 83 HA TYR 10 HA TYR 10 -3.455 -15.590 -17.353 84 1HB TYR 10 2HB TYR 10 -1.203 -14.664 -17.455 85 2HB TYR 10 1HB TYR 10 -1.129 -16.371 -17.892 86 HD1 TYR 10 HD1 TYR 10 -0.507 -12.979 -18.973 87 HD2 TYR 10 HD2 TYR 10 -1.092 -17.002 -20.363 88 HE1 TYR 10 HE1 TYR 10 0.512 -12.376 -21.153 89 HE2 TYR 10 HE2 TYR 10 -0.077 -16.398 -22.542 90 HH TYR 10 HH TYR 10 1.352 -14.767 -23.512 91 H ASP 11 H ASP 11 -5.063 -14.057 -17.677 92 HA ASP 11 HA ASP 11 -5.228 -12.407 -20.051 93 1HB ASP 11 2HB ASP 11 -7.143 -11.486 -18.911 94 2HB ASP 11 1HB ASP 11 -7.098 -13.207 -18.529 95 H LEU 12 H LEU 12 -5.946 -10.004 -18.341 96 HA LEU 12 HA LEU 12 -4.864 -7.991 -17.729 97 1HB LEU 12 2HB LEU 12 -3.160 -10.175 -16.503 98 2HB LEU 12 1HB LEU 12 -2.926 -8.466 -16.138 99 HG LEU 12 HG LEU 12 -5.425 -10.109 -15.652 100 1HD1 LEU 12 1HD1 LEU 12 -3.925 -8.475 -13.625 101 2HD1 LEU 12 2HD1 LEU 12 -3.326 -10.075 -14.068 102 3HD1 LEU 12 3HD1 LEU 12 -4.940 -9.896 -13.378 103 1HD2 LEU 12 1HD2 LEU 12 -5.028 -7.225 -16.027 104 2HD2 LEU 12 2HD2 LEU 12 -5.785 -7.622 -14.485 105 3HD2 LEU 12 3HD2 LEU 12 -6.526 -8.156 -15.995 106 H GLY 13 H GLY 13 -2.624 -6.841 -17.879 107 1HA GLY 13 2HA GLY 13 -1.213 -7.836 -20.325 108 2HA GLY 13 1HA GLY 13 -1.462 -6.123 -19.981 109 H LYS 14 H LYS 14 -0.573 -5.517 -17.662 110 HA LYS 14 HA LYS 14 1.694 -7.027 -16.676 111 1HB LYS 14 2HB LYS 14 1.992 -4.969 -18.797 112 2HB LYS 14 1HB LYS 14 3.175 -4.913 -17.490 113 1HG LYS 14 2HG LYS 14 4.277 -6.620 -18.451 114 2HG LYS 14 1HG LYS 14 2.865 -7.644 -18.191 115 1HD LYS 14 2HD LYS 14 1.930 -6.502 -20.338 116 2HD LYS 14 1HD LYS 14 3.609 -6.050 -20.635 117 1HE LYS 14 2HE LYS 14 4.070 -8.137 -21.380 118 2HE LYS 14 1HE LYS 14 3.466 -8.840 -19.865 119 1HZ LYS 14 1HZ LYS 14 1.198 -8.524 -20.693 120 2HZ LYS 14 2HZ LYS 14 2.090 -9.556 -21.706 121 3HZ LYS 14 3HZ LYS 14 1.808 -7.945 -22.165 122 H LYS 15 H LYS 15 2.014 -3.578 -16.888 123 HA LYS 15 HA LYS 15 0.691 -3.171 -14.255 124 1HB LYS 15 2HB LYS 15 3.620 -2.838 -14.932 125 2HB LYS 15 1HB LYS 15 2.886 -2.014 -13.555 126 1HG LYS 15 2HG LYS 15 1.999 -4.360 -12.892 127 2HG LYS 15 1HG LYS 15 3.214 -4.975 -14.012 128 1HD LYS 15 2HD LYS 15 4.881 -3.468 -12.745 129 2HD LYS 15 1HD LYS 15 3.637 -3.360 -11.499 130 1HE LYS 15 2HE LYS 15 5.058 -5.205 -10.873 131 2HE LYS 15 1HE LYS 15 3.583 -5.932 -11.543 132 1HZ LYS 15 1HZ LYS 15 5.859 -5.233 -13.289 133 2HZ LYS 15 2HZ LYS 15 4.598 -6.335 -13.575 134 3HZ LYS 15 3HZ LYS 15 5.830 -6.716 -12.468 135 HA PRO 16 HA PRO 16 -0.341 0.540 -16.457 136 1HB PRO 16 2HB PRO 16 -1.609 1.809 -14.392 137 2HB PRO 16 1HB PRO 16 -2.350 0.485 -15.316 138 1HG PRO 16 2HG PRO 16 -1.050 0.429 -12.640 139 2HG PRO 16 1HG PRO 16 -2.484 -0.435 -13.217 140 1HD PRO 16 2HD PRO 16 -0.022 -1.588 -12.975 141 2HD PRO 16 1HD PRO 16 -1.252 -2.129 -14.137 142 H ILE 17 H ILE 17 0.358 2.766 -16.463 143 HA ILE 17 HA ILE 17 2.371 3.493 -14.372 144 HB ILE 17 HB ILE 17 2.679 4.115 -17.296 145 1HG1 ILE 17 2HG1 ILE 17 3.804 1.664 -15.913 146 2HG1 ILE 17 1HG1 ILE 17 2.388 1.621 -16.962 147 1HG2 ILE 17 1HG2 ILE 17 4.223 4.447 -14.848 148 2HG2 ILE 17 2HG2 ILE 17 4.456 5.200 -16.426 149 3HG2 ILE 17 3HG2 ILE 17 5.145 3.610 -16.096 150 1HD1 ILE 17 1HD1 ILE 17 5.227 2.341 -17.700 151 2HD1 ILE 17 2HD1 ILE 17 3.858 2.754 -18.733 152 3HD1 ILE 17 3HD1 ILE 17 4.215 1.064 -18.377 153 H TYR 18 H TYR 18 3.004 6.008 -15.102 154 HA TYR 18 HA TYR 18 0.766 7.590 -16.065 155 1HB TYR 18 2HB TYR 18 0.601 6.617 -13.454 156 2HB TYR 18 1HB TYR 18 1.178 8.272 -13.251 157 HD1 TYR 18 HD1 TYR 18 -0.998 6.921 -15.966 158 HD2 TYR 18 HD2 TYR 18 -0.750 9.412 -12.474 159 HE1 TYR 18 HE1 TYR 18 -3.282 7.776 -16.413 160 HE2 TYR 18 HE2 TYR 18 -3.035 10.267 -12.922 161 HH TYR 18 HH TYR 18 -5.077 9.503 -14.128 162 H LYS 19 H LYS 19 2.955 8.105 -17.187 163 HA LYS 19 HA LYS 19 4.176 10.439 -15.782 164 1HB LYS 19 2HB LYS 19 5.531 8.373 -15.410 165 2HB LYS 19 1HB LYS 19 5.689 8.195 -17.158 166 1HG LYS 19 2HG LYS 19 7.662 9.330 -16.580 167 2HG LYS 19 1HG LYS 19 6.595 10.641 -17.083 168 1HD LYS 19 2HD LYS 19 6.283 11.405 -14.921 169 2HD LYS 19 1HD LYS 19 6.548 9.813 -14.209 170 1HE LYS 19 2HE LYS 19 8.889 10.001 -14.336 171 2HE LYS 19 1HE LYS 19 8.813 11.248 -15.598 172 1HZ LYS 19 1HZ LYS 19 8.067 11.505 -12.740 173 2HZ LYS 19 2HZ LYS 19 7.587 12.635 -13.913 174 3HZ LYS 19 3HZ LYS 19 9.237 12.390 -13.591 175 H LYS 20 H LYS 20 4.941 12.051 -17.242 176 HA LYS 20 HA LYS 20 5.360 11.805 -20.017 177 1HB LYS 20 2HB LYS 20 2.638 11.470 -19.209 178 2HB LYS 20 1HB LYS 20 2.753 12.992 -20.093 179 1HG LYS 20 2HG LYS 20 4.168 11.608 -21.799 180 2HG LYS 20 1HG LYS 20 3.408 10.212 -21.035 181 1HD LYS 20 2HD LYS 20 1.732 10.585 -22.526 182 2HD LYS 20 1HD LYS 20 1.252 11.858 -21.403 183 1HE LYS 20 2HE LYS 20 3.317 12.952 -23.024 184 2HE LYS 20 1HE LYS 20 2.169 12.147 -24.113 185 1HZ LYS 20 1HZ LYS 20 0.437 13.425 -23.400 186 2HZ LYS 20 2HZ LYS 20 1.693 14.550 -23.197 187 3HZ LYS 20 3HZ LYS 20 1.100 13.685 -21.861 188 H ALA 21 H ALA 21 5.796 13.866 -20.961 189 HA ALA 21 HA ALA 21 4.965 16.360 -19.717 190 1HB ALA 21 1HB ALA 21 7.587 16.742 -19.219 191 2HB ALA 21 2HB ALA 21 7.513 14.996 -18.986 192 3HB ALA 21 3HB ALA 21 6.493 16.059 -18.017 193 HA PRO 22 HA PRO 22 6.144 17.513 -23.816 194 1HB PRO 22 2HB PRO 22 5.825 20.217 -23.543 195 2HB PRO 22 1HB PRO 22 4.459 19.094 -23.692 196 1HG PRO 22 2HG PRO 22 5.581 20.395 -21.265 197 2HG PRO 22 1HG PRO 22 3.897 20.054 -21.686 198 1HD PRO 22 2HD PRO 22 5.361 18.549 -19.935 199 2HD PRO 22 1HD PRO 22 3.993 17.918 -20.879 200 H THR 23 H THR 23 8.414 16.821 -22.667 201 HA THR 23 HA THR 23 10.321 18.535 -21.669 202 HB THR 23 HB THR 23 10.502 16.091 -22.324 203 HG1 THR 23 HG1 THR 23 12.312 17.451 -21.745 204 1HG2 THR 23 1HG2 THR 23 9.687 16.345 -24.636 205 2HG2 THR 23 2HG2 THR 23 11.289 15.608 -24.609 206 3HG2 THR 23 3HG2 THR 23 11.109 17.310 -25.031 207 H ASN 24 H ASN 24 11.996 19.871 -22.706 208 HA ASN 24 HA ASN 24 12.754 21.497 -24.250 209 1HB ASN 24 2HB ASN 24 12.100 19.277 -25.664 210 2HB ASN 24 1HB ASN 24 10.966 20.429 -26.372 211 1HD2 ASN 24 1HD2 ASN 24 12.601 22.799 -26.147 212 2HD2 ASN 24 2HD2 ASN 24 13.918 22.626 -27.203 213 H GLU 25 H GLU 25 12.029 23.592 -24.342 214 HA GLU 25 HA GLU 25 9.318 24.253 -25.238 215 1HB GLU 25 2HB GLU 25 9.489 23.452 -22.675 216 2HB GLU 25 1HB GLU 25 9.919 25.148 -22.456 217 1HG GLU 25 2HG GLU 25 7.698 25.012 -24.257 218 2HG GLU 25 1HG GLU 25 7.321 24.037 -22.836 219 H PHE 26 H PHE 26 9.048 26.801 -24.417 220 HA PHE 26 HA PHE 26 11.437 28.385 -24.240 221 1HB PHE 26 2HB PHE 26 11.369 27.178 -26.605 222 2HB PHE 26 1HB PHE 26 10.264 28.496 -26.998 223 HD1 PHE 26 HD1 PHE 26 11.024 30.890 -26.629 224 HD2 PHE 26 HD2 PHE 26 13.712 27.543 -26.451 225 HE1 PHE 26 HE1 PHE 26 12.953 32.423 -26.912 226 HE2 PHE 26 HE2 PHE 26 15.639 29.077 -26.734 227 HZ PHE 26 HZ PHE 26 15.261 31.517 -26.964 228 H TYR 27 H TYR 27 10.930 30.698 -24.371 229 HA TYR 27 HA TYR 27 8.240 31.615 -25.012 230 1HB TYR 27 2HB TYR 27 7.774 30.431 -22.936 231 2HB TYR 27 1HB TYR 27 9.114 31.246 -22.129 232 HD1 TYR 27 HD1 TYR 27 8.234 32.703 -20.524 233 HD2 TYR 27 HD2 TYR 27 6.430 32.516 -24.419 234 HE1 TYR 27 HE1 TYR 27 6.730 34.579 -19.918 235 HE2 TYR 27 HE2 TYR 27 4.927 34.393 -23.812 236 HH TYR 27 HH TYR 27 5.308 36.468 -21.777 237 H ALA 28 HN ALA 28 11.182 32.291 -25.367 238 HA ALA 28 HA ALA 28 12.449 34.281 -25.544 239 1HB ALA 28 1HB ALA 28 11.071 35.928 -26.266 240 2HB ALA 28 2HB ALA 28 10.317 36.071 -24.678 241 3HB ALA 28 3HB ALA 28 9.726 34.873 -25.831 242 1H ARG 1 1HT ARG 1 6.592 -19.094 8.915 243 2H ARG 1 2HT ARG 1 5.938 -20.304 9.913 244 3H ARG 1 3HT ARG 1 4.994 -19.613 8.683 245 HA ARG 1 HA ARG 1 7.026 -20.514 7.217 246 1HB ARG 1 2HB ARG 1 6.707 -22.274 9.670 247 2HB ARG 1 1HB ARG 1 7.625 -22.725 8.233 248 1HG ARG 1 2HG ARG 1 9.225 -21.005 8.578 249 2HG ARG 1 1HG ARG 1 8.194 -20.173 9.743 250 1HD ARG 1 2HD ARG 1 8.409 -22.163 11.271 251 2HD ARG 1 1HD ARG 1 9.595 -22.838 10.138 252 HE ARG 1 HE ARG 1 9.970 -20.116 11.326 253 1HH1 ARG 1 1HH1 ARG 1 10.883 -23.129 12.184 254 2HH1 ARG 1 2HH1 ARG 1 12.584 -22.928 11.926 255 1HH2 ARG 1 1HH2 ARG 1 12.243 -19.905 10.261 256 2HH2 ARG 1 2HH2 ARG 1 13.354 -21.103 10.838 257 H MET 2 H MET 2 5.621 -21.025 5.576 258 HA MET 2 HA MET 2 3.237 -22.722 6.226 259 1HB MET 2 2HB MET 2 3.778 -20.823 3.918 260 2HB MET 2 1HB MET 2 2.251 -21.642 4.247 261 1HG MET 2 2HG MET 2 1.655 -20.064 5.737 262 2HG MET 2 1HG MET 2 3.175 -20.254 6.613 263 1HE MET 2 1HE MET 2 1.803 -16.840 4.145 264 2HE MET 2 2HE MET 2 1.015 -17.899 5.312 265 3HE MET 2 3HE MET 2 1.304 -18.469 3.671 266 H LYS 3 H LYS 3 2.557 -23.915 4.015 267 HA LYS 3 HA LYS 3 4.714 -24.795 2.281 268 1HB LYS 3 2HB LYS 3 4.899 -27.071 3.235 269 2HB LYS 3 1HB LYS 3 5.347 -25.852 4.430 270 1HG LYS 3 2HG LYS 3 2.860 -25.948 5.155 271 2HG LYS 3 1HG LYS 3 2.805 -27.464 4.255 272 1HD LYS 3 2HD LYS 3 3.357 -28.125 6.458 273 2HD LYS 3 1HD LYS 3 4.904 -28.124 5.609 274 1HE LYS 3 2HE LYS 3 5.711 -26.371 6.838 275 2HE LYS 3 1HE LYS 3 4.148 -25.529 6.833 276 1HZ LYS 3 1HZ LYS 3 4.685 -26.399 9.041 277 2HZ LYS 3 2HZ LYS 3 4.780 -27.972 8.406 278 3HZ LYS 3 3HZ LYS 3 3.298 -27.140 8.407 279 H LYS 4 H LYS 4 1.885 -23.918 2.125 280 HA LYS 4 HA LYS 4 0.874 -26.169 0.469 281 1HB LYS 4 2HB LYS 4 -0.619 -24.867 2.772 282 2HB LYS 4 1HB LYS 4 -1.314 -26.043 1.655 283 1HG LYS 4 2HG LYS 4 0.422 -27.687 2.346 284 2HG LYS 4 1HG LYS 4 1.032 -26.517 3.517 285 1HD LYS 4 2HD LYS 4 -1.847 -26.844 3.762 286 2HD LYS 4 1HD LYS 4 -1.010 -28.386 3.944 287 1HE LYS 4 2HE LYS 4 0.481 -26.394 5.374 288 2HE LYS 4 1HE LYS 4 -1.220 -26.300 5.874 289 1HZ LYS 4 1HZ LYS 4 -0.088 -28.961 5.476 290 2HZ LYS 4 2HZ LYS 4 -1.228 -28.427 6.618 291 3HZ LYS 4 3HZ LYS 4 0.426 -28.116 6.855 292 H LYS 5 H LYS 5 -1.520 -25.236 -0.301 293 HA LYS 5 HA LYS 5 -2.369 -23.746 -1.952 294 1HB LYS 5 2HB LYS 5 -2.976 -21.679 -0.869 295 2HB LYS 5 1HB LYS 5 -2.963 -22.926 0.378 296 1HG LYS 5 2HG LYS 5 -0.844 -22.207 1.213 297 2HG LYS 5 1HG LYS 5 -0.560 -21.180 -0.193 298 1HD LYS 5 2HD LYS 5 -1.287 -19.590 1.328 299 2HD LYS 5 1HD LYS 5 -2.828 -20.048 0.601 300 1HE LYS 5 2HE LYS 5 -3.459 -20.397 2.780 301 2HE LYS 5 1HE LYS 5 -2.591 -21.933 2.587 302 1HZ LYS 5 1HZ LYS 5 -0.552 -20.820 3.278 303 2HZ LYS 5 2HZ LYS 5 -1.738 -20.710 4.490 304 3HZ LYS 5 3HZ LYS 5 -1.399 -19.368 3.503 305 H ASP 6 H ASP 6 -1.725 -21.018 -2.385 306 HA ASP 6 HA ASP 6 1.020 -20.385 -2.673 307 1HB ASP 6 2HB ASP 6 -0.037 -22.440 -4.464 308 2HB ASP 6 1HB ASP 6 0.670 -21.088 -5.350 309 H GLU 7 H GLU 7 1.193 -19.012 -4.991 310 HA GLU 7 HA GLU 7 -0.384 -16.698 -4.663 311 1HB GLU 7 2HB GLU 7 0.779 -17.776 -7.250 312 2HB GLU 7 1HB GLU 7 0.536 -16.082 -6.819 313 1HG GLU 7 2HG GLU 7 2.073 -16.661 -4.773 314 2HG GLU 7 1HG GLU 7 2.579 -18.022 -5.773 315 H GLY 8 H GLY 8 -1.668 -15.994 -6.931 316 1HA GLY 8 2HA GLY 8 -4.060 -17.706 -6.879 317 2HA GLY 8 1HA GLY 8 -3.922 -16.145 -7.688 318 H SER 9 H SER 9 -3.221 -16.086 -9.843 319 HA SER 9 HA SER 9 -2.057 -18.370 -11.179 320 1HB SER 9 2HB SER 9 -4.991 -17.992 -11.023 321 2HB SER 9 1HB SER 9 -4.364 -18.369 -12.625 322 HG SER 9 HG SER 9 -4.434 -19.897 -10.307 323 H TYR 10 H TYR 10 -4.531 -16.431 -12.727 324 HA TYR 10 HA TYR 10 -3.119 -15.509 -14.901 325 1HB TYR 10 2HB TYR 10 -4.763 -13.711 -14.972 326 2HB TYR 10 1HB TYR 10 -5.540 -15.157 -14.334 327 HD1 TYR 10 HD1 TYR 10 -4.638 -11.720 -13.689 328 HD2 TYR 10 HD2 TYR 10 -5.775 -15.410 -11.807 329 HE1 TYR 10 HE1 TYR 10 -5.245 -10.483 -11.627 330 HE2 TYR 10 HE2 TYR 10 -6.379 -14.173 -9.745 331 HH TYR 10 HH TYR 10 -6.956 -11.988 -9.019 332 H ASP 11 H ASP 11 -1.004 -14.774 -14.722 333 HA ASP 11 HA ASP 11 -0.092 -13.076 -12.562 334 1HB ASP 11 2HB ASP 11 2.002 -13.199 -13.752 335 2HB ASP 11 1HB ASP 11 1.221 -14.772 -13.923 336 H LEU 12 H LEU 12 1.530 -11.429 -14.529 337 HA LEU 12 HA LEU 12 1.388 -9.238 -15.409 338 1HB LEU 12 2HB LEU 12 -1.114 -10.626 -16.407 339 2HB LEU 12 1HB LEU 12 -0.611 -9.036 -16.983 340 HG LEU 12 HG LEU 12 0.941 -11.629 -17.198 341 1HD1 LEU 12 1HD1 LEU 12 0.220 -9.773 -19.448 342 2HD1 LEU 12 2HD1 LEU 12 -0.987 -10.901 -18.832 343 3HD1 LEU 12 3HD1 LEU 12 0.531 -11.508 -19.494 344 1HD2 LEU 12 1HD2 LEU 12 1.814 -8.827 -17.187 345 2HD2 LEU 12 2HD2 LEU 12 2.290 -9.692 -18.649 346 3HD2 LEU 12 3HD2 LEU 12 2.775 -10.300 -17.066 347 H GLY 13 H GLY 13 -0.149 -7.239 -15.460 348 1HA GLY 13 2HA GLY 13 -1.783 -7.238 -12.951 349 2HA GLY 13 1HA GLY 13 -0.841 -5.848 -13.492 350 H LYS 14 H LYS 14 -1.451 -5.208 -15.892 351 HA LYS 14 HA LYS 14 -4.170 -5.722 -16.748 352 1HB LYS 14 2HB LYS 14 -3.511 -3.491 -14.900 353 2HB LYS 14 1HB LYS 14 -4.594 -3.098 -16.237 354 1HG LYS 14 2HG LYS 14 -6.288 -4.047 -15.106 355 2HG LYS 14 1HG LYS 14 -5.452 -5.596 -15.202 356 1HD LYS 14 2HD LYS 14 -4.062 -4.708 -13.185 357 2HD LYS 14 1HD LYS 14 -5.384 -3.554 -12.991 358 1HE LYS 14 2HE LYS 14 -6.665 -5.143 -12.011 359 2HE LYS 14 1HE LYS 14 -6.456 -6.212 -13.412 360 1HZ LYS 14 1HZ LYS 14 -4.247 -6.790 -12.568 361 2HZ LYS 14 2HZ LYS 14 -5.465 -7.215 -11.462 362 3HZ LYS 14 3HZ LYS 14 -4.514 -5.834 -11.194 363 H LYS 15 H LYS 15 -2.994 -2.465 -16.965 364 HA LYS 15 HA LYS 15 -1.694 -2.979 -19.591 365 1HB LYS 15 2HB LYS 15 -4.187 -1.358 -19.039 366 2HB LYS 15 1HB LYS 15 -3.210 -1.095 -20.485 367 1HG LYS 15 2HG LYS 15 -3.418 -3.657 -20.835 368 2HG LYS 15 1HG LYS 15 -4.750 -3.559 -19.681 369 1HD LYS 15 2HD LYS 15 -5.654 -1.652 -21.167 370 2HD LYS 15 1HD LYS 15 -4.516 -2.233 -22.382 371 1HE LYS 15 2HE LYS 15 -6.601 -3.364 -22.818 372 2HE LYS 15 1HE LYS 15 -5.555 -4.560 -22.026 373 1HZ LYS 15 1HZ LYS 15 -7.272 -2.756 -20.440 374 2HZ LYS 15 2HZ LYS 15 -6.591 -4.247 -19.988 375 3HZ LYS 15 3HZ LYS 15 -7.896 -4.200 -21.074 376 HA PRO 16 HA PRO 16 0.872 0.182 -17.827 377 1HB PRO 16 2HB PRO 16 2.503 0.533 -19.996 378 2HB PRO 16 1HB PRO 16 2.637 -0.857 -18.899 379 1HG PRO 16 2HG PRO 16 1.365 -0.682 -21.583 380 2HG PRO 16 1HG PRO 16 2.312 -1.994 -20.866 381 1HD PRO 16 2HD PRO 16 -0.412 -2.015 -21.034 382 2HD PRO 16 1HD PRO 16 0.504 -2.881 -19.781 383 H ILE 17 H ILE 17 1.183 2.477 -18.110 384 HA ILE 17 HA ILE 17 -0.388 3.729 -20.328 385 HB ILE 17 HB ILE 17 -0.324 4.773 -17.510 386 1HG1 ILE 17 2HG1 ILE 17 -2.419 2.882 -18.616 387 2HG1 ILE 17 1HG1 ILE 17 -1.125 2.370 -17.530 388 1HG2 ILE 17 1HG2 ILE 17 -1.648 5.427 -20.021 389 2HG2 ILE 17 2HG2 ILE 17 -1.497 6.393 -18.553 390 3HG2 ILE 17 3HG2 ILE 17 -2.803 5.219 -18.705 391 1HD1 ILE 17 1HD1 ILE 17 -3.373 4.308 -16.962 392 2HD1 ILE 17 2HD1 ILE 17 -1.930 4.225 -15.950 393 3HD1 ILE 17 3HD1 ILE 17 -2.979 2.816 -16.109 394 H TYR 18 H TYR 18 0.125 6.343 -19.925 395 HA TYR 18 HA TYR 18 2.848 6.932 -19.100 396 1HB TYR 18 2HB TYR 18 2.513 5.672 -21.568 397 2HB TYR 18 1HB TYR 18 2.687 7.376 -21.986 398 HD1 TYR 18 HD1 TYR 18 4.157 5.573 -19.070 399 HD2 TYR 18 HD2 TYR 18 4.895 7.490 -22.844 400 HE1 TYR 18 HE1 TYR 18 6.600 5.425 -18.668 401 HE2 TYR 18 HE2 TYR 18 7.338 7.343 -22.441 402 HH TYR 18 HH TYR 18 8.896 5.938 -21.095 403 H LYS 19 H LYS 19 1.115 8.458 -18.107 404 HA LYS 19 HA LYS 19 0.959 10.900 -19.818 405 1HB LYS 19 2HB LYS 19 -1.153 9.575 -19.974 406 2HB LYS 19 1HB LYS 19 -1.325 9.693 -18.223 407 1HG LYS 19 2HG LYS 19 -2.645 11.478 -18.986 408 2HG LYS 19 1HG LYS 19 -1.110 12.264 -18.618 409 1HD LYS 19 2HD LYS 19 -0.563 12.556 -20.847 410 2HD LYS 19 1HD LYS 19 -1.496 11.152 -21.368 411 1HE LYS 19 2HE LYS 19 -3.532 12.329 -21.327 412 2HE LYS 19 1HE LYS 19 -2.901 13.568 -20.225 413 1HZ LYS 19 1HZ LYS 19 -2.194 13.137 -23.072 414 2HZ LYS 19 2HZ LYS 19 -1.248 14.090 -22.030 415 3HZ LYS 19 3HZ LYS 19 -2.855 14.530 -22.364 416 H LYS 20 H LYS 20 0.990 12.847 -18.586 417 HA LYS 20 HA LYS 20 0.582 13.141 -15.814 418 1HB LYS 20 2HB LYS 20 2.881 11.589 -16.501 419 2HB LYS 20 1HB LYS 20 3.446 13.110 -15.812 420 1HG LYS 20 2HG LYS 20 1.625 12.675 -13.989 421 2HG LYS 20 1HG LYS 20 1.700 11.006 -14.557 422 1HD LYS 20 2HD LYS 20 3.417 10.812 -13.078 423 2HD LYS 20 1HD LYS 20 4.360 11.615 -14.334 424 1HE LYS 20 2HE LYS 20 2.998 13.669 -12.913 425 2HE LYS 20 1HE LYS 20 3.726 12.591 -11.705 426 1HZ LYS 20 1HZ LYS 20 5.817 12.918 -12.520 427 2HZ LYS 20 2HZ LYS 20 5.150 14.436 -12.891 428 3HZ LYS 20 3HZ LYS 20 5.285 13.246 -14.097 429 H ALA 21 H ALA 21 1.085 15.290 -15.138 430 HA ALA 21 HA ALA 21 2.861 17.026 -16.652 431 1HB ALA 21 1HB ALA 21 0.635 18.419 -17.264 432 2HB ALA 21 2HB ALA 21 -0.044 16.792 -17.281 433 3HB ALA 21 3HB ALA 21 1.303 17.196 -18.344 434 HA PRO 22 HA PRO 22 2.393 19.056 -12.757 435 1HB PRO 22 2HB PRO 22 3.820 21.316 -13.346 436 2HB PRO 22 1HB PRO 22 4.585 19.747 -13.025 437 1HG PRO 22 2HG PRO 22 4.055 21.097 -15.622 438 2HG PRO 22 1HG PRO 22 5.446 20.127 -15.115 439 1HD PRO 22 2HD PRO 22 3.436 19.184 -16.711 440 2HD PRO 22 1HD PRO 22 4.433 18.152 -15.662 441 H THR 23 H THR 23 0.013 19.258 -13.874 442 HA THR 23 HA THR 23 -1.014 21.484 -15.124 443 HB THR 23 HB THR 23 -2.196 19.446 -14.183 444 HG1 THR 23 HG1 THR 23 -3.274 21.364 -14.970 445 1HG2 THR 23 1HG2 THR 23 -1.288 19.609 -11.897 446 2HG2 THR 23 2HG2 THR 23 -3.051 19.622 -11.878 447 3HG2 THR 23 3HG2 THR 23 -2.156 21.126 -11.661 448 H ASN 24 H ASN 24 -1.937 23.518 -14.302 449 HA ASN 24 HA ASN 24 -1.892 25.486 -12.987 450 1HB ASN 24 2HB ASN 24 -2.202 23.388 -11.297 451 2HB ASN 24 1HB ASN 24 -0.669 24.026 -10.704 452 1HD2 ASN 24 1HD2 ASN 24 -1.150 26.821 -11.259 453 2HD2 ASN 24 2HD2 ASN 24 -2.387 27.351 -10.225 454 H GLU 25 H GLU 25 -0.346 27.071 -13.129 455 HA GLU 25 HA GLU 25 2.413 26.623 -12.247 456 1HB GLU 25 2HB GLU 25 1.850 25.667 -14.699 457 2HB GLU 25 1HB GLU 25 2.173 27.345 -15.133 458 1HG GLU 25 2HG GLU 25 4.176 26.500 -13.269 459 2HG GLU 25 1HG GLU 25 4.065 25.292 -14.551 460 H PHE 26 H PHE 26 3.716 28.697 -13.363 461 HA PHE 26 HA PHE 26 2.219 31.110 -13.795 462 1HB PHE 26 2HB PHE 26 1.834 30.284 -11.301 463 2HB PHE 26 1HB PHE 26 3.402 31.047 -11.041 464 HD1 PHE 26 HD1 PHE 26 3.719 33.473 -11.717 465 HD2 PHE 26 HD2 PHE 26 -0.138 31.586 -11.562 466 HE1 PHE 26 HE1 PHE 26 2.630 35.701 -11.674 467 HE2 PHE 26 HE2 PHE 26 -1.226 33.814 -11.518 468 HZ PHE 26 HZ PHE 26 0.158 35.872 -11.575 469 H TYR 27 H TYR 27 3.662 32.987 -13.932 470 HA TYR 27 HA TYR 27 6.502 32.748 -13.333 471 1HB TYR 27 2HB TYR 27 6.366 31.237 -15.238 472 2HB TYR 27 1HB TYR 27 5.477 32.439 -16.174 473 HD1 TYR 27 HD1 TYR 27 6.848 33.179 -17.918 474 HD2 TYR 27 HD2 TYR 27 8.507 32.719 -13.983 475 HE1 TYR 27 HE1 TYR 27 8.989 34.152 -18.707 476 HE2 TYR 27 HE2 TYR 27 10.647 33.693 -14.771 477 HH TYR 27 HH TYR 27 11.126 35.471 -17.053 478 H ALA 28 HN ALA 28 4.135 34.645 -13.144 479 HA ALA 28 HA ALA 28 3.836 36.989 -13.242 480 1HB ALA 28 1HB ALA 28 5.801 37.971 -12.689 481 2HB ALA 28 2HB ALA 28 6.501 37.587 -14.261 482 3HB ALA 28 3HB ALA 28 6.561 36.402 -12.957 Start of MODEL 12 1 1H ARG 1 1HT ARG 1 0.434 -30.325 -42.052 2 2H ARG 1 2HT ARG 1 -0.719 -30.465 -40.812 3 3H ARG 1 3HT ARG 1 -0.595 -31.672 -42.002 4 HA ARG 1 HA ARG 1 0.524 -32.656 -40.247 5 1HB ARG 1 2HB ARG 1 1.982 -31.430 -42.433 6 2HB ARG 1 1HB ARG 1 3.028 -31.616 -41.024 7 1HG ARG 1 2HG ARG 1 3.165 -33.836 -41.359 8 2HG ARG 1 1HG ARG 1 1.407 -33.982 -41.358 9 1HD ARG 1 2HD ARG 1 1.294 -34.029 -43.642 10 2HD ARG 1 1HD ARG 1 2.553 -32.790 -43.820 11 HE ARG 1 HE ARG 1 4.079 -34.794 -42.941 12 1HH1 ARG 1 1HH1 ARG 1 1.944 -36.823 -43.403 13 2HH1 ARG 1 2HH1 ARG 1 2.275 -37.350 -45.019 14 1HH2 ARG 1 1HH2 ARG 1 4.287 -34.629 -45.777 15 2HH2 ARG 1 2HH2 ARG 1 3.601 -36.107 -46.364 16 H MET 2 H MET 2 0.541 -29.224 -40.193 17 HA MET 2 HA MET 2 2.238 -29.103 -37.746 18 1HB MET 2 2HB MET 2 1.142 -27.173 -39.779 19 2HB MET 2 1HB MET 2 1.703 -26.571 -38.218 20 1HG MET 2 2HG MET 2 3.751 -28.250 -38.910 21 2HG MET 2 1HG MET 2 3.254 -27.642 -40.489 22 1HE MET 2 1HE MET 2 2.549 -24.355 -40.123 23 2HE MET 2 2HE MET 2 3.039 -25.632 -41.234 24 3HE MET 2 3HE MET 2 4.142 -24.302 -40.890 25 H LYS 3 H LYS 3 1.375 -27.962 -35.842 26 HA LYS 3 HA LYS 3 -1.621 -28.053 -35.665 27 1HB LYS 3 2HB LYS 3 -0.337 -29.934 -34.557 28 2HB LYS 3 1HB LYS 3 0.397 -28.725 -33.502 29 1HG LYS 3 2HG LYS 3 -1.630 -29.856 -32.514 30 2HG LYS 3 1HG LYS 3 -1.757 -28.099 -32.606 31 1HD LYS 3 2HD LYS 3 -3.812 -29.351 -33.398 32 2HD LYS 3 1HD LYS 3 -3.138 -28.221 -34.573 33 1HE LYS 3 2HE LYS 3 -2.101 -29.994 -35.821 34 2HE LYS 3 1HE LYS 3 -2.436 -31.174 -34.537 35 1HZ LYS 3 1HZ LYS 3 -4.444 -29.694 -36.152 36 2HZ LYS 3 2HZ LYS 3 -4.821 -30.678 -34.818 37 3HZ LYS 3 3HZ LYS 3 -4.130 -31.360 -36.213 38 H LYS 4 H LYS 4 -2.399 -26.675 -33.747 39 HA LYS 4 HA LYS 4 -0.704 -24.208 -33.517 40 1HB LYS 4 2HB LYS 4 -3.022 -24.407 -34.830 41 2HB LYS 4 1HB LYS 4 -3.680 -24.180 -33.209 42 1HG LYS 4 2HG LYS 4 -3.391 -21.965 -33.573 43 2HG LYS 4 1HG LYS 4 -1.671 -22.278 -33.333 44 1HD LYS 4 2HD LYS 4 -1.562 -22.841 -35.821 45 2HD LYS 4 1HD LYS 4 -3.184 -22.158 -35.949 46 1HE LYS 4 2HE LYS 4 -1.593 -20.393 -36.474 47 2HE LYS 4 1HE LYS 4 -2.265 -20.043 -34.869 48 1HZ LYS 4 1HZ LYS 4 0.160 -21.703 -35.223 49 2HZ LYS 4 2HZ LYS 4 -0.400 -20.945 -33.809 50 3HZ LYS 4 3HZ LYS 4 0.254 -20.016 -35.073 51 H LYS 5 H LYS 5 -2.789 -23.161 -31.623 52 HA LYS 5 HA LYS 5 -2.413 -24.958 -29.272 53 1HB LYS 5 2HB LYS 5 -1.696 -22.779 -28.050 54 2HB LYS 5 1HB LYS 5 -0.514 -23.560 -29.098 55 1HG LYS 5 2HG LYS 5 -0.457 -21.227 -29.642 56 2HG LYS 5 1HG LYS 5 -1.319 -22.017 -30.960 57 1HD LYS 5 2HD LYS 5 -2.410 -19.900 -30.102 58 2HD LYS 5 1HD LYS 5 -3.451 -21.322 -30.083 59 1HE LYS 5 2HE LYS 5 -3.471 -19.899 -27.945 60 2HE LYS 5 1HE LYS 5 -3.127 -21.624 -27.707 61 1HZ LYS 5 1HZ LYS 5 -1.521 -19.713 -26.809 62 2HZ LYS 5 2HZ LYS 5 -0.858 -19.921 -28.359 63 3HZ LYS 5 3HZ LYS 5 -0.953 -21.237 -27.289 64 H ASP 6 H ASP 6 -3.624 -23.847 -27.313 65 HA ASP 6 HA ASP 6 -6.141 -22.572 -28.338 66 1HB ASP 6 2HB ASP 6 -5.717 -24.743 -26.259 67 2HB ASP 6 1HB ASP 6 -7.271 -23.971 -26.578 68 H GLU 7 H GLU 7 -7.393 -21.659 -26.293 69 HA GLU 7 HA GLU 7 -5.536 -19.823 -24.927 70 1HB GLU 7 2HB GLU 7 -8.542 -20.101 -24.662 71 2HB GLU 7 1HB GLU 7 -7.566 -18.662 -24.360 72 1HG GLU 7 2HG GLU 7 -8.136 -18.098 -26.489 73 2HG GLU 7 1HG GLU 7 -6.875 -19.244 -26.945 74 H GLY 8 H GLY 8 -6.605 -19.408 -22.481 75 1HA GLY 8 2HA GLY 8 -7.216 -21.861 -21.047 76 2HA GLY 8 1HA GLY 8 -5.553 -21.335 -20.785 77 H SER 9 H SER 9 -5.174 -19.474 -19.537 78 HA SER 9 HA SER 9 -7.284 -17.665 -18.739 79 1HB SER 9 2HB SER 9 -6.578 -20.072 -17.115 80 2HB SER 9 1HB SER 9 -6.934 -18.579 -16.251 81 HG SER 9 HG SER 9 -8.566 -20.019 -18.065 82 H TYR 10 H TYR 10 -5.283 -16.463 -19.589 83 HA TYR 10 HA TYR 10 -3.880 -15.193 -17.452 84 1HB TYR 10 2HB TYR 10 -2.747 -17.274 -17.122 85 2HB TYR 10 1HB TYR 10 -2.519 -17.504 -18.855 86 HD1 TYR 10 HD1 TYR 10 -1.017 -15.876 -20.117 87 HD2 TYR 10 HD2 TYR 10 -1.163 -16.075 -15.829 88 HE1 TYR 10 HE1 TYR 10 1.156 -14.690 -19.989 89 HE2 TYR 10 HE2 TYR 10 1.012 -14.888 -15.701 90 HH TYR 10 HH TYR 10 2.881 -14.160 -18.608 91 H ASP 11 H ASP 11 -3.513 -13.219 -18.383 92 HA ASP 11 HA ASP 11 -2.000 -12.930 -20.832 93 1HB ASP 11 2HB ASP 11 -4.942 -13.059 -20.832 94 2HB ASP 11 1HB ASP 11 -4.290 -11.655 -21.679 95 H LEU 12 H LEU 12 -4.649 -10.763 -20.070 96 HA LEU 12 HA LEU 12 -4.597 -8.499 -19.377 97 1HB LEU 12 2HB LEU 12 -2.879 -10.109 -17.516 98 2HB LEU 12 1HB LEU 12 -2.962 -8.361 -17.294 99 HG LEU 12 HG LEU 12 -5.443 -8.512 -17.221 100 1HD1 LEU 12 1HD1 LEU 12 -5.831 -10.493 -18.534 101 2HD1 LEU 12 2HD1 LEU 12 -6.396 -10.838 -16.900 102 3HD1 LEU 12 3HD1 LEU 12 -4.845 -11.473 -17.449 103 1HD2 LEU 12 1HD2 LEU 12 -5.153 -8.683 -14.993 104 2HD2 LEU 12 2HD2 LEU 12 -3.566 -9.402 -15.265 105 3HD2 LEU 12 3HD2 LEU 12 -4.991 -10.433 -15.140 106 H GLY 13 H GLY 13 -2.829 -6.680 -18.753 107 1HA GLY 13 2HA GLY 13 -0.910 -6.689 -21.004 108 2HA GLY 13 1HA GLY 13 -1.345 -5.287 -20.025 109 H LYS 14 H LYS 14 -0.270 -4.964 -18.018 110 HA LYS 14 HA LYS 14 1.615 -6.876 -16.942 111 1HB LYS 14 2HB LYS 14 2.426 -4.859 -18.963 112 2HB LYS 14 1HB LYS 14 3.501 -5.040 -17.577 113 1HG LYS 14 2HG LYS 14 2.840 -7.663 -18.309 114 2HG LYS 14 1HG LYS 14 3.113 -6.824 -19.838 115 1HD LYS 14 2HD LYS 14 5.210 -5.855 -18.493 116 2HD LYS 14 1HD LYS 14 5.020 -7.368 -17.607 117 1HE LYS 14 2HE LYS 14 4.803 -7.736 -20.512 118 2HE LYS 14 1HE LYS 14 6.382 -7.103 -20.007 119 1HZ LYS 14 1HZ LYS 14 5.062 -9.293 -18.525 120 2HZ LYS 14 2HZ LYS 14 6.703 -8.851 -18.526 121 3HZ LYS 14 3HZ LYS 14 6.027 -9.620 -19.881 122 H LYS 15 H LYS 15 2.547 -3.534 -17.012 123 HA LYS 15 HA LYS 15 1.376 -3.157 -14.276 124 1HB LYS 15 2HB LYS 15 4.087 -2.377 -15.400 125 2HB LYS 15 1HB LYS 15 3.508 -1.925 -13.796 126 1HG LYS 15 2HG LYS 15 3.047 -4.617 -13.769 127 2HG LYS 15 1HG LYS 15 4.494 -4.534 -14.775 128 1HD LYS 15 2HD LYS 15 5.364 -2.904 -12.907 129 2HD LYS 15 1HD LYS 15 4.128 -3.685 -11.918 130 1HE LYS 15 2HE LYS 15 5.120 -5.919 -12.600 131 2HE LYS 15 1HE LYS 15 6.466 -5.015 -13.322 132 1HZ LYS 15 1HZ LYS 15 7.094 -5.443 -11.101 133 2HZ LYS 15 2HZ LYS 15 5.572 -4.997 -10.494 134 3HZ LYS 15 3HZ LYS 15 6.616 -3.817 -11.132 135 HA PRO 16 HA PRO 16 -0.313 0.407 -16.359 136 1HB PRO 16 2HB PRO 16 -1.633 1.420 -14.185 137 2HB PRO 16 1HB PRO 16 -2.240 0.044 -15.130 138 1HG PRO 16 2HG PRO 16 -0.817 0.065 -12.517 139 2HG PRO 16 1HG PRO 16 -2.146 -0.964 -13.072 140 1HD PRO 16 2HD PRO 16 0.463 -1.772 -12.981 141 2HD PRO 16 1HD PRO 16 -0.742 -2.443 -14.102 142 H ILE 17 H ILE 17 1.403 1.827 -16.744 143 HA ILE 17 HA ILE 17 2.820 3.097 -14.483 144 HB ILE 17 HB ILE 17 3.157 3.622 -17.423 145 1HG1 ILE 17 2HG1 ILE 17 5.020 1.687 -16.792 146 2HG1 ILE 17 1HG1 ILE 17 3.584 1.124 -15.937 147 1HG2 ILE 17 1HG2 ILE 17 5.631 3.479 -16.262 148 2HG2 ILE 17 2HG2 ILE 17 4.657 4.113 -14.936 149 3HG2 ILE 17 3HG2 ILE 17 4.719 4.973 -16.474 150 1HD1 ILE 17 1HD1 ILE 17 4.071 1.374 -18.856 151 2HD1 ILE 17 2HD1 ILE 17 2.460 1.819 -18.296 152 3HD1 ILE 17 3HD1 ILE 17 3.090 0.204 -17.974 153 H TYR 18 H TYR 18 3.290 5.607 -15.092 154 HA TYR 18 HA TYR 18 1.001 7.041 -16.214 155 1HB TYR 18 2HB TYR 18 0.613 6.085 -13.723 156 2HB TYR 18 1HB TYR 18 1.433 7.593 -13.315 157 HD1 TYR 18 HD1 TYR 18 0.012 9.375 -12.870 158 HD2 TYR 18 HD2 TYR 18 -1.131 6.480 -15.831 159 HE1 TYR 18 HE1 TYR 18 -2.084 10.631 -13.290 160 HE2 TYR 18 HE2 TYR 18 -3.227 7.737 -16.251 161 HH TYR 18 HH TYR 18 -3.982 10.710 -14.428 162 H LYS 19 H LYS 19 2.906 7.917 -17.390 163 HA LYS 19 HA LYS 19 4.103 10.208 -15.924 164 1HB LYS 19 2HB LYS 19 5.485 7.983 -15.855 165 2HB LYS 19 1HB LYS 19 5.855 8.363 -17.538 166 1HG LYS 19 2HG LYS 19 7.597 9.300 -16.114 167 2HG LYS 19 1HG LYS 19 6.652 10.617 -16.808 168 1HD LYS 19 2HD LYS 19 5.282 9.984 -14.468 169 2HD LYS 19 1HD LYS 19 6.981 9.853 -14.009 170 1HE LYS 19 2HE LYS 19 7.130 12.149 -15.402 171 2HE LYS 19 1HE LYS 19 5.438 12.258 -14.872 172 1HZ LYS 19 1HZ LYS 19 6.871 13.155 -13.167 173 2HZ LYS 19 2HZ LYS 19 7.797 11.731 -13.140 174 3HZ LYS 19 3HZ LYS 19 6.181 11.706 -12.614 175 H LYS 20 H LYS 20 5.092 11.771 -17.452 176 HA LYS 20 HA LYS 20 5.154 11.557 -20.259 177 1HB LYS 20 2HB LYS 20 2.522 11.531 -19.140 178 2HB LYS 20 1HB LYS 20 2.722 13.049 -20.015 179 1HG LYS 20 2HG LYS 20 3.845 10.786 -21.478 180 2HG LYS 20 1HG LYS 20 2.124 10.579 -21.152 181 1HD LYS 20 2HD LYS 20 1.624 12.064 -22.762 182 2HD LYS 20 1HD LYS 20 2.573 13.298 -21.932 183 1HE LYS 20 2HE LYS 20 4.603 11.910 -23.023 184 2HE LYS 20 1HE LYS 20 3.344 11.545 -24.220 185 1HZ LYS 20 1HZ LYS 20 4.532 14.111 -23.503 186 2HZ LYS 20 2HZ LYS 20 2.860 14.112 -23.806 187 3HZ LYS 20 3HZ LYS 20 3.942 13.572 -24.999 188 H ALA 21 H ALA 21 6.076 13.441 -21.052 189 HA ALA 21 HA ALA 21 6.007 15.846 -19.257 190 1HB ALA 21 1HB ALA 21 8.253 15.943 -20.955 191 2HB ALA 21 2HB ALA 21 8.125 14.258 -20.449 192 3HB ALA 21 3HB ALA 21 8.248 15.536 -19.239 193 HA PRO 22 HA PRO 22 4.036 17.372 -23.022 194 1HB PRO 22 2HB PRO 22 2.961 19.589 -21.830 195 2HB PRO 22 1HB PRO 22 2.217 17.980 -21.728 196 1HG PRO 22 2HG PRO 22 3.870 19.431 -19.726 197 2HG PRO 22 1HG PRO 22 2.458 18.392 -19.484 198 1HD PRO 22 2HD PRO 22 5.034 17.580 -19.058 199 2HD PRO 22 1HD PRO 22 3.707 16.478 -19.485 200 H THR 23 H THR 23 3.980 19.999 -23.655 201 HA THR 23 HA THR 23 6.409 21.421 -22.926 202 HB THR 23 HB THR 23 6.211 20.378 -25.755 203 HG1 THR 23 HG1 THR 23 7.330 18.633 -25.169 204 1HG2 THR 23 1HG2 THR 23 7.789 22.060 -25.780 205 2HG2 THR 23 2HG2 THR 23 8.815 20.707 -25.303 206 3HG2 THR 23 3HG2 THR 23 8.215 21.830 -24.083 207 H ASN 24 H ASN 24 6.682 23.319 -24.659 208 HA ASN 24 HA ASN 24 4.549 25.068 -24.579 209 1HB ASN 24 2HB ASN 24 7.039 24.822 -25.883 210 2HB ASN 24 1HB ASN 24 5.879 25.229 -27.149 211 1HD2 ASN 24 1HD2 ASN 24 7.106 27.382 -27.148 212 2HD2 ASN 24 2HD2 ASN 24 6.643 28.559 -26.017 213 H GLU 25 H GLU 25 3.047 25.763 -26.377 214 HA GLU 25 HA GLU 25 2.323 23.695 -28.362 215 1HB GLU 25 2HB GLU 25 0.085 23.397 -27.427 216 2HB GLU 25 1HB GLU 25 1.277 23.050 -26.174 217 1HG GLU 25 2HG GLU 25 0.997 25.645 -25.670 218 2HG GLU 25 1HG GLU 25 -0.572 25.388 -26.435 219 H PHE 26 H PHE 26 -0.445 24.969 -28.375 220 HA PHE 26 HA PHE 26 -0.133 27.789 -28.943 221 1HB PHE 26 2HB PHE 26 0.779 25.904 -30.885 222 2HB PHE 26 1HB PHE 26 -0.673 26.672 -31.527 223 HD1 PHE 26 HD1 PHE 26 2.453 26.967 -32.227 224 HD2 PHE 26 HD2 PHE 26 -0.426 29.327 -30.084 225 HE1 PHE 26 HE1 PHE 26 3.757 29.015 -32.730 226 HE2 PHE 26 HE2 PHE 26 0.878 31.375 -30.588 227 HZ PHE 26 HZ PHE 26 2.970 31.219 -31.911 228 H TYR 27 H TYR 27 -2.179 28.725 -29.216 229 HA TYR 27 HA TYR 27 -4.498 26.860 -29.062 230 1HB TYR 27 2HB TYR 27 -3.731 29.492 -28.042 231 2HB TYR 27 1HB TYR 27 -5.355 29.495 -28.731 232 HD1 TYR 27 HD1 TYR 27 -3.992 29.408 -25.709 233 HD2 TYR 27 HD2 TYR 27 -6.318 26.789 -28.195 234 HE1 TYR 27 HE1 TYR 27 -4.851 28.254 -23.689 235 HE2 TYR 27 HE2 TYR 27 -7.179 25.636 -26.176 236 HH TYR 27 HH TYR 27 -6.896 26.895 -23.081 237 H ALA 28 HN ALA 28 -6.502 28.478 -30.066 238 HA ALA 28 HA ALA 28 -6.038 29.803 -32.532 239 1HB ALA 28 1HB ALA 28 -6.943 27.462 -33.724 240 2HB ALA 28 2HB ALA 28 -5.785 26.881 -32.526 241 3HB ALA 28 3HB ALA 28 -5.278 28.043 -33.751 242 1H ARG 1 1HT ARG 1 -12.215 -24.095 11.289 243 2H ARG 1 2HT ARG 1 -11.264 -24.860 10.106 244 3H ARG 1 3HT ARG 1 -11.856 -25.747 11.430 245 HA ARG 1 HA ARG 1 -13.334 -26.369 9.778 246 1HB ARG 1 2HB ARG 1 -14.074 -24.384 11.758 247 2HB ARG 1 1HB ARG 1 -15.140 -24.279 10.355 248 1HG ARG 1 2HG ARG 1 -16.195 -26.174 10.952 249 2HG ARG 1 1HG ARG 1 -14.664 -27.049 11.017 250 1HD ARG 1 2HD ARG 1 -14.521 -26.863 13.291 251 2HD ARG 1 1HD ARG 1 -15.130 -25.196 13.283 252 HE ARG 1 HE ARG 1 -17.386 -26.454 12.614 253 1HH1 ARG 1 1HH1 ARG 1 -16.300 -29.124 13.375 254 2HH1 ARG 1 2HH1 ARG 1 -16.778 -29.260 15.034 255 1HH2 ARG 1 1HH2 ARG 1 -17.428 -25.875 15.402 256 2HH2 ARG 1 2HH2 ARG 1 -17.416 -27.421 16.182 257 H MET 2 H MET 2 -11.896 -23.287 9.307 258 HA MET 2 HA MET 2 -13.448 -22.755 6.819 259 1HB MET 2 2HB MET 2 -11.581 -21.241 8.632 260 2HB MET 2 1HB MET 2 -11.877 -20.652 6.995 261 1HG MET 2 2HG MET 2 -14.424 -21.207 7.829 262 2HG MET 2 1HG MET 2 -13.675 -20.682 9.336 263 1HE MET 2 1HE MET 2 -11.653 -18.074 8.594 264 2HE MET 2 2HE MET 2 -12.608 -18.877 9.837 265 3HE MET 2 3HE MET 2 -13.052 -17.258 9.305 266 H LYS 3 H LYS 3 -12.234 -22.327 4.814 267 HA LYS 3 HA LYS 3 -9.565 -23.700 4.731 268 1HB LYS 3 2HB LYS 3 -11.554 -24.978 3.824 269 2HB LYS 3 1HB LYS 3 -11.736 -23.710 2.612 270 1HG LYS 3 2HG LYS 3 -10.406 -25.703 1.824 271 2HG LYS 3 1HG LYS 3 -9.544 -24.170 1.705 272 1HD LYS 3 2HD LYS 3 -8.192 -26.068 2.698 273 2HD LYS 3 1HD LYS 3 -8.292 -24.626 3.709 274 1HE LYS 3 2HE LYS 3 -9.948 -25.628 5.134 275 2HE LYS 3 1HE LYS 3 -10.181 -26.983 4.011 276 1HZ LYS 3 1HZ LYS 3 -7.691 -26.311 5.489 277 2HZ LYS 3 2HZ LYS 3 -7.803 -27.514 4.295 278 3HZ LYS 3 3HZ LYS 3 -8.680 -27.665 5.743 279 H LYS 4 H LYS 4 -8.329 -23.025 2.682 280 HA LYS 4 HA LYS 4 -8.824 -20.120 2.108 281 1HB LYS 4 2HB LYS 4 -6.773 -21.123 3.499 282 2HB LYS 4 1HB LYS 4 -6.126 -21.393 1.880 283 1HG LYS 4 2HG LYS 4 -5.440 -19.239 1.964 284 2HG LYS 4 1HG LYS 4 -7.135 -18.820 1.718 285 1HD LYS 4 2HD LYS 4 -7.406 -18.978 4.252 286 2HD LYS 4 1HD LYS 4 -5.644 -19.037 4.341 287 1HE LYS 4 2HE LYS 4 -6.322 -16.715 4.604 288 2HE LYS 4 1HE LYS 4 -5.609 -16.879 2.988 289 1HZ LYS 4 1HZ LYS 4 -8.497 -17.299 3.475 290 2HZ LYS 4 2HZ LYS 4 -7.708 -17.027 1.996 291 3HZ LYS 4 3HZ LYS 4 -7.873 -15.763 3.119 292 H LYS 5 H LYS 5 -6.545 -20.294 0.158 293 HA LYS 5 HA LYS 5 -7.709 -22.032 -1.965 294 1HB LYS 5 2HB LYS 5 -7.467 -19.920 -3.461 295 2HB LYS 5 1HB LYS 5 -8.841 -19.994 -2.360 296 1HG LYS 5 2HG LYS 5 -7.890 -17.809 -2.104 297 2HG LYS 5 1HG LYS 5 -7.409 -18.724 -0.678 298 1HD LYS 5 2HD LYS 5 -5.546 -17.390 -1.756 299 2HD LYS 5 1HD LYS 5 -5.206 -19.111 -1.574 300 1HE LYS 5 2HE LYS 5 -4.644 -18.099 -3.867 301 2HE LYS 5 1HE LYS 5 -5.693 -19.532 -3.905 302 1HZ LYS 5 1HZ LYS 5 -6.361 -17.244 -5.070 303 2HZ LYS 5 2HZ LYS 5 -7.007 -16.961 -3.525 304 3HZ LYS 5 3HZ LYS 5 -7.507 -18.313 -4.424 305 H ASP 6 H ASP 6 -6.196 -21.786 -4.012 306 HA ASP 6 HA ASP 6 -3.348 -21.583 -3.082 307 1HB ASP 6 2HB ASP 6 -4.708 -23.604 -4.892 308 2HB ASP 6 1HB ASP 6 -2.965 -23.531 -4.628 309 H GLU 7 H GLU 7 -1.884 -21.542 -5.187 310 HA GLU 7 HA GLU 7 -2.823 -19.272 -6.816 311 1HB GLU 7 2HB GLU 7 -0.227 -20.828 -6.963 312 2HB GLU 7 1HB GLU 7 -0.509 -19.160 -7.463 313 1HG GLU 7 2HG GLU 7 0.303 -18.636 -5.405 314 2HG GLU 7 1HG GLU 7 -1.312 -19.076 -4.847 315 H GLY 8 H GLY 8 -1.746 -19.649 -9.265 316 1HA GLY 8 2HA GLY 8 -2.271 -22.283 -10.372 317 2HA GLY 8 1HA GLY 8 -3.561 -21.138 -10.742 318 H SER 9 H SER 9 -3.149 -19.459 -12.216 319 HA SER 9 HA SER 9 -0.493 -18.826 -13.169 320 1HB SER 9 2HB SER 9 -2.197 -20.884 -14.509 321 2HB SER 9 1HB SER 9 -1.264 -19.799 -15.538 322 HG SER 9 HG SER 9 -0.349 -21.564 -13.519 323 H TYR 10 H TYR 10 -1.773 -16.795 -12.526 324 HA TYR 10 HA TYR 10 -2.563 -15.320 -14.838 325 1HB TYR 10 2HB TYR 10 -4.479 -16.748 -14.944 326 2HB TYR 10 1HB TYR 10 -4.736 -16.647 -13.202 327 HD1 TYR 10 HD1 TYR 10 -5.372 -14.398 -12.188 328 HD2 TYR 10 HD2 TYR 10 -5.441 -15.157 -16.415 329 HE1 TYR 10 HE1 TYR 10 -6.840 -12.427 -12.518 330 HE2 TYR 10 HE2 TYR 10 -6.910 -13.186 -16.745 331 HH TYR 10 HH TYR 10 -8.215 -11.388 -13.999 332 H ASP 11 H ASP 11 -2.034 -13.279 -14.164 333 HA ASP 11 HA ASP 11 -3.214 -12.083 -11.810 334 1HB ASP 11 2HB ASP 11 -0.605 -13.445 -11.714 335 2HB ASP 11 1HB ASP 11 -0.579 -11.806 -11.062 336 H LEU 12 H LEU 12 0.081 -11.352 -12.756 337 HA LEU 12 HA LEU 12 0.974 -9.381 -13.719 338 1HB LEU 12 2HB LEU 12 -1.313 -10.325 -15.417 339 2HB LEU 12 1HB LEU 12 -0.504 -8.818 -15.847 340 HG LEU 12 HG LEU 12 1.677 -10.012 -15.835 341 1HD1 LEU 12 1HD1 LEU 12 1.224 -11.797 -14.281 342 2HD1 LEU 12 2HD1 LEU 12 1.545 -12.544 -15.846 343 3HD1 LEU 12 3HD1 LEU 12 -0.113 -12.390 -15.266 344 1HD2 LEU 12 1HD2 LEU 12 1.282 -10.314 -18.032 345 2HD2 LEU 12 2HD2 LEU 12 -0.452 -10.254 -17.719 346 3HD2 LEU 12 3HD2 LEU 12 0.398 -11.799 -17.679 347 H GLY 13 H GLY 13 0.128 -7.075 -14.607 348 1HA GLY 13 2HA GLY 13 -1.552 -5.997 -12.424 349 2HA GLY 13 1HA GLY 13 -0.591 -5.042 -13.554 350 H LYS 14 H LYS 14 -1.481 -4.539 -15.613 351 HA LYS 14 HA LYS 14 -4.027 -5.588 -16.501 352 1HB LYS 14 2HB LYS 14 -3.852 -3.190 -14.760 353 2HB LYS 14 1HB LYS 14 -4.940 -3.064 -16.144 354 1HG LYS 14 2HG LYS 14 -5.434 -5.610 -15.081 355 2HG LYS 14 1HG LYS 14 -5.283 -4.556 -13.674 356 1HD LYS 14 2HD LYS 14 -6.808 -2.959 -15.182 357 2HD LYS 14 1HD LYS 14 -7.301 -4.505 -15.873 358 1HE LYS 14 2HE LYS 14 -7.182 -4.576 -12.941 359 2HE LYS 14 1HE LYS 14 -8.358 -3.400 -13.561 360 1HZ LYS 14 1HZ LYS 14 -8.130 -6.104 -14.730 361 2HZ LYS 14 2HZ LYS 14 -9.428 -5.013 -14.827 362 3HZ LYS 14 3HZ LYS 14 -9.105 -5.826 -13.370 363 H LYS 15 H LYS 15 -3.453 -2.184 -16.862 364 HA LYS 15 HA LYS 15 -2.308 -2.674 -19.591 365 1HB LYS 15 2HB LYS 15 -4.401 -0.690 -18.643 366 2HB LYS 15 1HB LYS 15 -3.729 -0.724 -20.273 367 1HG LYS 15 2HG LYS 15 -4.453 -3.337 -19.961 368 2HG LYS 15 1HG LYS 15 -5.700 -2.527 -19.012 369 1HD LYS 15 2HD LYS 15 -5.848 -0.923 -21.087 370 2HD LYS 15 1HD LYS 15 -5.087 -2.266 -21.941 371 1HE LYS 15 2HE LYS 15 -6.913 -3.770 -21.020 372 2HE LYS 15 1HE LYS 15 -7.729 -2.300 -20.450 373 1HZ LYS 15 1HZ LYS 15 -8.540 -2.688 -22.619 374 2HZ LYS 15 2HZ LYS 15 -6.988 -3.005 -23.234 375 3HZ LYS 15 3HZ LYS 15 -7.416 -1.427 -22.771 376 HA PRO 16 HA PRO 16 0.788 0.062 -17.910 377 1HB PRO 16 2HB PRO 16 2.354 0.148 -20.153 378 2HB PRO 16 1HB PRO 16 2.345 -1.229 -19.033 379 1HG PRO 16 2HG PRO 16 0.996 -0.923 -21.665 380 2HG PRO 16 1HG PRO 16 1.778 -2.344 -20.955 381 1HD PRO 16 2HD PRO 16 -0.928 -1.975 -21.018 382 2HD PRO 16 1HD PRO 16 -0.091 -2.952 -19.791 383 H ILE 17 H ILE 17 -0.153 2.110 -17.746 384 HA ILE 17 HA ILE 17 -0.959 3.577 -20.182 385 HB ILE 17 HB ILE 17 -0.962 4.547 -17.337 386 1HG1 ILE 17 2HG1 ILE 17 -3.487 3.523 -17.779 387 2HG1 ILE 17 1HG1 ILE 17 -2.448 2.306 -18.520 388 1HG2 ILE 17 1HG2 ILE 17 -3.294 5.327 -18.537 389 2HG2 ILE 17 2HG2 ILE 17 -2.181 5.322 -19.905 390 3HG2 ILE 17 3HG2 ILE 17 -1.829 6.307 -18.484 391 1HD1 ILE 17 1HD1 ILE 17 -2.704 3.090 -15.667 392 2HD1 ILE 17 2HD1 ILE 17 -1.071 2.740 -16.234 393 3HD1 ILE 17 3HD1 ILE 17 -2.335 1.517 -16.374 394 H TYR 18 H TYR 18 -0.305 6.103 -19.894 395 HA TYR 18 HA TYR 18 2.406 6.556 -18.892 396 1HB TYR 18 2HB TYR 18 2.285 5.232 -21.238 397 2HB TYR 18 1HB TYR 18 2.170 6.884 -21.847 398 HD1 TYR 18 HD1 TYR 18 4.199 7.826 -22.467 399 HD2 TYR 18 HD2 TYR 18 4.087 5.103 -19.147 400 HE1 TYR 18 HE1 TYR 18 6.642 8.117 -22.145 401 HE2 TYR 18 HE2 TYR 18 6.529 5.394 -18.826 402 HH TYR 18 HH TYR 18 8.423 7.523 -20.975 403 H LYS 19 H LYS 19 1.083 8.292 -17.884 404 HA LYS 19 HA LYS 19 0.931 10.678 -19.647 405 1HB LYS 19 2HB LYS 19 -1.265 9.259 -19.484 406 2HB LYS 19 1HB LYS 19 -1.392 9.960 -17.871 407 1HG LYS 19 2HG LYS 19 -2.613 11.367 -19.443 408 2HG LYS 19 1HG LYS 19 -1.179 12.233 -18.889 409 1HD LYS 19 2HD LYS 19 -0.271 10.801 -21.098 410 2HD LYS 19 1HD LYS 19 -1.877 11.348 -21.582 411 1HE LYS 19 2HE LYS 19 -1.001 13.640 -20.482 412 2HE LYS 19 1HE LYS 19 0.562 12.957 -20.975 413 1HZ LYS 19 1HZ LYS 19 -0.400 14.162 -22.815 414 2HZ LYS 19 2HZ LYS 19 -1.843 13.274 -22.695 415 3HZ LYS 19 3HZ LYS 19 -0.405 12.504 -23.171 416 H LYS 20 H LYS 20 0.739 12.686 -18.347 417 HA LYS 20 HA LYS 20 0.669 12.860 -15.538 418 1HB LYS 20 2HB LYS 20 3.009 11.586 -16.574 419 2HB LYS 20 1HB LYS 20 3.497 13.139 -15.895 420 1HG LYS 20 2HG LYS 20 1.560 11.761 -14.200 421 2HG LYS 20 1HG LYS 20 3.021 10.806 -14.451 422 1HD LYS 20 2HD LYS 20 4.148 12.123 -13.020 423 2HD LYS 20 1HD LYS 20 3.788 13.532 -14.019 424 1HE LYS 20 2HE LYS 20 1.392 13.278 -12.824 425 2HE LYS 20 1HE LYS 20 2.409 12.562 -11.557 426 1HZ LYS 20 1HZ LYS 20 2.402 15.281 -12.611 427 2HZ LYS 20 2HZ LYS 20 3.924 14.610 -12.267 428 3HZ LYS 20 3HZ LYS 20 2.748 14.729 -11.046 429 H ALA 21 H ALA 21 0.654 15.038 -15.004 430 HA ALA 21 HA ALA 21 1.687 16.951 -17.075 431 1HB ALA 21 1HB ALA 21 -0.260 18.194 -15.462 432 2HB ALA 21 2HB ALA 21 -0.871 16.567 -15.758 433 3HB ALA 21 3HB ALA 21 -0.473 17.619 -17.115 434 HA PRO 22 HA PRO 22 4.220 17.940 -13.471 435 1HB PRO 22 2HB PRO 22 6.100 19.331 -14.893 436 2HB PRO 22 1HB PRO 22 6.089 17.559 -14.779 437 1HG PRO 22 2HG PRO 22 5.154 19.320 -16.986 438 2HG PRO 22 1HG PRO 22 5.985 17.758 -17.061 439 1HD PRO 22 2HD PRO 22 3.297 18.071 -17.456 440 2HD PRO 22 1HD PRO 22 4.042 16.570 -16.863 441 H THR 23 H THR 23 5.400 20.352 -13.160 442 HA THR 23 HA THR 23 3.783 22.569 -14.121 443 HB THR 23 HB THR 23 3.599 21.892 -11.182 444 HG1 THR 23 HG1 THR 23 1.830 20.729 -11.582 445 1HG2 THR 23 1HG2 THR 23 2.882 24.074 -11.404 446 2HG2 THR 23 2HG2 THR 23 1.367 23.236 -11.740 447 3HG2 THR 23 3HG2 THR 23 2.354 23.842 -13.070 448 H ASN 24 H ASN 24 4.388 24.598 -12.639 449 HA ASN 24 HA ASN 24 7.058 25.256 -12.872 450 1HB ASN 24 2HB ASN 24 4.734 26.248 -11.616 451 2HB ASN 24 1HB ASN 24 5.991 26.275 -10.377 452 1HD2 ASN 24 1HD2 ASN 24 5.794 28.727 -10.672 453 2HD2 ASN 24 2HD2 ASN 24 6.681 29.451 -11.925 454 H GLU 25 H GLU 25 8.761 25.459 -11.132 455 HA GLU 25 HA GLU 25 8.594 23.537 -8.892 456 1HB GLU 25 2HB GLU 25 10.469 22.209 -9.723 457 2HB GLU 25 1HB GLU 25 9.209 22.250 -10.957 458 1HG GLU 25 2HG GLU 25 10.548 24.400 -11.764 459 2HG GLU 25 1HG GLU 25 11.880 23.597 -10.931 460 H PHE 26 H PHE 26 11.641 23.511 -8.959 461 HA PHE 26 HA PHE 26 12.569 26.242 -8.745 462 1HB PHE 26 2HB PHE 26 10.996 25.172 -6.614 463 2HB PHE 26 1HB PHE 26 12.654 25.325 -6.030 464 HD1 PHE 26 HD1 PHE 26 9.968 26.998 -5.456 465 HD2 PHE 26 HD2 PHE 26 13.517 27.636 -7.790 466 HE1 PHE 26 HE1 PHE 26 9.668 29.449 -5.241 467 HE2 PHE 26 HE2 PHE 26 13.217 30.089 -7.575 468 HZ PHE 26 HZ PHE 26 11.293 30.996 -6.299 469 H TYR 27 H TYR 27 14.825 26.249 -8.531 470 HA TYR 27 HA TYR 27 16.130 23.574 -8.396 471 1HB TYR 27 2HB TYR 27 16.523 26.138 -9.747 472 2HB TYR 27 1HB TYR 27 18.013 25.535 -9.021 473 HD1 TYR 27 HD1 TYR 27 16.660 25.668 -12.045 474 HD2 TYR 27 HD2 TYR 27 17.725 22.634 -9.198 475 HE1 TYR 27 HE1 TYR 27 16.896 24.024 -13.886 476 HE2 TYR 27 HE2 TYR 27 17.960 20.989 -11.040 477 HH TYR 27 HH TYR 27 18.155 21.864 -14.270 478 H ALA 28 HN ALA 28 18.658 24.299 -7.542 479 HA ALA 28 HA ALA 28 18.866 25.982 -5.268 480 1HB ALA 28 1HB ALA 28 18.724 23.643 -3.778 481 2HB ALA 28 2HB ALA 28 17.398 23.466 -4.926 482 3HB ALA 28 3HB ALA 28 17.465 24.874 -3.865 Start of MODEL 13 1 1H ARG 1 1HT ARG 1 -20.251 -5.228 -21.650 2 2H ARG 1 2HT ARG 1 -20.739 -4.679 -20.118 3 3H ARG 1 3HT ARG 1 -21.676 -5.825 -20.950 4 HA ARG 1 HA ARG 1 -18.890 -6.532 -20.382 5 1HB ARG 1 2HB ARG 1 -19.680 -7.214 -18.073 6 2HB ARG 1 1HB ARG 1 -19.590 -5.470 -18.321 7 1HG ARG 1 2HG ARG 1 -22.169 -6.331 -19.183 8 2HG ARG 1 1HG ARG 1 -21.873 -7.036 -17.594 9 1HD ARG 1 2HD ARG 1 -21.281 -4.119 -18.119 10 2HD ARG 1 1HD ARG 1 -22.903 -4.659 -17.645 11 HE ARG 1 HE ARG 1 -20.458 -4.877 -15.977 12 1HH1 ARG 1 1HH1 ARG 1 -21.921 -7.376 -15.563 13 2HH1 ARG 1 2HH1 ARG 1 -23.076 -6.970 -14.338 14 1HH2 ARG 1 1HH2 ARG 1 -22.759 -3.548 -14.802 15 2HH2 ARG 1 2HH2 ARG 1 -23.550 -4.802 -13.907 16 H MET 2 H MET 2 -21.009 -7.292 -22.323 17 HA MET 2 HA MET 2 -22.231 -9.777 -21.422 18 1HB MET 2 2HB MET 2 -22.885 -8.077 -23.292 19 2HB MET 2 1HB MET 2 -21.722 -8.960 -24.280 20 1HG MET 2 2HG MET 2 -23.599 -10.211 -24.746 21 2HG MET 2 1HG MET 2 -23.061 -11.057 -23.295 22 1HE MET 2 1HE MET 2 -26.344 -8.951 -24.681 23 2HE MET 2 2HE MET 2 -26.956 -10.441 -23.968 24 3HE MET 2 3HE MET 2 -25.554 -10.495 -25.033 25 H LYS 3 H LYS 3 -21.529 -11.902 -21.893 26 HA LYS 3 HA LYS 3 -18.750 -12.142 -23.004 27 1HB LYS 3 2HB LYS 3 -19.695 -12.651 -20.433 28 2HB LYS 3 1HB LYS 3 -19.643 -14.249 -21.178 29 1HG LYS 3 2HG LYS 3 -17.349 -14.190 -21.478 30 2HG LYS 3 1HG LYS 3 -17.304 -12.430 -21.583 31 1HD LYS 3 2HD LYS 3 -18.277 -13.305 -18.986 32 2HD LYS 3 1HD LYS 3 -16.681 -13.973 -19.333 33 1HE LYS 3 2HE LYS 3 -15.676 -11.869 -19.457 34 2HE LYS 3 1HE LYS 3 -17.198 -11.059 -19.884 35 1HZ LYS 3 1HZ LYS 3 -17.916 -12.043 -17.575 36 2HZ LYS 3 2HZ LYS 3 -17.100 -10.557 -17.673 37 3HZ LYS 3 3HZ LYS 3 -16.251 -11.970 -17.263 38 H LYS 4 H LYS 4 -18.377 -13.979 -24.351 39 HA LYS 4 HA LYS 4 -20.584 -15.877 -24.865 40 1HB LYS 4 2HB LYS 4 -20.564 -13.510 -26.216 41 2HB LYS 4 1HB LYS 4 -19.572 -14.499 -27.289 42 1HG LYS 4 2HG LYS 4 -21.424 -16.277 -27.073 43 2HG LYS 4 1HG LYS 4 -22.418 -14.984 -26.401 44 1HD LYS 4 2HD LYS 4 -21.196 -13.906 -28.709 45 2HD LYS 4 1HD LYS 4 -21.770 -15.510 -29.164 46 1HE LYS 4 2HE LYS 4 -24.021 -14.991 -28.426 47 2HE LYS 4 1HE LYS 4 -23.484 -13.444 -27.742 48 1HZ LYS 4 1HZ LYS 4 -22.512 -13.155 -30.144 49 2HZ LYS 4 2HZ LYS 4 -24.129 -12.756 -29.807 50 3HZ LYS 4 3HZ LYS 4 -23.753 -14.236 -30.552 51 H LYS 5 H LYS 5 -17.913 -16.251 -23.868 52 HA LYS 5 HA LYS 5 -16.940 -18.224 -25.802 53 1HB LYS 5 2HB LYS 5 -15.677 -15.533 -25.393 54 2HB LYS 5 1HB LYS 5 -14.630 -16.917 -25.706 55 1HG LYS 5 2HG LYS 5 -16.555 -17.294 -27.603 56 2HG LYS 5 1HG LYS 5 -16.512 -15.533 -27.516 57 1HD LYS 5 2HD LYS 5 -13.839 -16.151 -27.492 58 2HD LYS 5 1HD LYS 5 -14.486 -17.411 -28.543 59 1HE LYS 5 2HE LYS 5 -15.676 -14.816 -29.150 60 2HE LYS 5 1HE LYS 5 -13.909 -14.787 -29.316 61 1HZ LYS 5 1HZ LYS 5 -14.500 -15.706 -31.316 62 2HZ LYS 5 2HZ LYS 5 -15.876 -16.481 -30.692 63 3HZ LYS 5 3HZ LYS 5 -14.330 -17.116 -30.387 64 H ASP 6 H ASP 6 -14.962 -19.356 -24.886 65 HA ASP 6 HA ASP 6 -15.241 -19.615 -21.954 66 1HB ASP 6 2HB ASP 6 -13.812 -21.101 -24.169 67 2HB ASP 6 1HB ASP 6 -13.598 -21.530 -22.471 68 H GLU 7 H GLU 7 -13.008 -19.992 -20.789 69 HA GLU 7 HA GLU 7 -10.788 -18.347 -21.821 70 1HB GLU 7 2HB GLU 7 -12.529 -17.586 -19.459 71 2HB GLU 7 1HB GLU 7 -10.943 -16.872 -19.755 72 1HG GLU 7 2HG GLU 7 -11.768 -16.244 -22.067 73 2HG GLU 7 1HG GLU 7 -13.379 -16.739 -21.548 74 H GLY 8 H GLY 8 -8.984 -19.477 -21.225 75 1HA GLY 8 2HA GLY 8 -9.139 -21.433 -19.033 76 2HA GLY 8 1HA GLY 8 -7.768 -21.201 -20.120 77 H SER 9 H SER 9 -6.174 -19.670 -19.568 78 HA SER 9 HA SER 9 -5.850 -19.098 -16.768 79 1HB SER 9 2HB SER 9 -4.372 -17.693 -18.972 80 2HB SER 9 1HB SER 9 -3.748 -18.340 -17.457 81 HG SER 9 HG SER 9 -4.313 -19.613 -19.874 82 H TYR 10 H TYR 10 -4.719 -16.344 -17.432 83 HA TYR 10 HA TYR 10 -7.296 -14.820 -17.601 84 1HB TYR 10 2HB TYR 10 -4.987 -14.359 -15.683 85 2HB TYR 10 1HB TYR 10 -6.516 -13.478 -15.709 86 HD1 TYR 10 HD1 TYR 10 -8.303 -14.223 -14.393 87 HD2 TYR 10 HD2 TYR 10 -5.158 -16.961 -15.424 88 HE1 TYR 10 HE1 TYR 10 -9.323 -15.947 -12.930 89 HE2 TYR 10 HE2 TYR 10 -6.177 -18.684 -13.961 90 HH TYR 10 HH TYR 10 -7.907 -18.386 -11.703 91 H ASP 11 H ASP 11 -7.132 -12.884 -18.764 92 HA ASP 11 HA ASP 11 -4.894 -12.521 -20.533 93 1HB ASP 11 2HB ASP 11 -7.381 -11.920 -20.799 94 2HB ASP 11 1HB ASP 11 -7.021 -10.495 -19.824 95 H LEU 12 H LEU 12 -3.696 -10.362 -20.635 96 HA LEU 12 HA LEU 12 -3.458 -8.625 -18.389 97 1HB LEU 12 2HB LEU 12 -1.298 -9.587 -17.498 98 2HB LEU 12 1HB LEU 12 -2.704 -10.616 -17.224 99 HG LEU 12 HG LEU 12 -1.960 -11.566 -19.627 100 1HD1 LEU 12 1HD1 LEU 12 0.411 -11.583 -19.912 101 2HD1 LEU 12 2HD1 LEU 12 0.681 -10.892 -18.311 102 3HD1 LEU 12 3HD1 LEU 12 -0.015 -9.902 -19.594 103 1HD2 LEU 12 1HD2 LEU 12 -0.654 -12.346 -16.998 104 2HD2 LEU 12 2HD2 LEU 12 -0.835 -13.383 -18.413 105 3HD2 LEU 12 3HD2 LEU 12 -2.261 -12.854 -17.519 106 H GLY 13 H GLY 13 -1.787 -7.032 -18.738 107 1HA GLY 13 2HA GLY 13 -0.483 -7.239 -21.424 108 2HA GLY 13 1HA GLY 13 -1.052 -5.716 -20.739 109 H LYS 14 H LYS 14 -0.046 -5.298 -18.441 110 HA LYS 14 HA LYS 14 2.572 -6.394 -17.905 111 1HB LYS 14 2HB LYS 14 2.207 -4.021 -19.652 112 2HB LYS 14 1HB LYS 14 3.486 -3.902 -18.443 113 1HG LYS 14 2HG LYS 14 3.976 -6.394 -19.372 114 2HG LYS 14 1HG LYS 14 3.293 -5.665 -20.826 115 1HD LYS 14 2HD LYS 14 4.978 -3.681 -19.949 116 2HD LYS 14 1HD LYS 14 5.867 -5.135 -19.495 117 1HE LYS 14 2HE LYS 14 6.535 -4.600 -21.753 118 2HE LYS 14 1HE LYS 14 5.425 -5.978 -21.880 119 1HZ LYS 14 1HZ LYS 14 4.659 -3.115 -22.112 120 2HZ LYS 14 2HZ LYS 14 3.597 -4.436 -22.217 121 3HZ LYS 14 3HZ LYS 14 4.787 -4.204 -23.407 122 H LYS 15 H LYS 15 2.141 -2.971 -17.537 123 HA LYS 15 HA LYS 15 0.888 -3.170 -14.881 124 1HB LYS 15 2HB LYS 15 3.817 -2.572 -15.353 125 2HB LYS 15 1HB LYS 15 2.991 -2.093 -13.869 126 1HG LYS 15 2HG LYS 15 2.238 -4.544 -13.691 127 2HG LYS 15 1HG LYS 15 3.447 -4.884 -14.930 128 1HD LYS 15 2HD LYS 15 4.586 -3.201 -12.876 129 2HD LYS 15 1HD LYS 15 3.880 -4.647 -12.151 130 1HE LYS 15 2HE LYS 15 6.216 -5.098 -12.787 131 2HE LYS 15 1HE LYS 15 5.132 -6.037 -13.833 132 1HZ LYS 15 1HZ LYS 15 6.771 -4.836 -15.151 133 2HZ LYS 15 2HZ LYS 15 6.269 -3.363 -14.468 134 3HZ LYS 15 3HZ LYS 15 5.210 -4.249 -15.460 135 HA PRO 16 HA PRO 16 -0.311 0.884 -16.136 136 1HB PRO 16 2HB PRO 16 -1.129 1.837 -13.704 137 2HB PRO 16 1HB PRO 16 -2.071 0.670 -14.654 138 1HG PRO 16 2HG PRO 16 -0.271 0.197 -12.326 139 2HG PRO 16 1HG PRO 16 -1.836 -0.537 -12.708 140 1HD PRO 16 2HD PRO 16 0.527 -1.795 -13.148 141 2HD PRO 16 1HD PRO 16 -0.916 -2.070 -14.149 142 H ILE 17 H ILE 17 1.379 2.195 -16.667 143 HA ILE 17 HA ILE 17 3.227 3.124 -14.518 144 HB ILE 17 HB ILE 17 4.509 3.851 -16.704 145 1HG1 ILE 17 2HG1 ILE 17 3.024 1.528 -17.887 146 2HG1 ILE 17 1HG1 ILE 17 2.329 3.143 -18.019 147 1HG2 ILE 17 1HG2 ILE 17 5.337 2.136 -15.207 148 2HG2 ILE 17 2HG2 ILE 17 5.457 1.532 -16.859 149 3HG2 ILE 17 3HG2 ILE 17 4.151 0.980 -15.812 150 1HD1 ILE 17 1HD1 ILE 17 3.937 3.861 -19.471 151 2HD1 ILE 17 2HD1 ILE 17 4.106 2.137 -19.802 152 3HD1 ILE 17 3HD1 ILE 17 5.209 2.932 -18.679 153 H TYR 18 H TYR 18 3.815 5.449 -14.568 154 HA TYR 18 HA TYR 18 1.672 7.149 -15.804 155 1HB TYR 18 2HB TYR 18 2.188 6.615 -13.114 156 2HB TYR 18 1HB TYR 18 2.926 8.194 -13.380 157 HD1 TYR 18 HD1 TYR 18 1.397 9.673 -12.332 158 HD2 TYR 18 HD2 TYR 18 -0.035 6.731 -15.117 159 HE1 TYR 18 HE1 TYR 18 -0.847 10.730 -12.296 160 HE2 TYR 18 HE2 TYR 18 -2.278 7.789 -15.080 161 HH TYR 18 HH TYR 18 -2.834 10.865 -13.596 162 H LYS 19 H LYS 19 2.903 7.918 -17.557 163 HA LYS 19 HA LYS 19 5.045 9.839 -16.871 164 1HB LYS 19 2HB LYS 19 6.244 7.739 -17.104 165 2HB LYS 19 1HB LYS 19 5.403 7.379 -18.612 166 1HG LYS 19 2HG LYS 19 7.330 8.268 -19.502 167 2HG LYS 19 1HG LYS 19 6.427 9.767 -19.283 168 1HD LYS 19 2HD LYS 19 8.065 10.504 -17.928 169 2HD LYS 19 1HD LYS 19 7.657 9.214 -16.796 170 1HE LYS 19 2HE LYS 19 9.294 8.388 -19.137 171 2HE LYS 19 1HE LYS 19 10.105 9.418 -17.941 172 1HZ LYS 19 1HZ LYS 19 9.901 6.829 -17.585 173 2HZ LYS 19 2HZ LYS 19 8.384 7.265 -16.958 174 3HZ LYS 19 3HZ LYS 19 9.803 7.909 -16.281 175 H LYS 20 H LYS 20 4.920 11.581 -18.263 176 HA LYS 20 HA LYS 20 4.333 11.516 -21.027 177 1HB LYS 20 2HB LYS 20 2.119 10.935 -19.344 178 2HB LYS 20 1HB LYS 20 1.843 12.546 -20.009 179 1HG LYS 20 2HG LYS 20 2.794 11.131 -22.192 180 2HG LYS 20 1HG LYS 20 1.791 9.944 -21.356 181 1HD LYS 20 2HD LYS 20 -0.010 10.936 -22.279 182 2HD LYS 20 1HD LYS 20 0.321 12.335 -21.258 183 1HE LYS 20 2HE LYS 20 1.898 13.178 -23.043 184 2HE LYS 20 1HE LYS 20 1.325 11.861 -24.084 185 1HZ LYS 20 1HZ LYS 20 -0.994 12.715 -23.322 186 2HZ LYS 20 2HZ LYS 20 -0.179 13.506 -24.585 187 3HZ LYS 20 3HZ LYS 20 -0.165 14.162 -23.018 188 H ALA 21 H ALA 21 6.103 13.059 -19.683 189 HA ALA 21 HA ALA 21 5.227 15.778 -20.295 190 1HB ALA 21 1HB ALA 21 6.040 15.461 -17.450 191 2HB ALA 21 2HB ALA 21 4.440 14.853 -17.875 192 3HB ALA 21 3HB ALA 21 4.843 16.546 -18.161 193 HA PRO 22 HA PRO 22 9.580 16.178 -20.737 194 1HB PRO 22 2HB PRO 22 9.852 18.889 -20.487 195 2HB PRO 22 1HB PRO 22 9.152 18.117 -21.924 196 1HG PRO 22 2HG PRO 22 7.791 19.453 -19.643 197 2HG PRO 22 1HG PRO 22 7.386 19.469 -21.366 198 1HD PRO 22 2HD PRO 22 6.090 17.930 -19.514 199 2HD PRO 22 1HD PRO 22 6.208 17.515 -21.239 200 H THR 23 H THR 23 10.037 15.084 -18.647 201 HA THR 23 HA THR 23 10.022 16.060 -16.074 202 HB THR 23 HB THR 23 12.588 14.853 -16.939 203 HG1 THR 23 HG1 THR 23 10.126 13.507 -17.335 204 1HG2 THR 23 1HG2 THR 23 11.745 13.122 -15.256 205 2HG2 THR 23 2HG2 THR 23 10.386 14.209 -14.972 206 3HG2 THR 23 3HG2 THR 23 12.031 14.744 -14.625 207 H ASN 24 H ASN 24 10.759 17.954 -15.201 208 HA ASN 24 HA ASN 24 13.406 18.945 -15.413 209 1HB ASN 24 2HB ASN 24 11.746 19.369 -17.720 210 2HB ASN 24 1HB ASN 24 12.099 20.933 -16.984 211 1HD2 ASN 24 1HD2 ASN 24 14.351 21.623 -16.888 212 2HD2 ASN 24 2HD2 ASN 24 15.559 20.835 -17.784 213 H GLU 25 H GLU 25 11.344 18.742 -13.418 214 HA GLU 25 HA GLU 25 10.312 21.465 -12.938 215 1HB GLU 25 2HB GLU 25 9.333 19.034 -12.442 216 2HB GLU 25 1HB GLU 25 10.232 19.237 -10.938 217 1HG GLU 25 2HG GLU 25 8.904 21.690 -11.385 218 2HG GLU 25 1HG GLU 25 7.717 20.426 -11.712 219 H PHE 26 H PHE 26 10.599 21.402 -10.072 220 HA PHE 26 HA PHE 26 13.543 21.462 -9.615 221 1HB PHE 26 2HB PHE 26 13.086 23.677 -10.380 222 2HB PHE 26 1HB PHE 26 11.583 23.762 -9.460 223 HD1 PHE 26 HD1 PHE 26 15.281 23.753 -9.210 224 HD2 PHE 26 HD2 PHE 26 11.573 24.307 -7.114 225 HE1 PHE 26 HE1 PHE 26 16.515 24.705 -7.281 226 HE2 PHE 26 HE2 PHE 26 12.807 25.259 -5.185 227 HZ PHE 26 HZ PHE 26 15.277 25.459 -5.269 228 H TYR 27 H TYR 27 14.072 21.463 -7.320 229 HA TYR 27 HA TYR 27 12.001 21.454 -5.277 230 1HB TYR 27 2HB TYR 27 12.345 18.975 -4.788 231 2HB TYR 27 1HB TYR 27 11.461 19.330 -6.272 232 HD1 TYR 27 HD1 TYR 27 12.582 19.149 -8.480 233 HD2 TYR 27 HD2 TYR 27 14.551 17.999 -4.841 234 HE1 TYR 27 HE1 TYR 27 14.287 17.918 -9.793 235 HE2 TYR 27 HE2 TYR 27 16.258 16.767 -6.154 236 HH TYR 27 HH TYR 27 15.999 15.692 -8.951 237 H ALA 28 HN ALA 28 12.946 21.420 -3.174 238 HA ALA 28 HA ALA 28 15.906 21.743 -3.148 239 1HB ALA 28 1HB ALA 28 14.613 22.243 -0.634 240 2HB ALA 28 2HB ALA 28 13.642 22.968 -1.914 241 3HB ALA 28 3HB ALA 28 15.340 23.412 -1.736 242 1H ARG 1 1HT ARG 1 16.596 -12.805 -11.444 243 2H ARG 1 2HT ARG 1 17.229 -12.704 -13.018 244 3H ARG 1 3HT ARG 1 17.615 -14.029 -12.028 245 HA ARG 1 HA ARG 1 14.777 -13.553 -12.581 246 1HB ARG 1 2HB ARG 1 15.139 -14.779 -14.768 247 2HB ARG 1 1HB ARG 1 15.805 -13.145 -14.735 248 1HG ARG 1 2HG ARG 1 17.798 -14.906 -13.707 249 2HG ARG 1 1HG ARG 1 17.187 -15.606 -15.207 250 1HD ARG 1 2HD ARG 1 17.902 -12.672 -15.055 251 2HD ARG 1 1HD ARG 1 19.130 -13.903 -15.417 252 HE ARG 1 HE ARG 1 16.777 -13.265 -17.110 253 1HH1 ARG 1 1HH1 ARG 1 17.031 -16.177 -17.179 254 2HH1 ARG 1 2HH1 ARG 1 18.215 -16.450 -18.414 255 1HH2 ARG 1 1HH2 ARG 1 19.391 -13.189 -18.376 256 2HH2 ARG 1 2HH2 ARG 1 19.552 -14.758 -19.091 257 H MET 2 H MET 2 16.427 -14.897 -10.506 258 HA MET 2 HA MET 2 16.456 -17.754 -11.066 259 1HB MET 2 2HB MET 2 17.821 -16.280 -9.400 260 2HB MET 2 1HB MET 2 16.420 -16.459 -8.343 261 1HG MET 2 2HG MET 2 17.602 -18.322 -7.679 262 2HG MET 2 1HG MET 2 16.716 -19.029 -9.030 263 1HE MET 2 1HE MET 2 20.619 -18.362 -7.823 264 2HE MET 2 2HE MET 2 20.522 -20.045 -8.334 265 3HE MET 2 3HE MET 2 19.259 -19.370 -7.308 266 H LYS 3 H LYS 3 14.932 -19.307 -10.360 267 HA LYS 3 HA LYS 3 12.345 -18.211 -9.303 268 1HB LYS 3 2HB LYS 3 12.915 -19.380 -11.767 269 2HB LYS 3 1HB LYS 3 12.211 -20.701 -10.835 270 1HG LYS 3 2HG LYS 3 10.167 -19.640 -10.606 271 2HG LYS 3 1HG LYS 3 10.875 -18.028 -10.716 272 1HD LYS 3 2HD LYS 3 11.314 -19.541 -13.162 273 2HD LYS 3 1HD LYS 3 9.596 -19.423 -12.780 274 1HE LYS 3 2HE LYS 3 9.581 -17.093 -12.938 275 2HE LYS 3 1HE LYS 3 11.313 -16.959 -12.571 276 1HZ LYS 3 1HZ LYS 3 11.483 -18.427 -14.724 277 2HZ LYS 3 2HZ LYS 3 11.377 -16.734 -14.829 278 3HZ LYS 3 3HZ LYS 3 9.998 -17.692 -15.088 279 H LYS 4 H LYS 4 11.267 -19.539 -7.755 280 HA LYS 4 HA LYS 4 12.474 -22.115 -6.955 281 1HB LYS 4 2HB LYS 4 13.496 -19.819 -5.901 282 2HB LYS 4 1HB LYS 4 12.209 -20.157 -4.743 283 1HG LYS 4 2HG LYS 4 13.126 -22.564 -4.692 284 2HG LYS 4 1HG LYS 4 14.555 -21.904 -5.489 285 1HD LYS 4 2HD LYS 4 13.969 -20.139 -3.363 286 2HD LYS 4 1HD LYS 4 13.821 -21.768 -2.701 287 1HE LYS 4 2HE LYS 4 16.060 -22.346 -3.437 288 2HE LYS 4 1HE LYS 4 16.210 -20.812 -4.319 289 1HZ LYS 4 1HZ LYS 4 15.518 -19.849 -1.995 290 2HZ LYS 4 2HZ LYS 4 17.142 -20.217 -2.334 291 3HZ LYS 4 3HZ LYS 4 16.195 -21.297 -1.425 292 H LYS 5 H LYS 5 9.869 -21.440 -7.969 293 HA LYS 5 HA LYS 5 8.206 -22.565 -5.838 294 1HB LYS 5 2HB LYS 5 8.192 -19.664 -6.604 295 2HB LYS 5 1HB LYS 5 6.665 -20.424 -6.153 296 1HG LYS 5 2HG LYS 5 8.301 -21.349 -4.174 297 2HG LYS 5 1HG LYS 5 9.006 -19.761 -4.474 298 1HD LYS 5 2HD LYS 5 6.323 -19.184 -4.495 299 2HD LYS 5 1HD LYS 5 6.405 -20.463 -3.282 300 1HE LYS 5 2HE LYS 5 8.597 -18.564 -2.961 301 2HE LYS 5 1HE LYS 5 7.014 -17.770 -2.847 302 1HZ LYS 5 1HZ LYS 5 7.214 -18.604 -0.736 303 2HZ LYS 5 2HZ LYS 5 8.115 -19.957 -1.225 304 3HZ LYS 5 3HZ LYS 5 6.439 -19.908 -1.492 305 H ASP 6 H ASP 6 5.911 -22.853 -6.662 306 HA ASP 6 HA ASP 6 5.973 -23.558 -9.532 307 1HB ASP 6 2HB ASP 6 4.110 -24.020 -7.193 308 2HB ASP 6 1HB ASP 6 3.688 -24.520 -8.831 309 H GLU 7 H GLU 7 3.759 -23.092 -10.702 310 HA GLU 7 HA GLU 7 2.474 -20.550 -9.937 311 1HB GLU 7 2HB GLU 7 4.309 -20.891 -12.326 312 2HB GLU 7 1HB GLU 7 3.184 -19.542 -12.161 313 1HG GLU 7 2HG GLU 7 4.260 -19.047 -9.921 314 2HG GLU 7 1HG GLU 7 5.495 -20.238 -10.334 315 H GLY 8 H GLY 8 0.346 -20.873 -10.439 316 1HA GLY 8 2HA GLY 8 -0.402 -22.960 -12.373 317 2HA GLY 8 1HA GLY 8 -1.515 -22.039 -11.360 318 H SER 9 H SER 9 -2.326 -20.056 -12.135 319 HA SER 9 HA SER 9 -2.453 -19.744 -14.991 320 1HB SER 9 2HB SER 9 -3.135 -17.589 -13.015 321 2HB SER 9 1HB SER 9 -4.016 -18.088 -14.456 322 HG SER 9 HG SER 9 -3.977 -19.178 -11.888 323 H TYR 10 H TYR 10 -2.292 -16.712 -14.697 324 HA TYR 10 HA TYR 10 0.692 -16.415 -14.645 325 1HB TYR 10 2HB TYR 10 -1.255 -15.255 -16.666 326 2HB TYR 10 1HB TYR 10 0.502 -15.109 -16.706 327 HD1 TYR 10 HD1 TYR 10 1.770 -16.695 -17.873 328 HD2 TYR 10 HD2 TYR 10 -2.210 -17.694 -16.602 329 HE1 TYR 10 HE1 TYR 10 1.922 -18.851 -19.090 330 HE2 TYR 10 HE2 TYR 10 -2.058 -19.850 -17.819 331 HH TYR 10 HH TYR 10 -0.428 -20.589 -20.049 332 H ASP 11 H ASP 11 1.395 -14.467 -13.730 333 HA ASP 11 HA ASP 11 -0.429 -12.980 -12.079 334 1HB ASP 11 2HB ASP 11 2.086 -13.461 -11.820 335 2HB ASP 11 1HB ASP 11 2.337 -12.148 -12.971 336 H LEU 12 H LEU 12 -0.595 -10.521 -12.270 337 HA LEU 12 HA LEU 12 -0.136 -9.134 -14.717 338 1HB LEU 12 2HB LEU 12 -2.524 -9.188 -15.543 339 2HB LEU 12 1HB LEU 12 -1.695 -10.742 -15.652 340 HG LEU 12 HG LEU 12 -2.706 -10.988 -13.172 341 1HD1 LEU 12 1HD1 LEU 12 -4.851 -9.964 -12.950 342 2HD1 LEU 12 2HD1 LEU 12 -4.845 -9.424 -14.629 343 3HD1 LEU 12 3HD1 LEU 12 -3.761 -8.674 -13.458 344 1HD2 LEU 12 1HD2 LEU 12 -4.289 -11.452 -15.721 345 2HD2 LEU 12 2HD2 LEU 12 -4.526 -12.288 -14.187 346 3HD2 LEU 12 3HD2 LEU 12 -3.036 -12.526 -15.099 347 H GLY 13 H GLY 13 -0.965 -6.953 -14.607 348 1HA GLY 13 2HA GLY 13 -2.160 -6.260 -11.952 349 2HA GLY 13 1HA GLY 13 -1.017 -5.218 -12.801 350 H LYS 14 H LYS 14 -1.814 -4.695 -15.159 351 HA LYS 14 HA LYS 14 -4.663 -4.633 -15.628 352 1HB LYS 14 2HB LYS 14 -3.279 -2.446 -14.173 353 2HB LYS 14 1HB LYS 14 -4.420 -1.945 -15.421 354 1HG LYS 14 2HG LYS 14 -5.895 -3.860 -14.211 355 2HG LYS 14 1HG LYS 14 -4.928 -3.320 -12.837 356 1HD LYS 14 2HD LYS 14 -5.635 -0.931 -13.993 357 2HD LYS 14 1HD LYS 14 -7.070 -1.914 -14.291 358 1HE LYS 14 2HE LYS 14 -7.387 -0.877 -12.134 359 2HE LYS 14 1HE LYS 14 -6.962 -2.570 -11.810 360 1HZ LYS 14 1HZ LYS 14 -5.049 -0.295 -11.906 361 2HZ LYS 14 2HZ LYS 14 -4.643 -1.920 -11.614 362 3HZ LYS 14 3HZ LYS 14 -5.590 -1.063 -10.494 363 H LYS 15 H LYS 15 -2.833 -1.788 -16.397 364 HA LYS 15 HA LYS 15 -1.855 -2.819 -18.974 365 1HB LYS 15 2HB LYS 15 -4.241 -0.984 -18.657 366 2HB LYS 15 1HB LYS 15 -3.331 -1.084 -20.165 367 1HG LYS 15 2HG LYS 15 -3.693 -3.624 -20.024 368 2HG LYS 15 1HG LYS 15 -4.898 -3.267 -18.786 369 1HD LYS 15 2HD LYS 15 -5.272 -1.522 -21.060 370 2HD LYS 15 1HD LYS 15 -5.265 -3.207 -21.584 371 1HE LYS 15 2HE LYS 15 -7.554 -2.545 -20.961 372 2HE LYS 15 1HE LYS 15 -6.942 -3.720 -19.780 373 1HZ LYS 15 1HZ LYS 15 -7.881 -1.788 -18.662 374 2HZ LYS 15 2HZ LYS 15 -6.820 -0.763 -19.504 375 3HZ LYS 15 3HZ LYS 15 -6.210 -1.886 -18.385 376 HA PRO 16 HA PRO 16 0.982 0.464 -18.189 377 1HB PRO 16 2HB PRO 16 2.060 0.679 -20.697 378 2HB PRO 16 1HB PRO 16 2.444 -0.653 -19.586 379 1HG PRO 16 2HG PRO 16 0.550 -0.596 -21.888 380 2HG PRO 16 1HG PRO 16 1.667 -1.872 -21.377 381 1HD PRO 16 2HD PRO 16 -0.993 -1.948 -20.851 382 2HD PRO 16 1HD PRO 16 0.224 -2.685 -19.786 383 H ILE 17 H ILE 17 0.021 2.422 -17.866 384 HA ILE 17 HA ILE 17 -1.316 3.778 -20.161 385 HB ILE 17 HB ILE 17 -2.109 5.239 -18.113 386 1HG1 ILE 17 2HG1 ILE 17 -1.716 2.667 -16.619 387 2HG1 ILE 17 1HG1 ILE 17 -0.399 3.838 -16.665 388 1HG2 ILE 17 1HG2 ILE 17 -3.626 3.870 -19.414 389 2HG2 ILE 17 2HG2 ILE 17 -3.946 3.577 -17.704 390 3HG2 ILE 17 3HG2 ILE 17 -3.025 2.401 -18.642 391 1HD1 ILE 17 1HD1 ILE 17 -1.511 5.341 -15.355 392 2HD1 ILE 17 2HD1 ILE 17 -2.386 3.905 -14.821 393 3HD1 ILE 17 3HD1 ILE 17 -3.079 4.950 -16.062 394 H TYR 18 H TYR 18 -0.862 6.120 -20.409 395 HA TYR 18 HA TYR 18 1.832 6.888 -19.331 396 1HB TYR 18 2HB TYR 18 1.065 6.301 -21.950 397 2HB TYR 18 1HB TYR 18 1.074 8.065 -21.896 398 HD1 TYR 18 HD1 TYR 18 3.057 8.616 -23.075 399 HD2 TYR 18 HD2 TYR 18 3.182 5.707 -19.916 400 HE1 TYR 18 HE1 TYR 18 5.534 8.610 -23.179 401 HE2 TYR 18 HE2 TYR 18 5.659 5.701 -20.021 402 HH TYR 18 HH TYR 18 7.426 8.047 -21.852 403 H LYS 19 H LYS 19 1.092 8.313 -17.718 404 HA LYS 19 HA LYS 19 -0.053 10.861 -18.688 405 1HB LYS 19 2HB LYS 19 -2.022 9.513 -18.236 406 2HB LYS 19 1HB LYS 19 -1.372 9.015 -16.674 407 1HG LYS 19 2HG LYS 19 -2.715 10.737 -15.948 408 2HG LYS 19 1HG LYS 19 -1.268 11.674 -16.324 409 1HD LYS 19 2HD LYS 19 -2.476 12.866 -17.801 410 2HD LYS 19 1HD LYS 19 -2.684 11.399 -18.758 411 1HE LYS 19 2HE LYS 19 -4.452 11.633 -16.378 412 2HE LYS 19 1HE LYS 19 -4.784 12.758 -17.711 413 1HZ LYS 19 1HZ LYS 19 -5.705 10.303 -17.745 414 2HZ LYS 19 2HZ LYS 19 -4.163 9.976 -18.379 415 3HZ LYS 19 3HZ LYS 19 -5.195 11.074 -19.166 416 H LYS 20 H LYS 20 0.837 12.541 -17.515 417 HA LYS 20 HA LYS 20 1.417 12.568 -14.749 418 1HB LYS 20 2HB LYS 20 3.128 10.904 -16.289 419 2HB LYS 20 1HB LYS 20 4.079 12.314 -15.817 420 1HG LYS 20 2HG LYS 20 2.679 11.711 -13.504 421 2HG LYS 20 1HG LYS 20 3.061 10.120 -14.164 422 1HD LYS 20 2HD LYS 20 5.136 10.359 -13.320 423 2HD LYS 20 1HD LYS 20 5.402 11.632 -14.511 424 1HE LYS 20 2HE LYS 20 4.381 13.273 -12.885 425 2HE LYS 20 1HE LYS 20 4.370 11.973 -11.676 426 1HZ LYS 20 1HZ LYS 20 6.809 11.664 -12.475 427 2HZ LYS 20 2HZ LYS 20 6.444 12.873 -11.339 428 3HZ LYS 20 3HZ LYS 20 6.664 13.278 -12.974 429 H ALA 21 H ALA 21 0.431 14.541 -16.317 430 HA ALA 21 HA ALA 21 2.393 16.684 -16.017 431 1HB ALA 21 1HB ALA 21 1.445 16.400 -18.821 432 2HB ALA 21 2HB ALA 21 2.647 15.227 -18.285 433 3HB ALA 21 3HB ALA 21 3.007 16.952 -18.217 434 HA PRO 22 HA PRO 22 -1.367 18.942 -15.741 435 1HB PRO 22 2HB PRO 22 -0.471 21.460 -16.325 436 2HB PRO 22 1HB PRO 22 -0.126 20.644 -14.787 437 1HG PRO 22 2HG PRO 22 1.611 20.990 -17.176 438 2HG PRO 22 1HG PRO 22 2.031 21.041 -15.458 439 1HD PRO 22 2HD PRO 22 2.502 18.887 -17.075 440 2HD PRO 22 1HD PRO 22 2.267 18.773 -15.316 441 H THR 23 H THR 23 -2.301 17.899 -17.696 442 HA THR 23 HA THR 23 -1.945 18.458 -20.366 443 HB THR 23 HB THR 23 -4.755 18.566 -19.430 444 HG1 THR 23 HG1 THR 23 -3.086 16.364 -18.807 445 1HG2 THR 23 1HG2 THR 23 -4.772 16.452 -20.867 446 2HG2 THR 23 2HG2 THR 23 -3.089 16.818 -21.244 447 3HG2 THR 23 3HG2 THR 23 -4.360 17.952 -21.698 448 H ASN 24 H ASN 24 -1.833 20.365 -21.482 449 HA ASN 24 HA ASN 24 -3.804 22.401 -21.462 450 1HB ASN 24 2HB ASN 24 -2.058 22.358 -19.181 451 2HB ASN 24 1HB ASN 24 -1.736 23.822 -20.109 452 1HD2 ASN 24 1HD2 ASN 24 -3.484 25.384 -20.348 453 2HD2 ASN 24 2HD2 ASN 24 -4.888 25.297 -19.397 454 H GLU 25 H GLU 25 -2.078 21.105 -23.362 455 HA GLU 25 HA GLU 25 -0.003 23.052 -24.141 456 1HB GLU 25 2HB GLU 25 -0.160 20.396 -24.313 457 2HB GLU 25 1HB GLU 25 -0.929 20.777 -25.853 458 1HG GLU 25 2HG GLU 25 1.325 22.470 -25.671 459 2HG GLU 25 1HG GLU 25 1.872 20.872 -25.163 460 H PHE 26 H PHE 26 -0.368 22.771 -26.985 461 HA PHE 26 HA PHE 26 -3.021 24.017 -27.524 462 1HB PHE 26 2HB PHE 26 -1.648 25.904 -27.021 463 2HB PHE 26 1HB PHE 26 -0.276 25.233 -27.905 464 HD1 PHE 26 HD1 PHE 26 -3.635 26.760 -28.249 465 HD2 PHE 26 HD2 PHE 26 -0.101 25.433 -30.298 466 HE1 PHE 26 HE1 PHE 26 -4.401 27.904 -30.312 467 HE2 PHE 26 HE2 PHE 26 -0.867 26.577 -32.361 468 HZ PHE 26 HZ PHE 26 -3.017 27.813 -32.368 469 H TYR 27 H TYR 27 -3.562 23.965 -29.815 470 HA TYR 27 HA TYR 27 -1.747 22.831 -31.786 471 1HB TYR 27 2HB TYR 27 -3.123 20.693 -31.980 472 2HB TYR 27 1HB TYR 27 -2.131 20.816 -30.527 473 HD1 TYR 27 HD1 TYR 27 -3.160 21.396 -28.344 474 HD2 TYR 27 HD2 TYR 27 -5.532 20.758 -31.868 475 HE1 TYR 27 HE1 TYR 27 -5.191 21.173 -26.938 476 HE2 TYR 27 HE2 TYR 27 -7.563 20.534 -30.462 477 HH TYR 27 HH TYR 27 -7.707 19.799 -27.549 478 H ALA 28 HN ALA 28 -2.674 22.947 -33.894 479 HA ALA 28 HA ALA 28 -5.218 24.487 -34.039 480 1HB ALA 28 1HB ALA 28 -3.905 24.084 -36.560 481 2HB ALA 28 2HB ALA 28 -2.683 24.479 -35.351 482 3HB ALA 28 3HB ALA 28 -4.037 25.575 -35.627 Start of MODEL 14 1 1H ARG 1 1HT ARG 1 -20.377 -23.510 -4.305 2 2H ARG 1 2HT ARG 1 -18.771 -23.047 -4.610 3 3H ARG 1 3HT ARG 1 -19.434 -22.854 -3.057 4 HA ARG 1 HA ARG 1 -17.960 -24.786 -3.121 5 1HB ARG 1 2HB ARG 1 -20.954 -25.114 -2.815 6 2HB ARG 1 1HB ARG 1 -19.816 -26.369 -2.323 7 1HG ARG 1 2HG ARG 1 -18.962 -23.788 -1.326 8 2HG ARG 1 1HG ARG 1 -20.614 -24.129 -0.814 9 1HD ARG 1 2HD ARG 1 -19.186 -26.560 -0.507 10 2HD ARG 1 1HD ARG 1 -18.168 -25.282 0.187 11 HE ARG 1 HE ARG 1 -21.051 -25.230 0.877 12 1HH1 ARG 1 1HH1 ARG 1 -17.919 -26.374 1.692 13 2HH1 ARG 1 2HH1 ARG 1 -18.141 -26.186 3.399 14 1HH2 ARG 1 1HH2 ARG 1 -21.295 -24.777 3.103 15 2HH2 ARG 1 2HH2 ARG 1 -20.053 -25.283 4.198 16 H MET 2 H MET 2 -19.327 -24.215 -5.989 17 HA MET 2 HA MET 2 -18.801 -26.992 -6.969 18 1HB MET 2 2HB MET 2 -21.182 -25.202 -7.552 19 2HB MET 2 1HB MET 2 -20.839 -26.698 -8.420 20 1HG MET 2 2HG MET 2 -20.728 -27.105 -5.543 21 2HG MET 2 1HG MET 2 -22.291 -26.455 -6.037 22 1HE MET 2 1HE MET 2 -22.461 -28.560 -4.684 23 2HE MET 2 2HE MET 2 -21.616 -30.046 -5.110 24 3HE MET 2 3HE MET 2 -23.312 -29.852 -5.542 25 H LYS 3 H LYS 3 -17.065 -26.680 -8.323 26 HA LYS 3 HA LYS 3 -17.280 -25.093 -10.712 27 1HB LYS 3 2HB LYS 3 -15.725 -23.294 -10.087 28 2HB LYS 3 1HB LYS 3 -17.101 -23.305 -8.985 29 1HG LYS 3 2HG LYS 3 -14.738 -24.964 -8.238 30 2HG LYS 3 1HG LYS 3 -14.581 -23.214 -8.085 31 1HD LYS 3 2HD LYS 3 -15.725 -23.307 -6.153 32 2HD LYS 3 1HD LYS 3 -17.129 -23.899 -7.042 33 1HE LYS 3 2HE LYS 3 -16.899 -25.839 -5.883 34 2HE LYS 3 1HE LYS 3 -15.424 -26.128 -6.829 35 1HZ LYS 3 1HZ LYS 3 -14.298 -24.582 -5.204 36 2HZ LYS 3 2HZ LYS 3 -14.736 -26.104 -4.592 37 3HZ LYS 3 3HZ LYS 3 -15.674 -24.737 -4.224 38 H LYS 4 H LYS 4 -15.454 -25.452 -12.094 39 HA LYS 4 HA LYS 4 -13.690 -27.674 -11.214 40 1HB LYS 4 2HB LYS 4 -13.946 -26.381 -13.940 41 2HB LYS 4 1HB LYS 4 -13.386 -28.012 -13.567 42 1HG LYS 4 2HG LYS 4 -15.610 -28.651 -12.806 43 2HG LYS 4 1HG LYS 4 -16.192 -27.001 -13.025 44 1HD LYS 4 2HD LYS 4 -15.330 -27.337 -15.493 45 2HD LYS 4 1HD LYS 4 -15.488 -29.050 -15.102 46 1HE LYS 4 2HE LYS 4 -17.717 -27.018 -14.729 47 2HE LYS 4 1HE LYS 4 -17.579 -28.111 -16.121 48 1HZ LYS 4 1HZ LYS 4 -17.925 -29.953 -14.839 49 2HZ LYS 4 2HZ LYS 4 -18.881 -28.841 -13.981 50 3HZ LYS 4 3HZ LYS 4 -17.324 -29.236 -13.425 51 H LYS 5 H LYS 5 -13.556 -24.368 -11.114 52 HA LYS 5 HA LYS 5 -11.787 -22.784 -11.174 53 1HB LYS 5 2HB LYS 5 -11.342 -24.027 -9.141 54 2HB LYS 5 1HB LYS 5 -10.572 -25.327 -10.053 55 1HG LYS 5 2HG LYS 5 -8.965 -23.456 -10.903 56 2HG LYS 5 1HG LYS 5 -9.553 -22.547 -9.509 57 1HD LYS 5 2HD LYS 5 -7.483 -23.850 -9.002 58 2HD LYS 5 1HD LYS 5 -8.853 -24.329 -7.999 59 1HE LYS 5 2HE LYS 5 -8.650 -25.818 -10.544 60 2HE LYS 5 1HE LYS 5 -7.314 -26.105 -9.411 61 1HZ LYS 5 1HZ LYS 5 -9.658 -27.327 -9.189 62 2HZ LYS 5 2HZ LYS 5 -9.984 -25.942 -8.262 63 3HZ LYS 5 3HZ LYS 5 -8.686 -26.957 -7.850 64 H ASP 6 H ASP 6 -11.567 -22.583 -13.509 65 HA ASP 6 HA ASP 6 -8.970 -23.143 -14.551 66 1HB ASP 6 2HB ASP 6 -9.782 -24.940 -16.208 67 2HB ASP 6 1HB ASP 6 -9.578 -25.452 -14.532 68 H GLU 7 H GLU 7 -10.382 -20.839 -14.681 69 HA GLU 7 HA GLU 7 -10.449 -20.128 -17.419 70 1HB GLU 7 2HB GLU 7 -12.679 -21.693 -16.520 71 2HB GLU 7 1HB GLU 7 -13.258 -20.073 -16.914 72 1HG GLU 7 2HG GLU 7 -12.555 -20.220 -19.142 73 2HG GLU 7 1HG GLU 7 -11.385 -21.492 -18.790 74 H GLY 8 H GLY 8 -9.493 -18.741 -15.300 75 1HA GLY 8 2HA GLY 8 -10.949 -16.248 -15.418 76 2HA GLY 8 1HA GLY 8 -11.145 -17.018 -13.843 77 H SER 9 H SER 9 -8.317 -16.889 -16.019 78 HA SER 9 HA SER 9 -6.867 -15.024 -14.352 79 1HB SER 9 2HB SER 9 -5.205 -17.034 -13.778 80 2HB SER 9 1HB SER 9 -6.591 -16.676 -12.751 81 HG SER 9 HG SER 9 -7.049 -18.696 -13.180 82 H TYR 10 H TYR 10 -6.884 -14.476 -16.820 83 HA TYR 10 HA TYR 10 -4.260 -14.914 -17.897 84 1HB TYR 10 2HB TYR 10 -5.657 -17.162 -18.093 85 2HB TYR 10 1HB TYR 10 -6.348 -16.353 -19.500 86 HD1 TYR 10 HD1 TYR 10 -3.725 -14.690 -20.008 87 HD2 TYR 10 HD2 TYR 10 -4.534 -18.873 -19.454 88 HE1 TYR 10 HE1 TYR 10 -1.702 -15.256 -21.327 89 HE2 TYR 10 HE2 TYR 10 -2.511 -19.438 -20.773 90 HH TYR 10 HH TYR 10 -0.668 -16.965 -22.461 91 H ASP 11 H ASP 11 -4.819 -12.544 -17.998 92 HA ASP 11 HA ASP 11 -5.648 -11.783 -20.663 93 1HB ASP 11 2HB ASP 11 -7.849 -12.171 -19.856 94 2HB ASP 11 1HB ASP 11 -7.477 -11.463 -18.284 95 H LEU 12 H LEU 12 -5.077 -10.782 -17.304 96 HA LEU 12 HA LEU 12 -4.704 -8.059 -17.452 97 1HB LEU 12 2HB LEU 12 -2.995 -10.199 -16.154 98 2HB LEU 12 1HB LEU 12 -2.850 -8.483 -15.774 99 HG LEU 12 HG LEU 12 -5.401 -10.102 -15.517 100 1HD1 LEU 12 1HD1 LEU 12 -3.791 -8.957 -13.244 101 2HD1 LEU 12 2HD1 LEU 12 -3.408 -10.551 -13.896 102 3HD1 LEU 12 3HD1 LEU 12 -5.001 -10.239 -13.203 103 1HD2 LEU 12 1HD2 LEU 12 -6.377 -8.069 -15.451 104 2HD2 LEU 12 2HD2 LEU 12 -4.809 -7.265 -15.541 105 3HD2 LEU 12 3HD2 LEU 12 -5.466 -7.743 -13.976 106 H GLY 13 H GLY 13 -3.338 -6.685 -18.555 107 1HA GLY 13 2HA GLY 13 -1.573 -7.757 -20.595 108 2HA GLY 13 1HA GLY 13 -1.776 -6.050 -20.202 109 H LYS 14 H LYS 14 -0.801 -5.477 -17.932 110 HA LYS 14 HA LYS 14 1.429 -7.085 -16.998 111 1HB LYS 14 2HB LYS 14 2.268 -6.300 -19.183 112 2HB LYS 14 1HB LYS 14 1.963 -4.631 -18.700 113 1HG LYS 14 2HG LYS 14 4.257 -4.927 -18.236 114 2HG LYS 14 1HG LYS 14 3.486 -5.164 -16.668 115 1HD LYS 14 2HD LYS 14 4.703 -7.093 -16.645 116 2HD LYS 14 1HD LYS 14 3.389 -7.699 -17.655 117 1HE LYS 14 2HE LYS 14 4.689 -6.946 -19.684 118 2HE LYS 14 1HE LYS 14 6.047 -6.577 -18.602 119 1HZ LYS 14 1HZ LYS 14 6.161 -8.858 -19.471 120 2HZ LYS 14 2HZ LYS 14 4.656 -9.201 -18.760 121 3HZ LYS 14 3HZ LYS 14 5.997 -8.832 -17.783 122 H LYS 15 H LYS 15 2.175 -3.750 -17.036 123 HA LYS 15 HA LYS 15 0.820 -3.334 -14.399 124 1HB LYS 15 2HB LYS 15 3.712 -3.134 -15.208 125 2HB LYS 15 1HB LYS 15 3.104 -2.140 -13.884 126 1HG LYS 15 2HG LYS 15 2.180 -4.889 -13.651 127 2HG LYS 15 1HG LYS 15 3.941 -4.805 -13.707 128 1HD LYS 15 2HD LYS 15 3.955 -4.127 -11.564 129 2HD LYS 15 1HD LYS 15 3.064 -2.680 -12.037 130 1HE LYS 15 2HE LYS 15 0.930 -3.848 -11.743 131 2HE LYS 15 1HE LYS 15 1.787 -5.354 -11.357 132 1HZ LYS 15 1HZ LYS 15 2.998 -3.929 -9.631 133 2HZ LYS 15 2HZ LYS 15 1.405 -4.405 -9.282 134 3HZ LYS 15 3HZ LYS 15 1.724 -2.827 -9.826 135 HA PRO 16 HA PRO 16 -0.296 0.454 -16.411 136 1HB PRO 16 2HB PRO 16 -1.373 1.693 -14.224 137 2HB PRO 16 1HB PRO 16 -2.208 0.404 -15.114 138 1HG PRO 16 2HG PRO 16 -0.701 0.265 -12.552 139 2HG PRO 16 1HG PRO 16 -2.190 -0.563 -13.032 140 1HD PRO 16 2HD PRO 16 0.264 -1.757 -13.012 141 2HD PRO 16 1HD PRO 16 -1.065 -2.254 -14.082 142 H ILE 17 H ILE 17 0.461 2.658 -16.435 143 HA ILE 17 HA ILE 17 2.577 3.345 -14.444 144 HB ILE 17 HB ILE 17 2.917 4.035 -17.327 145 1HG1 ILE 17 2HG1 ILE 17 3.880 1.381 -16.249 146 2HG1 ILE 17 1HG1 ILE 17 2.352 1.521 -17.118 147 1HG2 ILE 17 1HG2 ILE 17 4.405 4.310 -14.973 148 2HG2 ILE 17 2HG2 ILE 17 4.969 4.612 -16.617 149 3HG2 ILE 17 3HG2 ILE 17 5.216 3.031 -15.876 150 1HD1 ILE 17 1HD1 ILE 17 5.110 2.206 -18.154 151 2HD1 ILE 17 2HD1 ILE 17 3.620 2.639 -18.994 152 3HD1 ILE 17 3HD1 ILE 17 4.029 0.942 -18.740 153 H TYR 18 H TYR 18 3.248 5.818 -15.154 154 HA TYR 18 HA TYR 18 1.074 7.444 -16.185 155 1HB TYR 18 2HB TYR 18 1.046 6.570 -13.438 156 2HB TYR 18 1HB TYR 18 1.245 8.322 -13.489 157 HD1 TYR 18 HD1 TYR 18 -1.014 5.526 -14.110 158 HD2 TYR 18 HD2 TYR 18 -0.408 9.735 -14.725 159 HE1 TYR 18 HE1 TYR 18 -3.415 5.791 -14.668 160 HE2 TYR 18 HE2 TYR 18 -2.810 9.999 -15.282 161 HH TYR 18 HH TYR 18 -4.692 8.026 -16.278 162 H LYS 19 H LYS 19 3.153 8.065 -17.307 163 HA LYS 19 HA LYS 19 4.536 10.221 -15.766 164 1HB LYS 19 2HB LYS 19 5.709 7.903 -17.314 165 2HB LYS 19 1HB LYS 19 6.650 9.350 -16.950 166 1HG LYS 19 2HG LYS 19 5.372 8.604 -14.536 167 2HG LYS 19 1HG LYS 19 6.038 7.124 -15.226 168 1HD LYS 19 2HD LYS 19 8.217 7.867 -15.075 169 2HD LYS 19 1HD LYS 19 7.763 9.561 -15.258 170 1HE LYS 19 2HE LYS 19 6.902 9.626 -12.970 171 2HE LYS 19 1HE LYS 19 7.222 7.892 -12.776 172 1HZ LYS 19 1HZ LYS 19 9.273 9.926 -13.473 173 2HZ LYS 19 2HZ LYS 19 9.547 8.272 -13.197 174 3HZ LYS 19 3HZ LYS 19 9.050 9.279 -11.921 175 H LYS 20 H LYS 20 5.195 11.987 -17.084 176 HA LYS 20 HA LYS 20 5.384 12.067 -19.893 177 1HB LYS 20 2HB LYS 20 2.728 11.668 -18.904 178 2HB LYS 20 1HB LYS 20 2.804 13.276 -19.626 179 1HG LYS 20 2HG LYS 20 4.036 10.964 -21.087 180 2HG LYS 20 1HG LYS 20 2.286 11.180 -21.141 181 1HD LYS 20 2HD LYS 20 2.688 12.616 -22.845 182 2HD LYS 20 1HD LYS 20 3.216 13.740 -21.591 183 1HE LYS 20 2HE LYS 20 5.450 12.118 -21.983 184 2HE LYS 20 1HE LYS 20 4.815 12.374 -23.621 185 1HZ LYS 20 1HZ LYS 20 4.920 14.656 -23.406 186 2HZ LYS 20 2HZ LYS 20 6.324 14.176 -22.580 187 3HZ LYS 20 3HZ LYS 20 4.931 14.615 -21.711 188 H ALA 21 H ALA 21 6.186 14.086 -20.420 189 HA ALA 21 HA ALA 21 5.319 16.505 -19.001 190 1HB ALA 21 1HB ALA 21 8.050 15.247 -18.603 191 2HB ALA 21 2HB ALA 21 6.833 15.559 -17.365 192 3HB ALA 21 3HB ALA 21 7.667 16.905 -18.140 193 HA PRO 22 HA PRO 22 6.784 17.277 -23.255 194 1HB PRO 22 2HB PRO 22 4.935 19.226 -23.775 195 2HB PRO 22 1HB PRO 22 4.590 17.495 -23.959 196 1HG PRO 22 2HG PRO 22 3.853 19.346 -21.752 197 2HG PRO 22 1HG PRO 22 2.927 18.020 -22.470 198 1HD PRO 22 2HD PRO 22 4.253 17.831 -20.086 199 2HD PRO 22 1HD PRO 22 3.911 16.442 -21.141 200 H THR 23 H THR 23 8.403 18.757 -23.656 201 HA THR 23 HA THR 23 9.536 20.505 -21.860 202 HB THR 23 HB THR 23 10.084 21.806 -24.118 203 HG1 THR 23 HG1 THR 23 9.296 19.352 -25.199 204 1HG2 THR 23 1HG2 THR 23 11.151 19.175 -24.527 205 2HG2 THR 23 2HG2 THR 23 11.090 19.501 -22.795 206 3HG2 THR 23 3HG2 THR 23 11.960 20.597 -23.869 207 H ASN 24 H ASN 24 9.045 22.523 -21.029 208 HA ASN 24 HA ASN 24 6.424 23.623 -21.217 209 1HB ASN 24 2HB ASN 24 9.049 24.966 -20.489 210 2HB ASN 24 1HB ASN 24 7.441 25.480 -19.978 211 1HD2 ASN 24 1HD2 ASN 24 9.758 24.511 -18.288 212 2HD2 ASN 24 2HD2 ASN 24 9.141 23.198 -17.407 213 H GLU 25 H GLU 25 5.910 25.837 -22.103 214 HA GLU 25 HA GLU 25 7.583 26.996 -24.182 215 1HB GLU 25 2HB GLU 25 6.222 24.694 -24.866 216 2HB GLU 25 1HB GLU 25 5.111 25.957 -25.399 217 1HG GLU 25 2HG GLU 25 7.814 26.681 -26.103 218 2HG GLU 25 1HG GLU 25 7.448 25.069 -26.719 219 H PHE 26 H PHE 26 6.555 28.915 -25.108 220 HA PHE 26 HA PHE 26 5.130 30.802 -25.028 221 1HB PHE 26 2HB PHE 26 3.583 28.488 -25.072 222 2HB PHE 26 1HB PHE 26 2.920 29.399 -23.715 223 HD1 PHE 26 HD1 PHE 26 1.561 31.305 -24.072 224 HD2 PHE 26 HD2 PHE 26 3.849 29.670 -27.320 225 HE1 PHE 26 HE1 PHE 26 0.397 32.818 -25.655 226 HE2 PHE 26 HE2 PHE 26 2.684 31.183 -28.902 227 HZ PHE 26 HZ PHE 26 0.959 32.757 -28.070 228 H TYR 27 H TYR 27 3.675 32.029 -23.303 229 HA TYR 27 HA TYR 27 4.735 31.499 -20.549 230 1HB TYR 27 2HB TYR 27 6.077 33.240 -21.568 231 2HB TYR 27 1HB TYR 27 4.636 34.083 -22.136 232 HD1 TYR 27 HD1 TYR 27 4.870 36.164 -20.980 233 HD2 TYR 27 HD2 TYR 27 5.061 32.455 -18.821 234 HE1 TYR 27 HE1 TYR 27 4.749 37.405 -18.836 235 HE2 TYR 27 HE2 TYR 27 4.941 33.696 -16.679 236 HH TYR 27 HH TYR 27 3.863 36.610 -16.302 237 H ALA 28 HN ALA 28 2.657 34.036 -21.967 238 HA ALA 28 HA ALA 28 0.415 34.622 -21.485 239 1HB ALA 28 1HB ALA 28 0.614 31.834 -21.649 240 2HB ALA 28 2HB ALA 28 -0.880 32.773 -21.672 241 3HB ALA 28 3HB ALA 28 -0.271 32.119 -20.151 242 1H ARG 1 1HT ARG 1 8.493 -31.369 -26.430 243 2H ARG 1 2HT ARG 1 7.243 -30.235 -26.227 244 3H ARG 1 3HT ARG 1 7.883 -30.532 -27.774 245 HA ARG 1 HA ARG 1 5.733 -31.633 -27.515 246 1HB ARG 1 2HB ARG 1 8.295 -33.233 -27.698 247 2HB ARG 1 1HB ARG 1 6.720 -33.937 -28.065 248 1HG ARG 1 2HG ARG 1 7.012 -31.380 -29.390 249 2HG ARG 1 1HG ARG 1 8.350 -32.449 -29.812 250 1HD ARG 1 2HD ARG 1 6.020 -34.062 -29.861 251 2HD ARG 1 1HD ARG 1 5.620 -32.568 -30.731 252 HE ARG 1 HE ARG 1 8.234 -33.826 -31.346 253 1HH1 ARG 1 1HH1 ARG 1 4.891 -33.624 -32.100 254 2HH1 ARG 1 2HH1 ARG 1 5.126 -33.757 -33.811 255 1HH2 ARG 1 1HH2 ARG 1 8.587 -33.792 -33.602 256 2HH2 ARG 1 2HH2 ARG 1 7.218 -33.853 -34.661 257 H MET 2 H MET 2 7.289 -31.354 -24.702 258 HA MET 2 HA MET 2 5.663 -33.504 -23.407 259 1HB MET 2 2HB MET 2 8.592 -32.836 -22.981 260 2HB MET 2 1HB MET 2 7.672 -33.929 -21.948 261 1HG MET 2 2HG MET 2 7.320 -34.595 -24.756 262 2HG MET 2 1HG MET 2 9.025 -34.615 -24.303 263 1HE MET 2 1HE MET 2 8.251 -36.739 -25.386 264 2HE MET 2 2HE MET 2 6.866 -37.662 -24.805 265 3HE MET 2 3HE MET 2 8.497 -38.157 -24.355 266 H LYS 3 H LYS 3 4.260 -32.325 -22.149 267 HA LYS 3 HA LYS 3 5.192 -30.702 -19.964 268 1HB LYS 3 2HB LYS 3 4.529 -28.503 -20.844 269 2HB LYS 3 1HB LYS 3 5.740 -29.230 -21.900 270 1HG LYS 3 2HG LYS 3 2.877 -29.809 -22.504 271 2HG LYS 3 1HG LYS 3 3.472 -28.189 -22.871 272 1HD LYS 3 2HD LYS 3 4.417 -28.992 -24.747 273 2HD LYS 3 1HD LYS 3 5.462 -30.010 -23.754 274 1HE LYS 3 2HE LYS 3 4.399 -31.795 -24.676 275 2HE LYS 3 1HE LYS 3 2.967 -31.315 -23.743 276 1HZ LYS 3 1HZ LYS 3 2.559 -29.647 -25.573 277 2HZ LYS 3 2HZ LYS 3 2.294 -31.273 -25.984 278 3HZ LYS 3 3HZ LYS 3 3.712 -30.487 -26.489 279 H LYS 4 H LYS 4 3.423 -30.083 -18.599 280 HA LYS 4 HA LYS 4 0.861 -31.436 -19.251 281 1HB LYS 4 2HB LYS 4 1.714 -30.054 -16.695 282 2HB LYS 4 1HB LYS 4 0.506 -31.326 -16.883 283 1HG LYS 4 2HG LYS 4 2.228 -32.934 -17.500 284 2HG LYS 4 1HG LYS 4 3.461 -31.674 -17.467 285 1HD LYS 4 2HD LYS 4 2.605 -31.311 -15.001 286 2HD LYS 4 1HD LYS 4 2.010 -32.962 -15.178 287 1HE LYS 4 2HE LYS 4 4.881 -32.128 -15.734 288 2HE LYS 4 1HE LYS 4 4.329 -32.881 -14.224 289 1HZ LYS 4 1HZ LYS 4 3.828 -34.838 -15.263 290 2HZ LYS 4 2HZ LYS 4 5.141 -34.349 -16.224 291 3HZ LYS 4 3HZ LYS 4 3.549 -34.110 -16.768 292 H LYS 5 H LYS 5 2.138 -28.425 -19.754 293 HA LYS 5 HA LYS 5 1.209 -26.245 -19.934 294 1HB LYS 5 2HB LYS 5 0.224 -27.419 -21.813 295 2HB LYS 5 1HB LYS 5 -0.999 -28.149 -20.772 296 1HG LYS 5 2HG LYS 5 -1.638 -25.685 -20.199 297 2HG LYS 5 1HG LYS 5 -0.759 -25.288 -21.675 298 1HD LYS 5 2HD LYS 5 -3.198 -25.641 -22.077 299 2HD LYS 5 1HD LYS 5 -2.188 -26.774 -22.977 300 1HE LYS 5 2HE LYS 5 -2.934 -27.716 -20.276 301 2HE LYS 5 1HE LYS 5 -4.296 -27.544 -21.403 302 1HZ LYS 5 1HZ LYS 5 -2.697 -29.661 -21.411 303 2HZ LYS 5 2HZ LYS 5 -1.840 -28.668 -22.490 304 3HZ LYS 5 3HZ LYS 5 -3.457 -29.080 -22.811 305 H ASP 6 H ASP 6 1.158 -25.689 -17.648 306 HA ASP 6 HA ASP 6 -1.402 -24.965 -16.615 307 1HB ASP 6 2HB ASP 6 -1.383 -26.721 -14.732 308 2HB ASP 6 1HB ASP 6 -1.830 -27.297 -16.338 309 H GLU 7 H GLU 7 0.857 -23.480 -16.727 310 HA GLU 7 HA GLU 7 1.292 -22.537 -14.095 311 1HB GLU 7 2HB GLU 7 2.624 -24.995 -14.738 312 2HB GLU 7 1HB GLU 7 3.845 -23.740 -14.526 313 1HG GLU 7 2HG GLU 7 3.207 -23.304 -12.317 314 2HG GLU 7 1HG GLU 7 1.598 -23.993 -12.544 315 H GLY 8 H GLY 8 0.957 -21.144 -16.392 316 1HA GLY 8 2HA GLY 8 3.334 -19.509 -16.537 317 2HA GLY 8 1HA GLY 8 3.143 -20.474 -18.002 318 H SER 9 H SER 9 0.696 -18.896 -15.935 319 HA SER 9 HA SER 9 0.128 -16.809 -17.853 320 1HB SER 9 2HB SER 9 -2.243 -17.980 -18.225 321 2HB SER 9 1HB SER 9 -0.864 -18.370 -19.250 322 HG SER 9 HG SER 9 -1.295 -20.325 -18.567 323 H TYR 10 H TYR 10 0.444 -16.026 -15.472 324 HA TYR 10 HA TYR 10 -2.089 -15.176 -14.421 325 1HB TYR 10 2HB TYR 10 -1.771 -17.763 -13.915 326 2HB TYR 10 1HB TYR 10 -0.766 -17.159 -12.599 327 HD1 TYR 10 HD1 TYR 10 -2.422 -14.494 -12.367 328 HD2 TYR 10 HD2 TYR 10 -3.477 -18.658 -12.388 329 HE1 TYR 10 HE1 TYR 10 -4.456 -13.985 -11.044 330 HE2 TYR 10 HE2 TYR 10 -5.512 -18.149 -11.066 331 HH TYR 10 HH TYR 10 -6.087 -14.944 -9.740 332 H ASP 11 H ASP 11 -0.576 -13.274 -14.592 333 HA ASP 11 HA ASP 11 0.569 -12.620 -12.018 334 1HB ASP 11 2HB ASP 11 2.376 -13.998 -12.712 335 2HB ASP 11 1HB ASP 11 2.297 -13.395 -14.367 336 H LEU 12 H LEU 12 0.386 -11.886 -15.487 337 HA LEU 12 HA LEU 12 1.206 -9.266 -15.681 338 1HB LEU 12 2HB LEU 12 -1.284 -10.620 -16.755 339 2HB LEU 12 1HB LEU 12 -0.698 -9.065 -17.344 340 HG LEU 12 HG LEU 12 0.919 -11.630 -17.334 341 1HD1 LEU 12 1HD1 LEU 12 -0.115 -10.194 -19.773 342 2HD1 LEU 12 2HD1 LEU 12 -1.119 -11.383 -18.942 343 3HD1 LEU 12 3HD1 LEU 12 0.435 -11.863 -19.624 344 1HD2 LEU 12 1HD2 LEU 12 2.662 -10.226 -17.619 345 2HD2 LEU 12 2HD2 LEU 12 1.586 -8.828 -17.670 346 3HD2 LEU 12 3HD2 LEU 12 1.936 -9.726 -19.147 347 H GLY 13 H GLY 13 0.582 -7.320 -14.789 348 1HA GLY 13 2HA GLY 13 -1.416 -7.288 -12.683 349 2HA GLY 13 1HA GLY 13 -0.520 -5.888 -13.275 350 H LYS 14 H LYS 14 -1.222 -5.236 -15.622 351 HA LYS 14 HA LYS 14 -3.947 -5.847 -16.415 352 1HB LYS 14 2HB LYS 14 -4.314 -4.523 -14.364 353 2HB LYS 14 1HB LYS 14 -3.344 -3.213 -15.038 354 1HG LYS 14 2HG LYS 14 -5.559 -2.561 -15.525 355 2HG LYS 14 1HG LYS 14 -5.003 -3.292 -17.031 356 1HD LYS 14 2HD LYS 14 -6.924 -4.510 -16.852 357 2HD LYS 14 1HD LYS 14 -5.964 -5.489 -15.742 358 1HE LYS 14 2HE LYS 14 -6.767 -4.016 -13.854 359 2HE LYS 14 1HE LYS 14 -7.870 -3.241 -15.009 360 1HZ LYS 14 1HZ LYS 14 -8.915 -5.134 -13.873 361 2HZ LYS 14 2HZ LYS 14 -7.717 -6.165 -14.497 362 3HZ LYS 14 3HZ LYS 14 -8.801 -5.385 -15.548 363 H LYS 15 H LYS 15 -3.208 -2.533 -16.801 364 HA LYS 15 HA LYS 15 -1.876 -3.054 -19.431 365 1HB LYS 15 2HB LYS 15 -4.388 -1.550 -18.730 366 2HB LYS 15 1HB LYS 15 -3.452 -1.077 -20.149 367 1HG LYS 15 2HG LYS 15 -3.787 -3.963 -20.022 368 2HG LYS 15 1HG LYS 15 -5.344 -3.135 -20.024 369 1HD LYS 15 2HD LYS 15 -5.127 -2.780 -22.233 370 2HD LYS 15 1HD LYS 15 -3.695 -1.801 -21.915 371 1HE LYS 15 2HE LYS 15 -2.266 -3.789 -22.007 372 2HE LYS 15 1HE LYS 15 -3.690 -4.826 -22.231 373 1HZ LYS 15 1HZ LYS 15 -4.229 -3.241 -24.150 374 2HZ LYS 15 2HZ LYS 15 -2.998 -4.387 -24.395 375 3HZ LYS 15 3HZ LYS 15 -2.603 -2.770 -24.055 376 HA PRO 16 HA PRO 16 0.793 0.119 -17.863 377 1HB PRO 16 2HB PRO 16 2.235 0.508 -20.155 378 2HB PRO 16 1HB PRO 16 2.469 -0.895 -19.093 379 1HG PRO 16 2HG PRO 16 0.977 -0.691 -21.659 380 2HG PRO 16 1HG PRO 16 1.987 -2.006 -21.042 381 1HD PRO 16 2HD PRO 16 -0.742 -2.041 -20.983 382 2HD PRO 16 1HD PRO 16 0.280 -2.922 -19.826 383 H ILE 17 H ILE 17 1.043 2.420 -18.127 384 HA ILE 17 HA ILE 17 -0.636 3.693 -20.243 385 HB ILE 17 HB ILE 17 -0.574 4.805 -17.476 386 1HG1 ILE 17 2HG1 ILE 17 -2.598 2.699 -18.250 387 2HG1 ILE 17 1HG1 ILE 17 -1.132 2.283 -17.363 388 1HG2 ILE 17 1HG2 ILE 17 -1.867 5.396 -19.884 389 2HG2 ILE 17 2HG2 ILE 17 -2.205 6.107 -18.305 390 3HG2 ILE 17 3HG2 ILE 17 -3.119 4.702 -18.855 391 1HD1 ILE 17 1HD1 ILE 17 -3.310 4.193 -16.494 392 2HD1 ILE 17 2HD1 ILE 17 -1.756 4.052 -15.671 393 3HD1 ILE 17 3HD1 ILE 17 -2.853 2.671 -15.729 394 H TYR 18 H TYR 18 -0.177 6.282 -19.856 395 HA TYR 18 HA TYR 18 2.510 6.945 -18.972 396 1HB TYR 18 2HB TYR 18 2.091 5.817 -21.591 397 2HB TYR 18 1HB TYR 18 2.654 7.479 -21.758 398 HD1 TYR 18 HD1 TYR 18 3.531 4.087 -20.742 399 HD2 TYR 18 HD2 TYR 18 4.782 8.197 -20.658 400 HE1 TYR 18 HE1 TYR 18 5.832 3.376 -20.155 401 HE2 TYR 18 HE2 TYR 18 7.084 7.483 -20.072 402 HH TYR 18 HH TYR 18 7.979 5.036 -18.795 403 H LYS 19 H LYS 19 0.921 8.520 -17.989 404 HA LYS 19 HA LYS 19 0.541 10.855 -19.818 405 1HB LYS 19 2HB LYS 19 -1.461 9.459 -18.033 406 2HB LYS 19 1HB LYS 19 -1.710 11.113 -18.594 407 1HG LYS 19 2HG LYS 19 -0.935 9.608 -20.864 408 2HG LYS 19 1HG LYS 19 -2.147 8.645 -20.019 409 1HD LYS 19 2HD LYS 19 -3.809 10.218 -20.317 410 2HD LYS 19 1HD LYS 19 -2.674 11.568 -20.329 411 1HE LYS 19 2HE LYS 19 -1.929 10.985 -22.584 412 2HE LYS 19 1HE LYS 19 -2.959 9.539 -22.576 413 1HZ LYS 19 1HZ LYS 19 -3.935 12.319 -22.186 414 2HZ LYS 19 2HZ LYS 19 -4.891 10.917 -22.267 415 3HZ LYS 19 3HZ LYS 19 -4.049 11.456 -23.640 416 H LYS 20 H LYS 20 0.727 12.878 -18.741 417 HA LYS 20 HA LYS 20 0.667 13.371 -15.969 418 1HB LYS 20 2HB LYS 20 2.875 11.768 -16.830 419 2HB LYS 20 1HB LYS 20 3.508 13.329 -16.311 420 1HG LYS 20 2HG LYS 20 1.452 11.954 -14.614 421 2HG LYS 20 1HG LYS 20 3.129 11.413 -14.540 422 1HD LYS 20 2HD LYS 20 3.420 13.080 -13.034 423 2HD LYS 20 1HD LYS 20 3.385 14.160 -14.428 424 1HE LYS 20 2HE LYS 20 0.685 13.698 -13.903 425 2HE LYS 20 1HE LYS 20 1.414 13.857 -12.292 426 1HZ LYS 20 1HZ LYS 20 2.279 15.924 -12.784 427 2HZ LYS 20 2HZ LYS 20 0.782 15.988 -13.585 428 3HZ LYS 20 3HZ LYS 20 2.205 15.686 -14.462 429 H ALA 21 H ALA 21 0.810 15.586 -15.713 430 HA ALA 21 HA ALA 21 2.582 17.219 -17.390 431 1HB ALA 21 1HB ALA 21 -0.434 17.198 -17.706 432 2HB ALA 21 2HB ALA 21 0.766 16.812 -18.939 433 3HB ALA 21 3HB ALA 21 0.602 18.469 -18.356 434 HA PRO 22 HA PRO 22 1.698 19.047 -13.302 435 1HB PRO 22 2HB PRO 22 4.212 20.077 -12.972 436 2HB PRO 22 1HB PRO 22 3.795 18.399 -12.570 437 1HG PRO 22 2HG PRO 22 5.188 19.482 -14.965 438 2HG PRO 22 1HG PRO 22 5.482 17.985 -14.066 439 1HD PRO 22 2HD PRO 22 4.138 18.090 -16.445 440 2HD PRO 22 1HD PRO 22 3.888 16.825 -15.221 441 H THR 23 H THR 23 0.870 21.111 -13.127 442 HA THR 23 HA THR 23 0.536 22.943 -15.152 443 HB THR 23 HB THR 23 0.653 24.617 -13.083 444 HG1 THR 23 HG1 THR 23 0.355 22.210 -11.693 445 1HG2 THR 23 1HG2 THR 23 -1.417 22.757 -12.388 446 2HG2 THR 23 2HG2 THR 23 -1.271 22.814 -14.145 447 3HG2 THR 23 3HG2 THR 23 -1.565 24.296 -13.236 448 H ASN 24 H ASN 24 1.814 24.445 -16.208 449 HA ASN 24 HA ASN 24 4.658 24.346 -16.083 450 1HB ASN 24 2HB ASN 24 2.830 26.574 -17.040 451 2HB ASN 24 1HB ASN 24 4.491 26.293 -17.565 452 1HD2 ASN 24 1HD2 ASN 24 1.937 26.200 -19.188 453 2HD2 ASN 24 2HD2 ASN 24 1.915 24.653 -19.886 454 H GLU 25 H GLU 25 6.085 26.221 -15.458 455 HA GLU 25 HA GLU 25 5.117 28.223 -13.582 456 1HB GLU 25 2HB GLU 25 5.394 25.663 -12.587 457 2HB GLU 25 1HB GLU 25 6.948 26.390 -12.181 458 1HG GLU 25 2HG GLU 25 4.828 28.271 -11.644 459 2HG GLU 25 1HG GLU 25 4.493 26.744 -10.827 460 H PHE 26 H PHE 26 6.886 29.623 -12.868 461 HA PHE 26 HA PHE 26 8.974 30.703 -13.137 462 1HB PHE 26 2HB PHE 26 9.395 27.974 -12.770 463 2HB PHE 26 1HB PHE 26 10.345 28.348 -14.209 464 HD1 PHE 26 HD1 PHE 26 12.392 29.526 -14.049 465 HD2 PHE 26 HD2 PHE 26 9.716 29.422 -10.691 466 HE1 PHE 26 HE1 PHE 26 14.131 30.583 -12.630 467 HE2 PHE 26 HE2 PHE 26 11.454 30.478 -9.272 468 HZ PHE 26 HZ PHE 26 13.662 31.058 -10.243 469 H TYR 27 H TYR 27 10.765 30.978 -14.958 470 HA TYR 27 HA TYR 27 9.507 30.618 -17.654 471 1HB TYR 27 2HB TYR 27 9.056 32.873 -16.891 472 2HB TYR 27 1HB TYR 27 10.734 33.087 -16.391 473 HD1 TYR 27 HD1 TYR 27 11.372 34.915 -17.796 474 HD2 TYR 27 HD2 TYR 27 9.570 31.405 -19.493 475 HE1 TYR 27 HE1 TYR 27 11.949 35.719 -20.070 476 HE2 TYR 27 HE2 TYR 27 10.146 32.209 -21.768 477 HH TYR 27 HH TYR 27 12.347 34.322 -22.465 478 H ALA 28 HN ALA 28 12.501 32.188 -16.498 479 HA ALA 28 HA ALA 28 14.765 31.704 -16.987 480 1HB ALA 28 1HB ALA 28 13.409 29.306 -16.492 481 2HB ALA 28 2HB ALA 28 15.160 29.518 -16.542 482 3HB ALA 28 3HB ALA 28 14.291 29.006 -17.990 Start of MODEL 15 1 1H ARG 1 1HT ARG 1 -25.441 -32.102 -29.098 2 2H ARG 1 2HT ARG 1 -25.719 -31.556 -30.682 3 3H ARG 1 3HT ARG 1 -26.830 -31.195 -29.448 4 HA ARG 1 HA ARG 1 -24.148 -30.043 -29.914 5 1HB ARG 1 2HB ARG 1 -27.001 -29.122 -29.500 6 2HB ARG 1 1HB ARG 1 -25.641 -27.999 -29.458 7 1HG ARG 1 2HG ARG 1 -25.241 -28.183 -31.710 8 2HG ARG 1 1HG ARG 1 -25.756 -29.869 -31.770 9 1HD ARG 1 2HD ARG 1 -28.004 -29.317 -32.015 10 2HD ARG 1 1HD ARG 1 -27.812 -27.753 -31.196 11 HE ARG 1 HE ARG 1 -26.240 -27.362 -33.358 12 1HH1 ARG 1 1HH1 ARG 1 -29.491 -28.345 -32.872 13 2HH1 ARG 1 2HH1 ARG 1 -29.960 -28.100 -34.521 14 1HH2 ARG 1 1HH2 ARG 1 -26.772 -27.234 -35.575 15 2HH2 ARG 1 2HH2 ARG 1 -28.421 -27.470 -36.052 16 H MET 2 H MET 2 -23.163 -31.030 -27.985 17 HA MET 2 HA MET 2 -24.062 -29.699 -25.459 18 1HB MET 2 2HB MET 2 -23.221 -32.593 -25.835 19 2HB MET 2 1HB MET 2 -23.684 -31.848 -24.304 20 1HG MET 2 2HG MET 2 -25.820 -32.390 -24.760 21 2HG MET 2 1HG MET 2 -25.769 -31.243 -26.098 22 1HE MET 2 1HE MET 2 -27.796 -33.849 -26.966 23 2HE MET 2 2HE MET 2 -27.155 -33.264 -28.498 24 3HE MET 2 3HE MET 2 -27.382 -32.140 -27.161 25 H LYS 3 H LYS 3 -22.287 -28.232 -25.518 26 HA LYS 3 HA LYS 3 -19.560 -29.484 -25.439 27 1HB LYS 3 2HB LYS 3 -20.758 -27.085 -26.692 28 2HB LYS 3 1HB LYS 3 -19.182 -26.821 -25.945 29 1HG LYS 3 2HG LYS 3 -18.481 -28.994 -27.194 30 2HG LYS 3 1HG LYS 3 -19.913 -28.700 -28.182 31 1HD LYS 3 2HD LYS 3 -19.095 -26.542 -28.866 32 2HD LYS 3 1HD LYS 3 -17.773 -26.613 -27.702 33 1HE LYS 3 2HE LYS 3 -16.734 -28.458 -28.910 34 2HE LYS 3 1HE LYS 3 -18.115 -28.548 -30.022 35 1HZ LYS 3 1HZ LYS 3 -16.117 -27.156 -30.751 36 2HZ LYS 3 2HZ LYS 3 -16.638 -26.022 -29.597 37 3HZ LYS 3 3HZ LYS 3 -17.652 -26.451 -30.890 38 H LYS 4 H LYS 4 -18.161 -28.823 -23.746 39 HA LYS 4 HA LYS 4 -19.282 -26.953 -21.700 40 1HB LYS 4 2HB LYS 4 -18.233 -29.773 -21.319 41 2HB LYS 4 1HB LYS 4 -18.535 -28.658 -19.986 42 1HG LYS 4 2HG LYS 4 -20.774 -28.969 -20.092 43 2HG LYS 4 1HG LYS 4 -20.787 -28.845 -21.852 44 1HD LYS 4 2HD LYS 4 -19.787 -31.196 -21.890 45 2HD LYS 4 1HD LYS 4 -20.178 -31.284 -20.172 46 1HE LYS 4 2HE LYS 4 -22.573 -30.660 -20.806 47 2HE LYS 4 1HE LYS 4 -22.101 -30.956 -22.492 48 1HZ LYS 4 1HZ LYS 4 -21.198 -33.133 -21.716 49 2HZ LYS 4 2HZ LYS 4 -22.889 -33.007 -21.618 50 3HZ LYS 4 3HZ LYS 4 -21.941 -32.857 -20.217 51 H LYS 5 H LYS 5 -17.218 -27.258 -19.831 52 HA LYS 5 HA LYS 5 -14.999 -26.566 -19.395 53 1HB LYS 5 2HB LYS 5 -14.497 -27.473 -22.241 54 2HB LYS 5 1HB LYS 5 -13.362 -27.480 -20.890 55 1HG LYS 5 2HG LYS 5 -15.894 -29.143 -21.030 56 2HG LYS 5 1HG LYS 5 -14.270 -29.749 -21.360 57 1HD LYS 5 2HD LYS 5 -13.626 -29.637 -19.140 58 2HD LYS 5 1HD LYS 5 -14.740 -28.319 -18.776 59 1HE LYS 5 2HE LYS 5 -16.026 -29.947 -17.815 60 2HE LYS 5 1HE LYS 5 -16.461 -30.371 -19.483 61 1HZ LYS 5 1HZ LYS 5 -14.094 -31.537 -19.310 62 2HZ LYS 5 2HZ LYS 5 -15.534 -32.336 -18.893 63 3HZ LYS 5 3HZ LYS 5 -14.557 -31.652 -17.684 64 H ASP 6 H ASP 6 -13.643 -24.721 -19.805 65 HA ASP 6 HA ASP 6 -13.621 -23.114 -22.138 66 1HB ASP 6 2HB ASP 6 -16.080 -23.084 -20.663 67 2HB ASP 6 1HB ASP 6 -15.333 -21.492 -20.527 68 H GLU 7 H GLU 7 -11.882 -21.778 -21.815 69 HA GLU 7 HA GLU 7 -11.495 -20.425 -19.214 70 1HB GLU 7 2HB GLU 7 -9.684 -22.560 -20.370 71 2HB GLU 7 1HB GLU 7 -9.137 -21.420 -19.141 72 1HG GLU 7 2HG GLU 7 -11.433 -23.383 -18.891 73 2HG GLU 7 1HG GLU 7 -9.893 -23.447 -18.032 74 H GLY 8 H GLY 8 -9.786 -18.767 -19.370 75 1HA GLY 8 2HA GLY 8 -8.396 -18.266 -21.854 76 2HA GLY 8 1HA GLY 8 -9.812 -17.223 -21.701 77 H SER 9 H SER 9 -7.552 -18.380 -19.195 78 HA SER 9 HA SER 9 -7.431 -15.811 -17.911 79 1HB SER 9 2HB SER 9 -6.883 -18.402 -17.270 80 2HB SER 9 1HB SER 9 -5.254 -17.777 -17.501 81 HG SER 9 HG SER 9 -6.879 -17.435 -15.433 82 H TYR 10 H TYR 10 -4.494 -15.903 -17.461 83 HA TYR 10 HA TYR 10 -2.535 -14.953 -18.387 84 1HB TYR 10 2HB TYR 10 -3.008 -16.964 -19.895 85 2HB TYR 10 1HB TYR 10 -3.751 -15.827 -21.020 86 HD1 TYR 10 HD1 TYR 10 -0.587 -16.549 -19.174 87 HD2 TYR 10 HD2 TYR 10 -2.428 -14.528 -22.488 88 HE1 TYR 10 HE1 TYR 10 1.653 -15.954 -20.056 89 HE2 TYR 10 HE2 TYR 10 -0.187 -13.933 -23.369 90 HH TYR 10 HH TYR 10 2.359 -15.217 -22.933 91 H ASP 11 H ASP 11 -5.441 -13.619 -18.553 92 HA ASP 11 HA ASP 11 -5.278 -11.719 -20.705 93 1HB ASP 11 2HB ASP 11 -7.141 -10.677 -19.491 94 2HB ASP 11 1HB ASP 11 -7.334 -12.430 -19.490 95 H LEU 12 H LEU 12 -5.911 -9.418 -18.836 96 HA LEU 12 HA LEU 12 -4.728 -7.590 -17.917 97 1HB LEU 12 2HB LEU 12 -3.030 -9.924 -16.971 98 2HB LEU 12 1HB LEU 12 -2.991 -8.298 -16.286 99 HG LEU 12 HG LEU 12 -5.446 -10.075 -16.390 100 1HD1 LEU 12 1HD1 LEU 12 -3.209 -9.946 -14.547 101 2HD1 LEU 12 2HD1 LEU 12 -4.576 -11.061 -14.560 102 3HD1 LEU 12 3HD1 LEU 12 -4.712 -9.508 -13.736 103 1HD2 LEU 12 1HD2 LEU 12 -5.943 -8.165 -14.529 104 2HD2 LEU 12 2HD2 LEU 12 -6.401 -7.997 -16.223 105 3HD2 LEU 12 3HD2 LEU 12 -4.917 -7.252 -15.634 106 H GLY 13 H GLY 13 -2.638 -6.388 -18.116 107 1HA GLY 13 2HA GLY 13 -1.118 -7.295 -20.527 108 2HA GLY 13 1HA GLY 13 -1.360 -5.602 -20.092 109 H LYS 14 H LYS 14 -0.474 -5.059 -17.798 110 HA LYS 14 HA LYS 14 1.700 -6.671 -16.763 111 1HB LYS 14 2HB LYS 14 2.141 -4.616 -18.862 112 2HB LYS 14 1HB LYS 14 3.292 -4.619 -17.526 113 1HG LYS 14 2HG LYS 14 3.115 -7.291 -18.056 114 2HG LYS 14 1HG LYS 14 2.891 -6.614 -19.669 115 1HD LYS 14 2HD LYS 14 5.021 -5.257 -18.213 116 2HD LYS 14 1HD LYS 14 5.332 -6.985 -18.372 117 1HE LYS 14 2HE LYS 14 4.312 -6.074 -20.881 118 2HE LYS 14 1HE LYS 14 5.610 -4.969 -20.385 119 1HZ LYS 14 1HZ LYS 14 7.128 -6.666 -20.222 120 2HZ LYS 14 2HZ LYS 14 6.200 -7.213 -21.536 121 3HZ LYS 14 3HZ LYS 14 5.949 -7.862 -19.986 122 H LYS 15 H LYS 15 2.179 -3.238 -16.942 123 HA LYS 15 HA LYS 15 0.849 -2.826 -14.304 124 1HB LYS 15 2HB LYS 15 3.724 -2.108 -14.958 125 2HB LYS 15 1HB LYS 15 2.923 -1.913 -13.399 126 1HG LYS 15 2HG LYS 15 3.923 -3.941 -12.995 127 2HG LYS 15 1HG LYS 15 2.459 -4.536 -13.781 128 1HD LYS 15 2HD LYS 15 3.578 -5.192 -15.652 129 2HD LYS 15 1HD LYS 15 4.633 -3.779 -15.632 130 1HE LYS 15 2HE LYS 15 6.211 -5.355 -15.033 131 2HE LYS 15 1HE LYS 15 5.539 -5.074 -13.415 132 1HZ LYS 15 1HZ LYS 15 4.857 -7.214 -15.341 133 2HZ LYS 15 2HZ LYS 15 3.793 -6.779 -14.090 134 3HZ LYS 15 3HZ LYS 15 5.343 -7.369 -13.723 135 HA PRO 16 HA PRO 16 -0.239 0.893 -16.462 136 1HB PRO 16 2HB PRO 16 -1.456 2.153 -14.360 137 2HB PRO 16 1HB PRO 16 -2.219 0.831 -15.268 138 1HG PRO 16 2HG PRO 16 -0.852 0.771 -12.625 139 2HG PRO 16 1HG PRO 16 -2.296 -0.096 -13.171 140 1HD PRO 16 2HD PRO 16 0.180 -1.237 -12.992 141 2HD PRO 16 1HD PRO 16 -1.081 -1.786 -14.119 142 H ILE 17 H ILE 17 0.462 3.121 -16.475 143 HA ILE 17 HA ILE 17 2.530 3.831 -14.433 144 HB ILE 17 HB ILE 17 2.747 4.477 -17.361 145 1HG1 ILE 17 2HG1 ILE 17 3.919 2.027 -16.017 146 2HG1 ILE 17 1HG1 ILE 17 2.482 1.983 -17.037 147 1HG2 ILE 17 1HG2 ILE 17 5.261 4.084 -16.409 148 2HG2 ILE 17 2HG2 ILE 17 4.447 4.634 -14.945 149 3HG2 ILE 17 3HG2 ILE 17 4.446 5.648 -16.388 150 1HD1 ILE 17 1HD1 ILE 17 4.282 1.439 -18.492 151 2HD1 ILE 17 2HD1 ILE 17 5.303 2.715 -17.830 152 3HD1 ILE 17 3HD1 ILE 17 3.912 3.130 -18.833 153 H TYR 18 H TYR 18 3.137 6.354 -15.129 154 HA TYR 18 HA TYR 18 0.879 7.948 -16.024 155 1HB TYR 18 2HB TYR 18 0.765 6.931 -13.427 156 2HB TYR 18 1HB TYR 18 1.340 8.584 -13.209 157 HD1 TYR 18 HD1 TYR 18 -0.879 7.274 -15.906 158 HD2 TYR 18 HD2 TYR 18 -0.579 9.704 -12.375 159 HE1 TYR 18 HE1 TYR 18 -3.174 8.128 -16.298 160 HE2 TYR 18 HE2 TYR 18 -2.873 10.558 -12.768 161 HH TYR 18 HH TYR 18 -4.600 9.892 -15.725 162 H LYS 19 H LYS 19 3.346 8.186 -17.000 163 HA LYS 19 HA LYS 19 4.315 10.762 -15.866 164 1HB LYS 19 2HB LYS 19 5.497 8.597 -14.983 165 2HB LYS 19 1HB LYS 19 6.252 8.567 -16.578 166 1HG LYS 19 2HG LYS 19 7.787 9.974 -15.687 167 2HG LYS 19 1HG LYS 19 6.538 11.210 -15.836 168 1HD LYS 19 2HD LYS 19 5.781 10.064 -13.499 169 2HD LYS 19 1HD LYS 19 7.523 9.800 -13.419 170 1HE LYS 19 2HE LYS 19 7.421 12.406 -14.281 171 2HE LYS 19 1HE LYS 19 6.008 12.323 -13.210 172 1HZ LYS 19 1HZ LYS 19 7.336 11.405 -11.479 173 2HZ LYS 19 2HZ LYS 19 8.141 12.793 -12.037 174 3HZ LYS 19 3HZ LYS 19 8.683 11.249 -12.497 175 H LYS 20 H LYS 20 3.796 11.930 -17.737 176 HA LYS 20 HA LYS 20 4.027 11.021 -20.424 177 1HB LYS 20 2HB LYS 20 3.556 13.472 -18.921 178 2HB LYS 20 1HB LYS 20 4.465 13.789 -20.399 179 1HG LYS 20 2HG LYS 20 2.530 11.978 -21.220 180 2HG LYS 20 1HG LYS 20 1.665 13.004 -20.076 181 1HD LYS 20 2HD LYS 20 1.417 14.244 -22.024 182 2HD LYS 20 1HD LYS 20 2.899 14.949 -21.377 183 1HE LYS 20 2HE LYS 20 3.845 12.774 -22.814 184 2HE LYS 20 1HE LYS 20 2.515 13.375 -23.823 185 1HZ LYS 20 1HZ LYS 20 4.331 14.709 -24.405 186 2HZ LYS 20 2HZ LYS 20 4.858 14.865 -22.797 187 3HZ LYS 20 3HZ LYS 20 3.452 15.667 -23.314 188 H ALA 21 H ALA 21 5.623 12.653 -21.866 189 HA ALA 21 HA ALA 21 8.387 12.149 -20.805 190 1HB ALA 21 1HB ALA 21 6.974 11.331 -23.211 191 2HB ALA 21 2HB ALA 21 8.533 10.780 -22.600 192 3HB ALA 21 3HB ALA 21 8.442 12.220 -23.613 193 HA PRO 22 HA PRO 22 7.656 16.636 -22.029 194 1HB PRO 22 2HB PRO 22 7.960 17.740 -19.543 195 2HB PRO 22 1HB PRO 22 6.390 17.208 -20.178 196 1HG PRO 22 2HG PRO 22 8.213 15.851 -18.260 197 2HG PRO 22 1HG PRO 22 6.444 15.925 -18.279 198 1HD PRO 22 2HD PRO 22 7.884 13.761 -19.126 199 2HD PRO 22 1HD PRO 22 6.257 14.161 -19.719 200 H THR 23 H THR 23 9.310 18.510 -21.008 201 HA THR 23 HA THR 23 11.879 17.716 -20.098 202 HB THR 23 HB THR 23 12.708 18.188 -22.700 203 HG1 THR 23 HG1 THR 23 10.416 17.933 -23.232 204 1HG2 THR 23 1HG2 THR 23 13.777 16.251 -22.283 205 2HG2 THR 23 2HG2 THR 23 12.256 15.360 -22.212 206 3HG2 THR 23 3HG2 THR 23 12.872 16.169 -20.771 207 H ASN 24 H ASN 24 13.168 19.561 -19.776 208 HA ASN 24 HA ASN 24 12.073 22.132 -20.878 209 1HB ASN 24 2HB ASN 24 12.033 21.356 -18.314 210 2HB ASN 24 1HB ASN 24 13.674 22.001 -18.356 211 1HD2 ASN 24 1HD2 ASN 24 12.408 23.590 -16.769 212 2HD2 ASN 24 2HD2 ASN 24 11.740 24.966 -17.506 213 H GLU 25 H GLU 25 13.917 23.899 -20.682 214 HA GLU 25 HA GLU 25 16.670 22.999 -20.945 215 1HB GLU 25 2HB GLU 25 15.173 22.416 -23.098 216 2HB GLU 25 1HB GLU 25 15.574 24.085 -23.503 217 1HG GLU 25 2HG GLU 25 17.815 23.635 -23.755 218 2HG GLU 25 1HG GLU 25 17.802 22.353 -22.542 219 H PHE 26 H PHE 26 17.168 25.202 -22.952 220 HA PHE 26 HA PHE 26 17.708 27.502 -22.867 221 1HB PHE 26 2HB PHE 26 15.133 27.360 -22.874 222 2HB PHE 26 1HB PHE 26 15.229 27.691 -21.143 223 HD1 PHE 26 HD1 PHE 26 16.049 29.019 -24.514 224 HD2 PHE 26 HD2 PHE 26 15.756 29.876 -20.315 225 HE1 PHE 26 HE1 PHE 26 16.313 31.438 -24.989 226 HE2 PHE 26 HE2 PHE 26 16.020 32.295 -20.790 227 HZ PHE 26 HZ PHE 26 16.297 33.077 -23.128 228 H TYR 27 H TYR 27 19.520 27.845 -21.602 229 HA TYR 27 HA TYR 27 19.580 27.317 -18.744 230 1HB TYR 27 2HB TYR 27 21.857 27.886 -18.972 231 2HB TYR 27 1HB TYR 27 21.442 27.279 -20.572 232 HD1 TYR 27 HD1 TYR 27 19.789 29.703 -21.471 233 HD2 TYR 27 HD2 TYR 27 23.637 29.370 -19.588 234 HE1 TYR 27 HE1 TYR 27 20.462 31.873 -22.461 235 HE2 TYR 27 HE2 TYR 27 24.308 31.541 -20.579 236 HH TYR 27 HH TYR 27 23.691 33.258 -21.833 237 H ALA 28 HN ALA 28 21.175 29.806 -18.207 238 HA ALA 28 HA ALA 28 18.851 31.620 -17.701 239 1HB ALA 28 1HB ALA 28 21.604 31.565 -16.433 240 2HB ALA 28 2HB ALA 28 20.238 30.628 -15.828 241 3HB ALA 28 3HB ALA 28 20.170 32.390 -15.824 242 1H ARG 1 1HT ARG 1 10.107 -38.225 -0.651 243 2H ARG 1 2HT ARG 1 10.634 -37.660 0.862 244 3H ARG 1 3HT ARG 1 11.759 -37.957 -0.375 245 HA ARG 1 HA ARG 1 9.831 -35.729 -0.126 246 1HB ARG 1 2HB ARG 1 12.793 -36.162 -0.572 247 2HB ARG 1 1HB ARG 1 12.037 -34.583 -0.785 248 1HG ARG 1 2HG ARG 1 11.657 -34.305 1.461 249 2HG ARG 1 1HG ARG 1 11.410 -36.030 1.738 250 1HD ARG 1 2HD ARG 1 13.687 -36.457 1.974 251 2HD ARG 1 1HD ARG 1 14.154 -35.071 0.969 252 HE ARG 1 HE ARG 1 12.955 -33.792 3.023 253 1HH1 ARG 1 1HH1 ARG 1 15.468 -36.111 2.748 254 2HH1 ARG 1 2HH1 ARG 1 16.042 -35.889 4.367 255 1HH2 ARG 1 1HH2 ARG 1 13.550 -33.634 5.223 256 2HH2 ARG 1 2HH2 ARG 1 14.955 -34.487 5.769 257 H MET 2 H MET 2 8.468 -36.432 -1.947 258 HA MET 2 HA MET 2 9.779 -35.923 -4.590 259 1HB MET 2 2HB MET 2 7.801 -38.119 -3.890 260 2HB MET 2 1HB MET 2 8.495 -37.832 -5.486 261 1HG MET 2 2HG MET 2 10.212 -39.169 -4.910 262 2HG MET 2 1HG MET 2 10.687 -37.955 -3.722 263 1HE MET 2 1HE MET 2 11.442 -41.049 -2.492 264 2HE MET 2 2HE MET 2 11.151 -40.066 -1.059 265 3HE MET 2 3HE MET 2 11.797 -39.316 -2.516 266 H LYS 3 H LYS 3 8.795 -33.848 -4.757 267 HA LYS 3 HA LYS 3 5.794 -33.826 -4.758 268 1HB LYS 3 2HB LYS 3 7.929 -32.028 -3.773 269 2HB LYS 3 1HB LYS 3 6.593 -31.213 -4.589 270 1HG LYS 3 2HG LYS 3 5.071 -32.716 -3.105 271 2HG LYS 3 1HG LYS 3 6.518 -32.939 -2.122 272 1HD LYS 3 2HD LYS 3 6.712 -30.573 -1.726 273 2HD LYS 3 1HD LYS 3 5.452 -30.217 -2.909 274 1HE LYS 3 2HE LYS 3 3.763 -31.286 -1.514 275 2HE LYS 3 1HE LYS 3 5.006 -31.817 -0.363 276 1HZ LYS 3 1HZ LYS 3 3.806 -29.633 0.137 277 2HZ LYS 3 2HZ LYS 3 4.727 -28.975 -1.130 278 3HZ LYS 3 3HZ LYS 3 5.499 -29.634 0.232 279 H LYS 4 H LYS 4 4.761 -32.844 -6.556 280 HA LYS 4 HA LYS 4 6.513 -31.888 -8.783 281 1HB LYS 4 2HB LYS 4 4.358 -34.021 -8.847 282 2HB LYS 4 1HB LYS 4 5.067 -33.310 -10.297 283 1HG LYS 4 2HG LYS 4 6.966 -34.525 -10.093 284 2HG LYS 4 1HG LYS 4 7.079 -34.207 -8.361 285 1HD LYS 4 2HD LYS 4 5.177 -35.888 -8.067 286 2HD LYS 4 1HD LYS 4 5.447 -36.341 -9.749 287 1HE LYS 4 2HE LYS 4 7.898 -36.719 -9.131 288 2HE LYS 4 1HE LYS 4 7.390 -36.580 -7.435 289 1HZ LYS 4 1HZ LYS 4 5.629 -38.246 -7.965 290 2HZ LYS 4 2HZ LYS 4 7.212 -38.862 -8.033 291 3HZ LYS 4 3HZ LYS 4 6.378 -38.494 -9.467 292 H LYS 5 H LYS 5 4.464 -31.515 -10.656 293 HA LYS 5 HA LYS 5 2.737 -30.006 -11.232 294 1HB LYS 5 2HB LYS 5 1.975 -30.262 -8.312 295 2HB LYS 5 1HB LYS 5 0.908 -29.951 -9.682 296 1HG LYS 5 2HG LYS 5 2.499 -32.500 -9.273 297 2HG LYS 5 1HG LYS 5 0.782 -32.315 -8.917 298 1HD LYS 5 2HD LYS 5 0.186 -32.211 -11.150 299 2HD LYS 5 1HD LYS 5 1.742 -31.544 -11.641 300 1HE LYS 5 2HE LYS 5 2.192 -33.667 -12.362 301 2HE LYS 5 1HE LYS 5 2.450 -34.030 -10.644 302 1HZ LYS 5 1HZ LYS 5 -0.191 -34.095 -10.738 303 2HZ LYS 5 2HZ LYS 5 0.763 -35.472 -11.016 304 3HZ LYS 5 3HZ LYS 5 0.136 -34.591 -12.326 305 H ASP 6 H ASP 6 2.302 -27.725 -11.085 306 HA ASP 6 HA ASP 6 3.026 -25.990 -8.966 307 1HB ASP 6 2HB ASP 6 5.226 -27.185 -10.366 308 2HB ASP 6 1HB ASP 6 5.219 -25.455 -10.715 309 H GLU 7 H GLU 7 2.010 -24.094 -9.494 310 HA GLU 7 HA GLU 7 2.162 -23.030 -12.251 311 1HB GLU 7 2HB GLU 7 -0.350 -24.039 -10.894 312 2HB GLU 7 1HB GLU 7 -0.397 -22.933 -12.267 313 1HG GLU 7 2HG GLU 7 0.843 -25.698 -12.214 314 2HG GLU 7 1HG GLU 7 -0.601 -25.207 -13.100 315 H GLY 8 H GLY 8 1.321 -20.798 -12.342 316 1HA GLY 8 2HA GLY 8 0.343 -19.459 -9.977 317 2HA GLY 8 1HA GLY 8 2.062 -19.142 -10.215 318 H SER 9 H SER 9 -0.542 -19.526 -12.623 319 HA SER 9 HA SER 9 0.402 -17.325 -14.212 320 1HB SER 9 2HB SER 9 -1.209 -19.496 -14.549 321 2HB SER 9 1HB SER 9 -2.413 -18.216 -14.439 322 HG SER 9 HG SER 9 -0.852 -18.848 -16.489 323 H TYR 10 H TYR 10 -2.308 -16.216 -14.726 324 HA TYR 10 HA TYR 10 -3.653 -14.422 -13.976 325 1HB TYR 10 2HB TYR 10 -4.038 -16.245 -12.223 326 2HB TYR 10 1HB TYR 10 -2.852 -15.402 -11.225 327 HD1 TYR 10 HD1 TYR 10 -6.073 -14.934 -13.054 328 HD2 TYR 10 HD2 TYR 10 -3.460 -13.498 -9.962 329 HE1 TYR 10 HE1 TYR 10 -7.825 -13.343 -12.312 330 HE2 TYR 10 HE2 TYR 10 -5.212 -11.907 -9.220 331 HH TYR 10 HH TYR 10 -8.073 -12.035 -9.566 332 H ASP 11 H ASP 11 -0.454 -14.435 -13.894 333 HA ASP 11 HA ASP 11 0.263 -12.401 -11.995 334 1HB ASP 11 2HB ASP 11 2.359 -12.401 -13.274 335 2HB ASP 11 1HB ASP 11 1.790 -14.057 -13.058 336 H LEU 12 H LEU 12 1.760 -10.829 -14.109 337 HA LEU 12 HA LEU 12 1.438 -8.798 -15.275 338 1HB LEU 12 2HB LEU 12 -1.113 -10.289 -15.977 339 2HB LEU 12 1HB LEU 12 -0.479 -8.895 -16.854 340 HG LEU 12 HG LEU 12 0.994 -11.519 -16.469 341 1HD1 LEU 12 1HD1 LEU 12 -1.026 -10.679 -18.374 342 2HD1 LEU 12 2HD1 LEU 12 -0.261 -12.257 -18.190 343 3HD1 LEU 12 3HD1 LEU 12 0.498 -11.020 -19.192 344 1HD2 LEU 12 1HD2 LEU 12 2.203 -10.240 -18.535 345 2HD2 LEU 12 2HD2 LEU 12 2.736 -10.079 -16.861 346 3HD2 LEU 12 3HD2 LEU 12 1.691 -8.850 -17.576 347 H GLY 13 H GLY 13 0.061 -6.809 -15.279 348 1HA GLY 13 2HA GLY 13 -1.633 -6.687 -12.819 349 2HA GLY 13 1HA GLY 13 -0.710 -5.324 -13.449 350 H LYS 14 H LYS 14 -1.343 -4.739 -15.814 351 HA LYS 14 HA LYS 14 -4.022 -5.389 -16.706 352 1HB LYS 14 2HB LYS 14 -3.495 -3.104 -14.883 353 2HB LYS 14 1HB LYS 14 -4.573 -2.781 -16.241 354 1HG LYS 14 2HG LYS 14 -5.532 -5.190 -15.386 355 2HG LYS 14 1HG LYS 14 -4.998 -4.481 -13.860 356 1HD LYS 14 2HD LYS 14 -6.391 -2.537 -15.527 357 2HD LYS 14 1HD LYS 14 -7.401 -3.938 -15.170 358 1HE LYS 14 2HE LYS 14 -6.023 -3.247 -12.763 359 2HE LYS 14 1HE LYS 14 -6.744 -1.766 -13.424 360 1HZ LYS 14 1HZ LYS 14 -8.842 -2.666 -13.421 361 2HZ LYS 14 2HZ LYS 14 -8.198 -3.391 -12.025 362 3HZ LYS 14 3HZ LYS 14 -8.287 -4.267 -13.477 363 H LYS 15 H LYS 15 -2.997 -2.083 -16.957 364 HA LYS 15 HA LYS 15 -1.689 -2.598 -19.588 365 1HB LYS 15 2HB LYS 15 -3.971 -0.655 -19.104 366 2HB LYS 15 1HB LYS 15 -3.205 -1.009 -20.653 367 1HG LYS 15 2HG LYS 15 -4.980 -2.454 -20.835 368 2HG LYS 15 1HG LYS 15 -3.887 -3.513 -19.944 369 1HD LYS 15 2HD LYS 15 -5.126 -3.400 -18.038 370 2HD LYS 15 1HD LYS 15 -5.484 -1.687 -18.257 371 1HE LYS 15 2HE LYS 15 -7.596 -2.506 -18.703 372 2HE LYS 15 1HE LYS 15 -6.912 -2.736 -20.324 373 1HZ LYS 15 1HZ LYS 15 -7.150 -4.712 -18.137 374 2HZ LYS 15 2HZ LYS 15 -6.035 -4.923 -19.401 375 3HZ LYS 15 3HZ LYS 15 -7.698 -4.841 -19.736 376 HA PRO 16 HA PRO 16 0.930 0.542 -17.868 377 1HB PRO 16 2HB PRO 16 2.509 0.903 -20.073 378 2HB PRO 16 1HB PRO 16 2.663 -0.497 -18.992 379 1HG PRO 16 2HG PRO 16 1.330 -0.292 -21.643 380 2HG PRO 16 1HG PRO 16 2.284 -1.616 -20.958 381 1HD PRO 16 2HD PRO 16 -0.445 -1.613 -21.064 382 2HD PRO 16 1HD PRO 16 0.494 -2.503 -19.845 383 H ILE 17 H ILE 17 1.240 2.841 -18.143 384 HA ILE 17 HA ILE 17 -0.387 4.107 -20.312 385 HB ILE 17 HB ILE 17 -0.231 5.134 -17.491 386 1HG1 ILE 17 2HG1 ILE 17 -2.367 3.267 -18.558 387 2HG1 ILE 17 1HG1 ILE 17 -1.055 2.744 -17.503 388 1HG2 ILE 17 1HG2 ILE 17 -2.699 5.731 -18.455 389 2HG2 ILE 17 2HG2 ILE 17 -1.769 5.703 -19.954 390 3HG2 ILE 17 3HG2 ILE 17 -1.299 6.787 -18.644 391 1HD1 ILE 17 1HD1 ILE 17 -2.876 3.194 -16.041 392 2HD1 ILE 17 2HD1 ILE 17 -3.278 4.692 -16.880 393 3HD1 ILE 17 3HD1 ILE 17 -1.816 4.596 -15.899 394 H TYR 18 H TYR 18 0.151 6.713 -19.943 395 HA TYR 18 HA TYR 18 2.894 7.296 -19.187 396 1HB TYR 18 2HB TYR 18 2.497 6.020 -21.638 397 2HB TYR 18 1HB TYR 18 2.671 7.721 -22.071 398 HD1 TYR 18 HD1 TYR 18 4.198 5.932 -19.175 399 HD2 TYR 18 HD2 TYR 18 4.860 7.812 -22.981 400 HE1 TYR 18 HE1 TYR 18 6.648 5.773 -18.827 401 HE2 TYR 18 HE2 TYR 18 7.310 7.654 -22.632 402 HH TYR 18 HH TYR 18 8.672 6.682 -19.571 403 H LYS 19 H LYS 19 0.789 8.674 -18.315 404 HA LYS 19 HA LYS 19 0.973 11.259 -19.778 405 1HB LYS 19 2HB LYS 19 -1.039 9.709 -20.423 406 2HB LYS 19 1HB LYS 19 -1.692 10.195 -18.858 407 1HG LYS 19 2HG LYS 19 -2.510 12.001 -19.954 408 2HG LYS 19 1HG LYS 19 -0.851 12.599 -19.923 409 1HD LYS 19 2HD LYS 19 -0.715 10.967 -22.081 410 2HD LYS 19 1HD LYS 19 -2.406 11.458 -22.177 411 1HE LYS 19 2HE LYS 19 -1.185 13.858 -21.633 412 2HE LYS 19 1HE LYS 19 0.030 13.056 -22.648 413 1HZ LYS 19 1HZ LYS 19 -1.609 12.585 -24.291 414 2HZ LYS 19 2HZ LYS 19 -1.733 14.239 -23.927 415 3HZ LYS 19 3HZ LYS 19 -2.866 13.139 -23.299 416 H LYS 20 H LYS 20 1.988 12.315 -18.048 417 HA LYS 20 HA LYS 20 1.467 11.920 -15.279 418 1HB LYS 20 2HB LYS 20 2.892 13.740 -17.054 419 2HB LYS 20 1HB LYS 20 2.242 14.588 -15.651 420 1HG LYS 20 2HG LYS 20 3.249 12.242 -14.563 421 2HG LYS 20 1HG LYS 20 4.436 12.658 -15.800 422 1HD LYS 20 2HD LYS 20 5.238 13.902 -14.012 423 2HD LYS 20 1HD LYS 20 4.177 15.085 -14.778 424 1HE LYS 20 2HE LYS 20 2.437 13.708 -13.115 425 2HE LYS 20 1HE LYS 20 3.925 13.806 -12.150 426 1HZ LYS 20 1HZ LYS 20 2.862 15.843 -11.785 427 2HZ LYS 20 2HZ LYS 20 2.407 16.012 -13.413 428 3HZ LYS 20 3HZ LYS 20 4.034 16.198 -12.958 429 H ALA 21 H ALA 21 0.752 14.238 -14.089 430 HA ALA 21 HA ALA 21 -1.993 14.828 -15.155 431 1HB ALA 21 1HB ALA 21 -0.995 13.786 -12.630 432 2HB ALA 21 2HB ALA 21 -2.657 13.878 -13.212 433 3HB ALA 21 3HB ALA 21 -1.937 15.255 -12.379 434 HA PRO 22 HA PRO 22 0.604 18.694 -14.465 435 1HB PRO 22 2HB PRO 22 0.730 19.512 -17.072 436 2HB PRO 22 1HB PRO 22 1.942 18.447 -16.336 437 1HG PRO 22 2HG PRO 22 -0.336 17.768 -18.124 438 2HG PRO 22 1HG PRO 22 1.298 17.088 -18.067 439 1HD PRO 22 2HD PRO 22 -0.900 15.858 -17.003 440 2HD PRO 22 1HD PRO 22 0.759 15.599 -16.419 441 H THR 23 H THR 23 -0.127 20.952 -15.750 442 HA THR 23 HA THR 23 -2.815 21.219 -16.626 443 HB THR 23 HB THR 23 -3.294 22.308 -14.123 444 HG1 THR 23 HG1 THR 23 -1.313 21.173 -13.503 445 1HG2 THR 23 1HG2 THR 23 -5.094 20.972 -14.332 446 2HG2 THR 23 2HG2 THR 23 -4.097 19.520 -14.253 447 3HG2 THR 23 3HG2 THR 23 -4.351 20.332 -15.798 448 H ASN 24 H ASN 24 -3.208 23.382 -17.204 449 HA ASN 24 HA ASN 24 -1.098 25.358 -16.392 450 1HB ASN 24 2HB ASN 24 -1.459 24.334 -18.841 451 2HB ASN 24 1HB ASN 24 -2.671 25.615 -18.921 452 1HD2 ASN 24 1HD2 ASN 24 -0.894 26.312 -20.654 453 2HD2 ASN 24 2HD2 ASN 24 0.314 27.354 -20.072 454 H GLU 25 H GLU 25 -2.023 27.704 -16.850 455 HA GLU 25 HA GLU 25 -4.890 28.094 -16.554 456 1HB GLU 25 2HB GLU 25 -3.725 27.197 -14.307 457 2HB GLU 25 1HB GLU 25 -3.369 28.915 -14.118 458 1HG GLU 25 2HG GLU 25 -5.582 29.490 -13.875 459 2HG GLU 25 1HG GLU 25 -6.145 28.187 -14.922 460 H PHE 26 H PHE 26 -4.353 30.525 -14.843 461 HA PHE 26 HA PHE 26 -3.871 32.808 -15.222 462 1HB PHE 26 2HB PHE 26 -1.599 31.591 -15.128 463 2HB PHE 26 1HB PHE 26 -1.593 31.719 -16.888 464 HD1 PHE 26 HD1 PHE 26 -1.681 33.666 -13.726 465 HD2 PHE 26 HD2 PHE 26 -1.166 33.803 -17.988 466 HE1 PHE 26 HE1 PHE 26 -0.881 36.007 -13.554 467 HE2 PHE 26 HE2 PHE 26 -0.367 36.144 -17.817 468 HZ PHE 26 HZ PHE 26 -0.224 37.247 -15.600 469 H TYR 27 H TYR 27 -5.400 33.731 -16.567 470 HA TYR 27 HA TYR 27 -5.755 32.937 -19.340 471 1HB TYR 27 2HB TYR 27 -7.569 34.440 -19.246 472 2HB TYR 27 1HB TYR 27 -7.407 33.913 -17.573 473 HD1 TYR 27 HD1 TYR 27 -4.859 35.498 -16.930 474 HD2 TYR 27 HD2 TYR 27 -8.535 36.601 -18.862 475 HE1 TYR 27 HE1 TYR 27 -4.522 37.850 -16.228 476 HE2 TYR 27 HE2 TYR 27 -8.196 38.954 -18.159 477 HH TYR 27 HH TYR 27 -6.876 40.385 -17.106 478 H ALA 28 HN ALA 28 -6.158 35.782 -20.218 479 HA ALA 28 HA ALA 28 -3.299 36.364 -20.876 480 1HB ALA 28 1HB ALA 28 -5.851 37.327 -22.204 481 2HB ALA 28 2HB ALA 28 -5.028 35.834 -22.654 482 3HB ALA 28 3HB ALA 28 -4.219 37.386 -22.869 Start of MODEL 16 1 1H ARG 1 1HT ARG 1 11.308 -27.921 -28.324 2 2H ARG 1 2HT ARG 1 10.745 -27.010 -29.643 3 3H ARG 1 3HT ARG 1 10.184 -28.595 -29.401 4 HA ARG 1 HA ARG 1 9.044 -27.944 -27.383 5 1HB ARG 1 2HB ARG 1 9.251 -25.646 -26.611 6 2HB ARG 1 1HB ARG 1 10.874 -26.292 -26.857 7 1HG ARG 1 2HG ARG 1 9.940 -25.178 -29.332 8 2HG ARG 1 1HG ARG 1 9.724 -23.983 -28.053 9 1HD ARG 1 2HD ARG 1 12.307 -25.466 -28.671 10 2HD ARG 1 1HD ARG 1 11.979 -23.753 -29.003 11 HE ARG 1 HE ARG 1 12.232 -24.954 -26.287 12 1HH1 ARG 1 1HH1 ARG 1 10.244 -22.618 -26.736 13 2HH1 ARG 1 2HH1 ARG 1 11.228 -21.279 -26.244 14 1HH2 ARG 1 1HH2 ARG 1 14.193 -23.074 -26.360 15 2HH2 ARG 1 2HH2 ARG 1 13.463 -21.538 -26.031 16 H MET 2 H MET 2 8.939 -27.721 -30.551 17 HA MET 2 HA MET 2 6.740 -25.777 -30.890 18 1HB MET 2 2HB MET 2 8.350 -27.632 -32.648 19 2HB MET 2 1HB MET 2 6.937 -26.782 -33.275 20 1HG MET 2 2HG MET 2 7.912 -24.629 -32.691 21 2HG MET 2 1HG MET 2 9.285 -25.426 -31.920 22 1HE MET 2 1HE MET 2 11.753 -26.063 -34.456 23 2HE MET 2 2HE MET 2 10.905 -27.226 -33.439 24 3HE MET 2 3HE MET 2 11.280 -25.625 -32.808 25 H LYS 3 H LYS 3 4.576 -26.362 -31.178 26 HA LYS 3 HA LYS 3 2.651 -27.727 -31.033 27 1HB LYS 3 2HB LYS 3 4.691 -29.549 -32.347 28 2HB LYS 3 1HB LYS 3 2.970 -29.927 -32.244 29 1HG LYS 3 2HG LYS 3 2.501 -28.570 -33.978 30 2HG LYS 3 1HG LYS 3 3.365 -27.229 -33.228 31 1HD LYS 3 2HD LYS 3 5.230 -27.583 -34.470 32 2HD LYS 3 1HD LYS 3 5.129 -29.333 -34.283 33 1HE LYS 3 2HE LYS 3 2.995 -28.954 -35.900 34 2HE LYS 3 1HE LYS 3 4.015 -27.602 -36.431 35 1HZ LYS 3 1HZ LYS 3 4.601 -30.486 -36.450 36 2HZ LYS 3 2HZ LYS 3 5.881 -29.379 -36.293 37 3HZ LYS 3 3HZ LYS 3 4.875 -29.330 -37.661 38 H LYS 4 H LYS 4 2.856 -27.737 -28.638 39 HA LYS 4 HA LYS 4 3.576 -30.461 -27.614 40 1HB LYS 4 2HB LYS 4 4.382 -29.135 -25.556 41 2HB LYS 4 1HB LYS 4 5.389 -29.035 -27.001 42 1HG LYS 4 2HG LYS 4 4.971 -26.825 -27.276 43 2HG LYS 4 1HG LYS 4 3.253 -27.019 -26.927 44 1HD LYS 4 2HD LYS 4 3.654 -27.000 -24.553 45 2HD LYS 4 1HD LYS 4 5.400 -27.083 -24.792 46 1HE LYS 4 2HE LYS 4 5.550 -24.834 -25.073 47 2HE LYS 4 1HE LYS 4 4.189 -24.820 -26.211 48 1HZ LYS 4 1HZ LYS 4 2.661 -24.631 -24.541 49 2HZ LYS 4 2HZ LYS 4 3.944 -23.771 -23.835 50 3HZ LYS 4 3HZ LYS 4 3.648 -25.381 -23.385 51 H LYS 5 H LYS 5 1.149 -28.271 -28.072 52 HA LYS 5 HA LYS 5 -1.007 -28.048 -27.130 53 1HB LYS 5 2HB LYS 5 -0.239 -30.681 -27.043 54 2HB LYS 5 1HB LYS 5 -0.613 -30.372 -25.347 55 1HG LYS 5 2HG LYS 5 -2.820 -29.438 -26.037 56 2HG LYS 5 1HG LYS 5 -2.449 -29.869 -27.708 57 1HD LYS 5 2HD LYS 5 -1.936 -32.227 -26.391 58 2HD LYS 5 1HD LYS 5 -3.300 -31.588 -25.474 59 1HE LYS 5 2HE LYS 5 -4.446 -32.693 -27.175 60 2HE LYS 5 1HE LYS 5 -4.241 -31.106 -27.942 61 1HZ LYS 5 1HZ LYS 5 -2.191 -31.862 -28.935 62 2HZ LYS 5 2HZ LYS 5 -3.445 -32.922 -29.368 63 3HZ LYS 5 3HZ LYS 5 -2.327 -33.369 -28.170 64 H ASP 6 H ASP 6 -1.540 -29.092 -24.338 65 HA ASP 6 HA ASP 6 -1.370 -28.319 -22.107 66 1HB ASP 6 2HB ASP 6 1.092 -28.788 -22.810 67 2HB ASP 6 1HB ASP 6 1.228 -27.035 -22.952 68 H GLU 7 H GLU 7 -1.982 -26.403 -21.015 69 HA GLU 7 HA GLU 7 -1.501 -23.739 -21.977 70 1HB GLU 7 2HB GLU 7 -3.758 -23.320 -22.925 71 2HB GLU 7 1HB GLU 7 -2.905 -24.572 -23.828 72 1HG GLU 7 2HG GLU 7 -4.118 -26.136 -22.012 73 2HG GLU 7 1HG GLU 7 -5.279 -24.808 -22.045 74 H GLY 8 H GLY 8 -1.435 -22.908 -19.906 75 1HA GLY 8 2HA GLY 8 -3.408 -23.773 -17.896 76 2HA GLY 8 1HA GLY 8 -2.053 -22.680 -17.612 77 H SER 9 H SER 9 -2.289 -20.442 -18.285 78 HA SER 9 HA SER 9 -4.779 -19.440 -19.362 79 1HB SER 9 2HB SER 9 -4.757 -20.163 -16.661 80 2HB SER 9 1HB SER 9 -4.560 -18.413 -16.641 81 HG SER 9 HG SER 9 -6.556 -19.865 -18.053 82 H TYR 10 H TYR 10 -4.804 -16.966 -19.200 83 HA TYR 10 HA TYR 10 -2.473 -15.508 -18.349 84 1HB TYR 10 2HB TYR 10 -1.311 -16.691 -20.067 85 2HB TYR 10 1HB TYR 10 -2.647 -16.497 -21.202 86 HD1 TYR 10 HD1 TYR 10 -0.591 -14.241 -19.007 87 HD2 TYR 10 HD2 TYR 10 -2.251 -14.965 -22.902 88 HE1 TYR 10 HE1 TYR 10 0.410 -12.126 -19.827 89 HE2 TYR 10 HE2 TYR 10 -1.250 -12.849 -23.721 90 HH TYR 10 HH TYR 10 1.143 -11.317 -22.402 91 H ASP 11 H ASP 11 -2.916 -13.293 -18.479 92 HA ASP 11 HA ASP 11 -4.728 -12.151 -20.424 93 1HB ASP 11 2HB ASP 11 -5.703 -13.266 -17.892 94 2HB ASP 11 1HB ASP 11 -6.189 -11.587 -18.136 95 H LEU 12 H LEU 12 -5.620 -9.957 -18.865 96 HA LEU 12 HA LEU 12 -4.843 -7.857 -18.107 97 1HB LEU 12 2HB LEU 12 -2.897 -9.798 -16.823 98 2HB LEU 12 1HB LEU 12 -3.015 -8.095 -16.380 99 HG LEU 12 HG LEU 12 -5.659 -9.055 -16.354 100 1HD1 LEU 12 1HD1 LEU 12 -4.826 -11.351 -16.332 101 2HD1 LEU 12 2HD1 LEU 12 -5.472 -10.950 -14.741 102 3HD1 LEU 12 3HD1 LEU 12 -3.729 -10.967 -15.006 103 1HD2 LEU 12 1HD2 LEU 12 -5.285 -8.802 -13.821 104 2HD2 LEU 12 2HD2 LEU 12 -4.933 -7.389 -14.815 105 3HD2 LEU 12 3HD2 LEU 12 -3.616 -8.401 -14.223 106 H GLY 13 H GLY 13 -2.956 -6.331 -18.309 107 1HA GLY 13 2HA GLY 13 -1.396 -6.989 -20.740 108 2HA GLY 13 1HA GLY 13 -1.586 -5.380 -20.044 109 H LYS 14 H LYS 14 -0.447 -4.998 -17.939 110 HA LYS 14 HA LYS 14 1.616 -6.825 -17.055 111 1HB LYS 14 2HB LYS 14 2.559 -6.159 -19.209 112 2HB LYS 14 1HB LYS 14 2.348 -4.457 -18.800 113 1HG LYS 14 2HG LYS 14 4.417 -4.500 -17.911 114 2HG LYS 14 1HG LYS 14 3.777 -5.549 -16.644 115 1HD LYS 14 2HD LYS 14 4.485 -7.505 -17.723 116 2HD LYS 14 1HD LYS 14 4.588 -6.713 -19.297 117 1HE LYS 14 2HE LYS 14 6.691 -5.877 -18.884 118 2HE LYS 14 1HE LYS 14 6.360 -5.627 -17.158 119 1HZ LYS 14 1HZ LYS 14 7.840 -7.632 -17.999 120 2HZ LYS 14 2HZ LYS 14 6.319 -8.372 -18.164 121 3HZ LYS 14 3HZ LYS 14 6.820 -7.780 -16.652 122 H LYS 15 H LYS 15 2.547 -3.507 -17.168 123 HA LYS 15 HA LYS 15 1.539 -3.123 -14.369 124 1HB LYS 15 2HB LYS 15 4.181 -2.386 -15.667 125 2HB LYS 15 1HB LYS 15 3.708 -1.888 -14.042 126 1HG LYS 15 2HG LYS 15 3.731 -4.101 -13.225 127 2HG LYS 15 1HG LYS 15 3.658 -4.793 -14.847 128 1HD LYS 15 2HD LYS 15 5.940 -3.663 -15.240 129 2HD LYS 15 1HD LYS 15 6.002 -3.463 -13.488 130 1HE LYS 15 2HE LYS 15 5.198 -6.157 -14.010 131 2HE LYS 15 1HE LYS 15 6.631 -5.811 -14.999 132 1HZ LYS 15 1HZ LYS 15 6.309 -5.647 -12.081 133 2HZ LYS 15 2HZ LYS 15 7.411 -4.606 -12.848 134 3HZ LYS 15 3HZ LYS 15 7.594 -6.290 -12.983 135 HA PRO 16 HA PRO 16 -0.248 0.452 -16.362 136 1HB PRO 16 2HB PRO 16 -1.498 1.429 -14.131 137 2HB PRO 16 1HB PRO 16 -2.132 0.065 -15.075 138 1HG PRO 16 2HG PRO 16 -0.626 0.053 -12.511 139 2HG PRO 16 1HG PRO 16 -1.968 -0.974 -13.037 140 1HD PRO 16 2HD PRO 16 0.648 -1.769 -13.043 141 2HD PRO 16 1HD PRO 16 -0.591 -2.434 -14.130 142 H ILE 17 H ILE 17 1.439 1.892 -16.783 143 HA ILE 17 HA ILE 17 2.932 3.130 -14.553 144 HB ILE 17 HB ILE 17 3.164 3.699 -17.495 145 1HG1 ILE 17 2HG1 ILE 17 5.062 1.763 -16.929 146 2HG1 ILE 17 1HG1 ILE 17 3.637 1.181 -16.069 147 1HG2 ILE 17 1HG2 ILE 17 5.678 3.559 -16.427 148 2HG2 ILE 17 2HG2 ILE 17 4.750 4.162 -15.054 149 3HG2 ILE 17 3HG2 ILE 17 4.746 5.050 -16.578 150 1HD1 ILE 17 1HD1 ILE 17 3.051 2.204 -18.763 151 2HD1 ILE 17 2HD1 ILE 17 2.528 0.707 -17.990 152 3HD1 ILE 17 3HD1 ILE 17 4.116 0.798 -18.754 153 H TYR 18 H TYR 18 3.372 5.650 -15.126 154 HA TYR 18 HA TYR 18 1.022 7.083 -16.135 155 1HB TYR 18 2HB TYR 18 1.088 6.173 -13.466 156 2HB TYR 18 1HB TYR 18 1.435 7.900 -13.383 157 HD1 TYR 18 HD1 TYR 18 -1.009 5.361 -14.523 158 HD2 TYR 18 HD2 TYR 18 -0.220 9.549 -13.979 159 HE1 TYR 18 HE1 TYR 18 -3.405 5.864 -14.920 160 HE2 TYR 18 HE2 TYR 18 -2.616 10.051 -14.376 161 HH TYR 18 HH TYR 18 -4.628 8.371 -15.840 162 H LYS 19 H LYS 19 3.208 7.652 -17.312 163 HA LYS 19 HA LYS 19 4.365 10.054 -15.944 164 1HB LYS 19 2HB LYS 19 5.662 7.688 -16.192 165 2HB LYS 19 1HB LYS 19 6.090 8.424 -17.737 166 1HG LYS 19 2HG LYS 19 7.499 9.888 -16.752 167 2HG LYS 19 1HG LYS 19 6.304 10.320 -15.528 168 1HD LYS 19 2HD LYS 19 6.913 8.468 -14.144 169 2HD LYS 19 1HD LYS 19 7.870 7.734 -15.432 170 1HE LYS 19 2HE LYS 19 9.173 10.063 -15.311 171 2HE LYS 19 1HE LYS 19 8.557 10.033 -13.646 172 1HZ LYS 19 1HZ LYS 19 10.160 7.953 -15.023 173 2HZ LYS 19 2HZ LYS 19 9.329 7.661 -13.571 174 3HZ LYS 19 3HZ LYS 19 10.571 8.819 -13.624 175 H LYS 20 H LYS 20 4.765 11.804 -17.350 176 HA LYS 20 HA LYS 20 5.009 11.746 -20.157 177 1HB LYS 20 2HB LYS 20 2.407 11.066 -19.187 178 2HB LYS 20 1HB LYS 20 2.290 12.630 -19.994 179 1HG LYS 20 2HG LYS 20 3.753 11.461 -21.844 180 2HG LYS 20 1HG LYS 20 3.129 9.977 -21.123 181 1HD LYS 20 2HD LYS 20 1.305 10.277 -22.422 182 2HD LYS 20 1HD LYS 20 0.876 11.589 -21.324 183 1HE LYS 20 2HE LYS 20 2.637 11.935 -23.778 184 2HE LYS 20 1HE LYS 20 0.910 12.337 -23.714 185 1HZ LYS 20 1HZ LYS 20 1.262 13.922 -22.052 186 2HZ LYS 20 2HZ LYS 20 2.537 14.189 -23.143 187 3HZ LYS 20 3HZ LYS 20 2.818 13.349 -21.693 188 H ALA 21 H ALA 21 6.382 13.453 -18.964 189 HA ALA 21 HA ALA 21 4.854 15.989 -18.521 190 1HB ALA 21 1HB ALA 21 6.191 15.187 -16.644 191 2HB ALA 21 2HB ALA 21 6.956 16.631 -17.306 192 3HB ALA 21 3HB ALA 21 7.610 15.036 -17.680 193 HA PRO 22 HA PRO 22 6.624 17.580 -22.228 194 1HB PRO 22 2HB PRO 22 6.385 20.254 -21.694 195 2HB PRO 22 1HB PRO 22 5.001 19.227 -22.122 196 1HG PRO 22 2HG PRO 22 5.880 20.204 -19.453 197 2HG PRO 22 1HG PRO 22 4.245 19.998 -20.099 198 1HD PRO 22 2HD PRO 22 5.427 18.243 -18.371 199 2HD PRO 22 1HD PRO 22 4.157 17.789 -19.526 200 H THR 23 H THR 23 8.274 19.604 -22.696 201 HA THR 23 HA THR 23 10.272 20.105 -20.668 202 HB THR 23 HB THR 23 10.633 17.917 -22.718 203 HG1 THR 23 HG1 THR 23 11.209 16.768 -20.912 204 1HG2 THR 23 1HG2 THR 23 12.753 19.548 -21.307 205 2HG2 THR 23 2HG2 THR 23 12.585 19.258 -23.039 206 3HG2 THR 23 3HG2 THR 23 13.067 17.942 -21.968 207 H ASN 24 H ASN 24 11.146 22.048 -21.270 208 HA ASN 24 HA ASN 24 11.821 22.559 -24.106 209 1HB ASN 24 2HB ASN 24 9.475 23.176 -23.980 210 2HB ASN 24 1HB ASN 24 9.758 24.106 -22.509 211 1HD2 ASN 24 1HD2 ASN 24 10.430 26.275 -22.748 212 2HD2 ASN 24 2HD2 ASN 24 10.811 26.989 -24.240 213 H GLU 25 H GLU 25 13.998 22.709 -23.214 214 HA GLU 25 HA GLU 25 14.623 24.616 -21.098 215 1HB GLU 25 2HB GLU 25 15.920 22.582 -21.464 216 2HB GLU 25 1HB GLU 25 16.286 23.081 -23.115 217 1HG GLU 25 2HG GLU 25 17.221 25.246 -21.897 218 2HG GLU 25 1HG GLU 25 17.370 24.137 -20.533 219 H PHE 26 H PHE 26 16.604 24.734 -23.940 220 HA PHE 26 HA PHE 26 16.908 27.476 -24.137 221 1HB PHE 26 2HB PHE 26 18.203 25.992 -25.487 222 2HB PHE 26 1HB PHE 26 16.763 25.296 -26.230 223 HD1 PHE 26 HD1 PHE 26 19.260 27.885 -26.434 224 HD2 PHE 26 HD2 PHE 26 15.296 26.806 -27.686 225 HE1 PHE 26 HE1 PHE 26 19.368 29.583 -28.239 226 HE2 PHE 26 HE2 PHE 26 15.404 28.502 -29.491 227 HZ PHE 26 HZ PHE 26 17.440 29.891 -29.768 228 H TYR 27 H TYR 27 15.655 29.187 -24.862 229 HA TYR 27 HA TYR 27 12.944 28.517 -25.965 230 1HB TYR 27 2HB TYR 27 12.242 30.600 -24.823 231 2HB TYR 27 1HB TYR 27 12.984 29.474 -23.685 232 HD1 TYR 27 HD1 TYR 27 15.245 29.869 -22.804 233 HD2 TYR 27 HD2 TYR 27 13.365 32.657 -25.478 234 HE1 TYR 27 HE1 TYR 27 16.942 31.580 -22.214 235 HE2 TYR 27 HE2 TYR 27 15.061 34.367 -24.887 236 HH TYR 27 HH TYR 27 17.272 34.525 -23.981 237 H ALA 28 HN ALA 28 15.604 30.903 -26.052 238 HA ALA 28 HA ALA 28 14.947 31.434 -28.910 239 1HB ALA 28 1HB ALA 28 14.905 33.835 -28.482 240 2HB ALA 28 2HB ALA 28 15.321 33.572 -26.789 241 3HB ALA 28 3HB ALA 28 13.752 33.051 -27.403 242 1H ARG 1 1HT ARG 1 -21.413 -18.994 -2.920 243 2H ARG 1 2HT ARG 1 -20.482 -18.253 -1.706 244 3H ARG 1 3HT ARG 1 -20.652 -19.944 -1.739 245 HA ARG 1 HA ARG 1 -19.399 -20.086 -3.788 246 1HB ARG 1 2HB ARG 1 -18.634 -18.030 -4.839 247 2HB ARG 1 1HB ARG 1 -20.370 -17.892 -4.561 248 1HG ARG 1 2HG ARG 1 -18.985 -16.988 -2.214 249 2HG ARG 1 1HG ARG 1 -18.318 -16.162 -3.622 250 1HD ARG 1 2HD ARG 1 -21.268 -16.323 -2.899 251 2HD ARG 1 1HD ARG 1 -20.236 -14.884 -2.769 252 HE ARG 1 HE ARG 1 -21.048 -16.185 -5.325 253 1HH1 ARG 1 1HH1 ARG 1 -18.246 -14.875 -5.108 254 2HH1 ARG 1 2HH1 ARG 1 -18.583 -13.317 -5.786 255 1HH2 ARG 1 1HH2 ARG 1 -22.024 -13.657 -5.534 256 2HH2 ARG 1 2HH2 ARG 1 -20.722 -12.627 -6.026 257 H MET 2 H MET 2 -19.122 -19.548 -0.669 258 HA MET 2 HA MET 2 -16.298 -18.693 -0.509 259 1HB MET 2 2HB MET 2 -18.495 -19.462 1.416 260 2HB MET 2 1HB MET 2 -16.838 -19.223 1.975 261 1HG MET 2 2HG MET 2 -16.826 -16.947 1.107 262 2HG MET 2 1HG MET 2 -18.426 -17.175 0.401 263 1HE MET 2 1HE MET 2 -20.862 -16.393 2.927 264 2HE MET 2 2HE MET 2 -20.615 -17.919 2.083 265 3HE MET 2 3HE MET 2 -20.293 -16.400 1.253 266 H LYS 3 H LYS 3 -14.581 -20.100 -0.094 267 HA LYS 3 HA LYS 3 -13.420 -22.158 -0.020 268 1HB LYS 3 2HB LYS 3 -16.003 -22.771 1.448 269 2HB LYS 3 1HB LYS 3 -14.609 -23.851 1.439 270 1HG LYS 3 2HG LYS 3 -13.561 -22.623 3.008 271 2HG LYS 3 1HG LYS 3 -13.796 -21.143 2.077 272 1HD LYS 3 2HD LYS 3 -15.601 -20.520 3.304 273 2HD LYS 3 1HD LYS 3 -16.257 -22.157 3.333 274 1HE LYS 3 2HE LYS 3 -14.119 -22.525 4.948 275 2HE LYS 3 1HE LYS 3 -14.455 -20.815 5.283 276 1HZ LYS 3 1HZ LYS 3 -16.208 -23.152 5.637 277 2HZ LYS 3 2HZ LYS 3 -16.902 -21.635 5.311 278 3HZ LYS 3 3HZ LYS 3 -15.933 -21.853 6.690 279 H LYS 4 H LYS 4 -13.674 -22.370 -2.401 280 HA LYS 4 HA LYS 4 -15.508 -24.635 -3.107 281 1HB LYS 4 2HB LYS 4 -15.732 -23.352 -5.331 282 2HB LYS 4 1HB LYS 4 -16.562 -22.661 -3.936 283 1HG LYS 4 2HG LYS 4 -15.239 -20.821 -3.920 284 2HG LYS 4 1HG LYS 4 -13.777 -21.766 -4.197 285 1HD LYS 4 2HD LYS 4 -14.195 -21.866 -6.566 286 2HD LYS 4 1HD LYS 4 -15.804 -21.172 -6.365 287 1HE LYS 4 2HE LYS 4 -14.980 -19.055 -6.364 288 2HE LYS 4 1HE LYS 4 -13.710 -19.482 -5.199 289 1HZ LYS 4 1HZ LYS 4 -12.291 -20.162 -6.838 290 2HZ LYS 4 2HZ LYS 4 -13.109 -18.931 -7.676 291 3HZ LYS 4 3HZ LYS 4 -13.536 -20.557 -7.921 292 H LYS 5 H LYS 5 -12.371 -23.642 -2.852 293 HA LYS 5 HA LYS 5 -10.349 -24.469 -3.757 294 1HB LYS 5 2HB LYS 5 -12.162 -26.519 -3.544 295 2HB LYS 5 1HB LYS 5 -11.739 -26.604 -5.254 296 1HG LYS 5 2HG LYS 5 -9.327 -26.618 -4.622 297 2HG LYS 5 1HG LYS 5 -9.801 -26.646 -2.923 298 1HD LYS 5 2HD LYS 5 -11.299 -28.705 -3.957 299 2HD LYS 5 1HD LYS 5 -9.818 -28.819 -4.909 300 1HE LYS 5 2HE LYS 5 -9.203 -30.091 -3.055 301 2HE LYS 5 1HE LYS 5 -8.696 -28.487 -2.492 302 1HZ LYS 5 1HZ LYS 5 -10.845 -28.175 -1.470 303 2HZ LYS 5 2HZ LYS 5 -10.147 -29.607 -0.879 304 3HZ LYS 5 3HZ LYS 5 -11.381 -29.680 -2.043 305 H ASP 6 H ASP 6 -10.384 -25.971 -6.385 306 HA ASP 6 HA ASP 6 -10.273 -25.475 -8.698 307 1HB ASP 6 2HB ASP 6 -12.681 -24.767 -8.009 308 2HB ASP 6 1HB ASP 6 -12.055 -23.119 -8.084 309 H GLU 7 H GLU 7 -8.936 -24.147 -9.996 310 HA GLU 7 HA GLU 7 -8.216 -21.435 -9.377 311 1HB GLU 7 2HB GLU 7 -5.969 -21.901 -8.427 312 2HB GLU 7 1HB GLU 7 -7.247 -22.553 -7.402 313 1HG GLU 7 2HG GLU 7 -6.861 -24.691 -8.982 314 2HG GLU 7 1HG GLU 7 -5.246 -23.988 -9.078 315 H GLY 8 H GLY 8 -7.980 -20.913 -11.535 316 1HA GLY 8 2HA GLY 8 -6.613 -22.769 -13.371 317 2HA GLY 8 1HA GLY 8 -7.385 -21.247 -13.822 318 H SER 9 H SER 9 -6.205 -19.257 -13.419 319 HA SER 9 HA SER 9 -3.497 -19.281 -12.405 320 1HB SER 9 2HB SER 9 -3.896 -20.250 -14.998 321 2HB SER 9 1HB SER 9 -3.334 -18.597 -15.235 322 HG SER 9 HG SER 9 -2.103 -20.575 -13.603 323 H TYR 10 H TYR 10 -2.430 -17.092 -12.864 324 HA TYR 10 HA TYR 10 -3.947 -14.898 -13.948 325 1HB TYR 10 2HB TYR 10 -5.452 -15.260 -12.132 326 2HB TYR 10 1HB TYR 10 -4.131 -15.514 -10.992 327 HD1 TYR 10 HD1 TYR 10 -5.095 -12.884 -13.500 328 HD2 TYR 10 HD2 TYR 10 -3.794 -13.765 -9.502 329 HE1 TYR 10 HE1 TYR 10 -5.083 -10.461 -12.970 330 HE2 TYR 10 HE2 TYR 10 -3.781 -11.343 -8.973 331 HH TYR 10 HH TYR 10 -5.334 -9.113 -10.531 332 H ASP 11 H ASP 11 -2.603 -13.081 -14.075 333 HA ASP 11 HA ASP 11 -0.426 -12.589 -12.236 334 1HB ASP 11 2HB ASP 11 -0.084 -14.309 -14.585 335 2HB ASP 11 1HB ASP 11 1.074 -12.980 -14.534 336 H LEU 12 H LEU 12 1.269 -11.186 -14.024 337 HA LEU 12 HA LEU 12 1.436 -9.064 -15.052 338 1HB LEU 12 2HB LEU 12 -1.185 -10.137 -16.143 339 2HB LEU 12 1HB LEU 12 -0.368 -8.712 -16.785 340 HG LEU 12 HG LEU 12 1.620 -10.697 -16.623 341 1HD1 LEU 12 1HD1 LEU 12 -0.109 -12.408 -16.389 342 2HD1 LEU 12 2HD1 LEU 12 0.603 -12.515 -17.999 343 3HD1 LEU 12 3HD1 LEU 12 -0.975 -11.759 -17.781 344 1HD2 LEU 12 1HD2 LEU 12 1.319 -10.619 -19.178 345 2HD2 LEU 12 2HD2 LEU 12 1.625 -9.081 -18.372 346 3HD2 LEU 12 3HD2 LEU 12 -0.012 -9.503 -18.873 347 H GLY 13 H GLY 13 0.379 -6.870 -15.086 348 1HA GLY 13 2HA GLY 13 -1.247 -6.506 -12.636 349 2HA GLY 13 1HA GLY 13 -0.411 -5.225 -13.518 350 H LYS 14 H LYS 14 -1.337 -4.655 -15.683 351 HA LYS 14 HA LYS 14 -4.004 -5.528 -16.394 352 1HB LYS 14 2HB LYS 14 -4.516 -4.270 -14.363 353 2HB LYS 14 1HB LYS 14 -3.615 -2.880 -14.970 354 1HG LYS 14 2HG LYS 14 -5.532 -2.151 -15.903 355 2HG LYS 14 1HG LYS 14 -5.431 -3.516 -17.015 356 1HD LYS 14 2HD LYS 14 -6.872 -4.841 -15.727 357 2HD LYS 14 1HD LYS 14 -6.588 -3.897 -14.264 358 1HE LYS 14 2HE LYS 14 -8.147 -2.306 -14.831 359 2HE LYS 14 1HE LYS 14 -7.789 -2.431 -16.566 360 1HZ LYS 14 1HZ LYS 14 -9.956 -3.501 -15.529 361 2HZ LYS 14 2HZ LYS 14 -8.888 -4.789 -15.234 362 3HZ LYS 14 3HZ LYS 14 -9.131 -4.229 -16.819 363 H LYS 15 H LYS 15 -3.438 -2.141 -16.710 364 HA LYS 15 HA LYS 15 -2.438 -2.563 -19.506 365 1HB LYS 15 2HB LYS 15 -4.482 -0.624 -18.378 366 2HB LYS 15 1HB LYS 15 -3.888 -0.576 -20.038 367 1HG LYS 15 2HG LYS 15 -4.868 -2.649 -20.581 368 2HG LYS 15 1HG LYS 15 -5.051 -3.107 -18.887 369 1HD LYS 15 2HD LYS 15 -6.629 -1.077 -18.696 370 2HD LYS 15 1HD LYS 15 -6.648 -1.083 -20.459 371 1HE LYS 15 2HE LYS 15 -7.047 -3.779 -19.594 372 2HE LYS 15 1HE LYS 15 -8.170 -2.741 -18.693 373 1HZ LYS 15 1HZ LYS 15 -7.889 -3.084 -21.600 374 2HZ LYS 15 2HZ LYS 15 -8.425 -1.590 -20.995 375 3HZ LYS 15 3HZ LYS 15 -9.300 -3.007 -20.661 376 HA PRO 16 HA PRO 16 0.748 0.130 -17.914 377 1HB PRO 16 2HB PRO 16 2.234 0.207 -20.211 378 2HB PRO 16 1HB PRO 16 2.256 -1.171 -19.093 379 1HG PRO 16 2HG PRO 16 0.818 -0.855 -21.676 380 2HG PRO 16 1HG PRO 16 1.612 -2.281 -20.992 381 1HD PRO 16 2HD PRO 16 -1.094 -1.885 -20.962 382 2HD PRO 16 1HD PRO 16 -0.224 -2.875 -19.770 383 H ILE 17 H ILE 17 -0.157 2.189 -17.715 384 HA ILE 17 HA ILE 17 -1.045 3.662 -20.120 385 HB ILE 17 HB ILE 17 -0.934 4.628 -17.275 386 1HG1 ILE 17 2HG1 ILE 17 -3.489 3.627 -17.653 387 2HG1 ILE 17 1HG1 ILE 17 -2.468 2.396 -18.398 388 1HG2 ILE 17 1HG2 ILE 17 -3.299 5.439 -18.386 389 2HG2 ILE 17 2HG2 ILE 17 -2.240 5.421 -19.795 390 3HG2 ILE 17 3HG2 ILE 17 -1.819 6.400 -18.391 391 1HD1 ILE 17 1HD1 ILE 17 -1.431 3.393 -15.833 392 2HD1 ILE 17 2HD1 ILE 17 -1.613 1.734 -16.404 393 3HD1 ILE 17 3HD1 ILE 17 -2.991 2.580 -15.699 394 H TYR 18 H TYR 18 -0.360 6.180 -19.867 395 HA TYR 18 HA TYR 18 2.403 6.593 -18.976 396 1HB TYR 18 2HB TYR 18 1.885 5.481 -21.517 397 2HB TYR 18 1HB TYR 18 2.300 7.169 -21.816 398 HD1 TYR 18 HD1 TYR 18 3.469 3.992 -20.312 399 HD2 TYR 18 HD2 TYR 18 4.513 8.019 -21.381 400 HE1 TYR 18 HE1 TYR 18 5.861 3.477 -19.914 401 HE2 TYR 18 HE2 TYR 18 6.906 7.503 -20.983 402 HH TYR 18 HH TYR 18 8.055 5.319 -19.272 403 H LYS 19 H LYS 19 0.696 8.172 -17.936 404 HA LYS 19 HA LYS 19 0.630 10.653 -19.616 405 1HB LYS 19 2HB LYS 19 -1.540 9.109 -19.118 406 2HB LYS 19 1HB LYS 19 -1.575 10.139 -17.687 407 1HG LYS 19 2HG LYS 19 -2.256 11.931 -18.879 408 2HG LYS 19 1HG LYS 19 -1.025 11.664 -20.114 409 1HD LYS 19 2HD LYS 19 -2.399 10.091 -21.278 410 2HD LYS 19 1HD LYS 19 -3.541 9.994 -19.938 411 1HE LYS 19 2HE LYS 19 -3.737 12.623 -20.376 412 2HE LYS 19 1HE LYS 19 -3.236 12.132 -22.007 413 1HZ LYS 19 1HZ LYS 19 -5.533 11.112 -20.431 414 2HZ LYS 19 2HZ LYS 19 -4.943 10.321 -21.815 415 3HZ LYS 19 3HZ LYS 19 -5.575 11.893 -21.936 416 H LYS 20 H LYS 20 1.046 12.564 -18.444 417 HA LYS 20 HA LYS 20 0.877 12.956 -15.658 418 1HB LYS 20 2HB LYS 20 2.919 11.125 -16.468 419 2HB LYS 20 1HB LYS 20 3.709 12.577 -15.853 420 1HG LYS 20 2HG LYS 20 1.939 12.372 -13.916 421 2HG LYS 20 1HG LYS 20 1.857 10.689 -14.434 422 1HD LYS 20 2HD LYS 20 3.670 10.343 -13.132 423 2HD LYS 20 1HD LYS 20 4.585 11.205 -14.370 424 1HE LYS 20 2HE LYS 20 3.203 12.560 -12.024 425 2HE LYS 20 1HE LYS 20 4.936 12.180 -12.089 426 1HZ LYS 20 1HZ LYS 20 5.244 13.551 -13.940 427 2HZ LYS 20 2HZ LYS 20 4.231 14.463 -12.924 428 3HZ LYS 20 3HZ LYS 20 3.582 13.652 -14.268 429 H ALA 21 H ALA 21 0.325 14.927 -17.086 430 HA ALA 21 HA ALA 21 2.772 16.501 -17.791 431 1HB ALA 21 1HB ALA 21 1.170 16.119 -19.592 432 2HB ALA 21 2HB ALA 21 1.108 17.820 -19.132 433 3HB ALA 21 3HB ALA 21 -0.151 16.712 -18.584 434 HA PRO 22 HA PRO 22 1.944 19.128 -14.354 435 1HB PRO 22 2HB PRO 22 3.278 21.362 -15.201 436 2HB PRO 22 1HB PRO 22 4.107 19.906 -14.614 437 1HG PRO 22 2HG PRO 22 3.654 20.832 -17.405 438 2HG PRO 22 1HG PRO 22 5.065 20.033 -16.694 439 1HD PRO 22 2HD PRO 22 3.202 18.748 -18.229 440 2HD PRO 22 1HD PRO 22 4.192 17.943 -16.993 441 H THR 23 H THR 23 1.320 21.701 -14.179 442 HA THR 23 HA THR 23 -0.332 22.750 -16.307 443 HB THR 23 HB THR 23 -1.530 21.189 -14.017 444 HG1 THR 23 HG1 THR 23 -2.588 20.183 -15.685 445 1HG2 THR 23 1HG2 THR 23 -2.798 23.380 -15.671 446 2HG2 THR 23 2HG2 THR 23 -2.722 23.258 -13.913 447 3HG2 THR 23 3HG2 THR 23 -3.744 22.152 -14.829 448 H ASN 24 H ASN 24 -0.284 24.938 -15.967 449 HA ASN 24 HA ASN 24 -0.601 26.026 -13.233 450 1HB ASN 24 2HB ASN 24 1.781 25.572 -13.369 451 2HB ASN 24 1HB ASN 24 1.879 26.347 -14.951 452 1HD2 ASN 24 1HD2 ASN 24 2.196 28.609 -14.994 453 2HD2 ASN 24 2HD2 ASN 24 2.194 29.592 -13.611 454 H GLU 25 H GLU 25 -2.533 26.976 -14.196 455 HA GLU 25 HA GLU 25 -2.348 28.696 -16.543 456 1HB GLU 25 2HB GLU 25 -4.374 27.464 -15.969 457 2HB GLU 25 1HB GLU 25 -4.450 28.267 -14.400 458 1HG GLU 25 2HG GLU 25 -4.411 30.459 -15.897 459 2HG GLU 25 1HG GLU 25 -5.053 29.362 -17.120 460 H PHE 26 H PHE 26 -4.015 29.986 -13.791 461 HA PHE 26 HA PHE 26 -3.123 32.601 -13.937 462 1HB PHE 26 2HB PHE 26 -4.887 31.981 -12.451 463 2HB PHE 26 1HB PHE 26 -3.858 30.835 -11.592 464 HD1 PHE 26 HD1 PHE 26 -5.017 34.243 -11.770 465 HD2 PHE 26 HD2 PHE 26 -1.851 31.744 -10.290 466 HE1 PHE 26 HE1 PHE 26 -4.346 36.030 -10.188 467 HE2 PHE 26 HE2 PHE 26 -1.181 33.533 -8.707 468 HZ PHE 26 HZ PHE 26 -2.428 35.675 -8.656 469 H TYR 27 H TYR 27 -1.243 33.692 -13.390 470 HA TYR 27 HA TYR 27 0.957 32.076 -12.142 471 1HB TYR 27 2HB TYR 27 2.444 33.510 -13.508 472 2HB TYR 27 1HB TYR 27 1.265 32.676 -14.520 473 HD1 TYR 27 HD1 TYR 27 -0.639 33.882 -15.503 474 HD2 TYR 27 HD2 TYR 27 2.317 35.912 -13.138 475 HE1 TYR 27 HE1 TYR 27 -1.466 36.064 -16.342 476 HE2 TYR 27 HE2 TYR 27 1.490 38.094 -13.976 477 HH TYR 27 HH TYR 27 -0.469 39.062 -14.955 478 H ALA 28 HN ALA 28 -0.438 35.356 -12.416 479 HA ALA 28 HA ALA 28 0.459 35.900 -9.626 480 1HB ALA 28 1HB ALA 28 1.503 37.985 -10.340 481 2HB ALA 28 2HB ALA 28 0.969 37.720 -12.001 482 3HB ALA 28 3HB ALA 28 2.186 36.663 -11.286
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