NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4021 | 1ejq | 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 10.917 3.523 -15.550 2 2H ARG 1 2HT ARG 1 9.302 3.640 -15.036 3 3H ARG 1 3HT ARG 1 9.659 3.107 -16.610 4 HA ARG 1 HA ARG 1 9.897 1.656 -14.059 5 1HB ARG 1 2HB ARG 1 9.025 0.964 -16.885 6 2HB ARG 1 1HB ARG 1 8.769 -0.024 -15.446 7 1HG ARG 1 2HG ARG 1 7.538 2.032 -14.483 8 2HG ARG 1 1HG ARG 1 7.512 2.630 -16.142 9 1HD ARG 1 2HD ARG 1 5.788 1.253 -16.656 10 2HD ARG 1 1HD ARG 1 6.686 -0.155 -16.058 11 HE ARG 1 HE ARG 1 5.965 0.628 -13.727 12 1HH1 ARG 1 1HH2 ARG 1 4.031 0.480 -16.500 13 2HH1 ARG 1 2HH2 ARG 1 2.615 1.137 -15.747 14 1HH2 ARG 1 1HH1 ARG 1 4.229 1.902 -12.775 15 2HH2 ARG 1 2HH1 ARG 1 2.728 1.942 -13.638 16 H MET 2 H MET 2 12.077 1.200 -13.690 17 HA MET 2 HA MET 2 14.015 0.752 -15.788 18 1HB MET 2 2HB MET 2 15.454 0.198 -13.908 19 2HB MET 2 1HB MET 2 14.410 1.533 -13.418 20 1HG MET 2 2HG MET 2 13.027 -0.903 -12.865 21 2HG MET 2 1HG MET 2 14.659 -1.049 -12.212 22 1HE MET 2 1HE MET 2 11.129 0.993 -11.723 23 2HE MET 2 2HE MET 2 11.331 0.366 -10.090 24 3HE MET 2 3HE MET 2 11.550 -0.706 -11.470 25 H LYS 3 H LYS 3 15.127 -1.669 -14.346 26 HA LYS 3 HA LYS 3 14.379 -3.731 -16.072 27 1HB LYS 3 2HB LYS 3 15.609 -3.435 -13.397 28 2HB LYS 3 1HB LYS 3 14.966 -5.042 -13.738 29 1HG LYS 3 2HG LYS 3 16.301 -4.205 -16.091 30 2HG LYS 3 1HG LYS 3 17.373 -3.816 -14.745 31 1HD LYS 3 2HD LYS 3 16.013 -6.495 -14.833 32 2HD LYS 3 1HD LYS 3 17.460 -6.217 -15.802 33 1HE LYS 3 2HE LYS 3 18.193 -5.154 -13.359 34 2HE LYS 3 1HE LYS 3 17.214 -6.558 -12.893 35 1HZ LYS 3 1HZ LYS 3 19.383 -7.375 -13.292 36 2HZ LYS 3 2HZ LYS 3 19.538 -6.495 -14.737 37 3HZ LYS 3 3HZ LYS 3 18.469 -7.813 -14.651 38 H LYS 4 H LYS 4 13.068 -5.721 -15.539 39 HA LYS 4 HA LYS 4 10.811 -5.255 -13.652 40 1HB LYS 4 2HB LYS 4 10.779 -5.239 -16.619 41 2HB LYS 4 1HB LYS 4 9.499 -6.183 -15.857 42 1HG LYS 4 2HG LYS 4 9.096 -4.132 -14.363 43 2HG LYS 4 1HG LYS 4 10.108 -3.246 -15.503 44 1HD LYS 4 2HD LYS 4 8.612 -3.813 -17.342 45 2HD LYS 4 1HD LYS 4 7.641 -4.828 -16.276 46 1HE LYS 4 2HE LYS 4 7.480 -2.577 -14.850 47 2HE LYS 4 1HE LYS 4 7.771 -1.843 -16.440 48 1HZ LYS 4 1HZ LYS 4 5.827 -4.042 -16.103 49 2HZ LYS 4 2HZ LYS 4 5.933 -2.903 -17.358 50 3HZ LYS 4 3HZ LYS 4 5.367 -2.433 -15.827 51 H LYS 5 H LYS 5 9.318 -7.360 -13.846 52 HA LYS 5 HA LYS 5 10.730 -9.821 -14.582 53 1HB LYS 5 2HB LYS 5 11.674 -8.871 -12.356 54 2HB LYS 5 1HB LYS 5 10.133 -9.368 -11.656 55 1HG LYS 5 2HG LYS 5 11.053 -11.414 -11.400 56 2HG LYS 5 1HG LYS 5 10.925 -11.579 -13.152 57 1HD LYS 5 2HD LYS 5 13.161 -10.822 -13.488 58 2HD LYS 5 1HD LYS 5 13.289 -10.237 -11.829 59 1HE LYS 5 2HE LYS 5 12.971 -12.656 -11.073 60 2HE LYS 5 1HE LYS 5 13.198 -13.118 -12.772 61 1HZ LYS 5 1HZ LYS 5 15.066 -11.394 -11.232 62 2HZ LYS 5 2HZ LYS 5 15.289 -11.969 -12.814 63 3HZ LYS 5 3HZ LYS 5 15.305 -13.051 -11.504 64 H ASP 6 H ASP 6 8.765 -10.305 -15.712 65 HA ASP 6 HA ASP 6 6.453 -10.981 -13.926 66 1HB ASP 6 2HB ASP 6 5.026 -10.208 -15.856 67 2HB ASP 6 1HB ASP 6 5.987 -8.918 -15.132 68 H GLU 7 H GLU 7 8.278 -12.946 -14.520 69 HA GLU 7 HA GLU 7 7.517 -14.360 -16.986 70 1HB GLU 7 2HB GLU 7 9.761 -14.191 -15.458 71 2HB GLU 7 1HB GLU 7 9.071 -15.689 -14.833 72 1HG GLU 7 2HG GLU 7 8.936 -16.601 -17.107 73 2HG GLU 7 1HG GLU 7 9.571 -15.092 -17.765 74 H GLY 8 H GLY 8 5.796 -13.896 -14.309 75 1HA GLY 8 2HA GLY 8 4.905 -16.744 -14.094 76 2HA GLY 8 1HA GLY 8 4.732 -15.561 -12.796 77 H SER 9 H SER 9 3.363 -16.762 -15.756 78 HA SER 9 HA SER 9 1.452 -14.616 -16.168 79 1HB SER 9 2HB SER 9 0.554 -16.165 -17.811 80 2HB SER 9 1HB SER 9 2.311 -16.285 -17.856 81 HG SER 9 HG SER 9 1.819 -18.341 -17.624 82 H TYR 10 H TYR 10 -0.439 -14.299 -15.057 83 HA TYR 10 HA TYR 10 -1.923 -16.568 -13.907 84 1HB TYR 10 2HB TYR 10 -0.357 -14.542 -12.314 85 2HB TYR 10 1HB TYR 10 -1.784 -15.313 -11.619 86 HD1 TYR 10 HD1 TYR 10 -1.864 -17.981 -12.092 87 HD2 TYR 10 HD2 TYR 10 1.686 -15.570 -11.898 88 HE1 TYR 10 HE1 TYR 10 -0.520 -19.999 -11.570 89 HE2 TYR 10 HE2 TYR 10 3.029 -17.589 -11.376 90 HH TYR 10 HH TYR 10 3.000 -19.868 -11.390 91 H ASP 11 H ASP 11 -1.864 -13.179 -12.843 92 HA ASP 11 HA ASP 11 -4.241 -12.503 -14.457 93 1HB ASP 11 2HB ASP 11 -4.983 -13.852 -12.441 94 2HB ASP 11 1HB ASP 11 -4.355 -12.554 -11.426 95 H LEU 12 H LEU 12 -1.927 -11.182 -14.741 96 HA LEU 12 HA LEU 12 -2.522 -8.495 -13.792 97 1HB LEU 12 2HB LEU 12 -1.588 -9.276 -11.745 98 2HB LEU 12 1HB LEU 12 -0.316 -10.169 -12.580 99 HG LEU 12 HG LEU 12 -0.485 -7.204 -12.979 100 1HD1 LEU 12 1HD1 LEU 12 1.045 -8.387 -10.665 101 2HD1 LEU 12 2HD1 LEU 12 -0.620 -7.845 -10.463 102 3HD1 LEU 12 3HD1 LEU 12 0.626 -6.700 -10.960 103 1HD2 LEU 12 1HD2 LEU 12 1.215 -9.259 -13.800 104 2HD2 LEU 12 2HD2 LEU 12 2.105 -8.468 -12.499 105 3HD2 LEU 12 3HD2 LEU 12 1.560 -7.531 -13.890 106 H GLY 13 H GLY 13 -1.417 -6.972 -15.064 107 1HA GLY 13 2HA GLY 13 0.996 -7.683 -16.544 108 2HA GLY 13 1HA GLY 13 -0.435 -7.563 -17.570 109 H LYS 14 H LYS 14 -1.803 -5.448 -16.528 110 HA LYS 14 HA LYS 14 0.004 -3.183 -17.169 111 1HB LYS 14 2HB LYS 14 -2.942 -3.748 -17.091 112 2HB LYS 14 1HB LYS 14 -2.405 -2.070 -16.994 113 1HG LYS 14 2HG LYS 14 -1.574 -2.066 -19.141 114 2HG LYS 14 1HG LYS 14 -1.153 -3.778 -19.093 115 1HD LYS 14 2HD LYS 14 -3.252 -4.456 -19.741 116 2HD LYS 14 1HD LYS 14 -4.049 -3.100 -18.946 117 1HE LYS 14 2HE LYS 14 -4.118 -1.971 -20.908 118 2HE LYS 14 1HE LYS 14 -2.355 -2.097 -21.059 119 1HZ LYS 14 1HZ LYS 14 -3.965 -4.500 -21.522 120 2HZ LYS 14 2HZ LYS 14 -2.489 -4.038 -22.226 121 3HZ LYS 14 3HZ LYS 14 -3.942 -3.322 -22.741 122 H LYS 15 H LYS 15 0.093 -1.301 -15.766 123 HA LYS 15 HA LYS 15 -0.748 -1.826 -12.934 124 1HB LYS 15 2HB LYS 15 1.800 -0.509 -13.930 125 2HB LYS 15 1HB LYS 15 1.408 -0.895 -12.254 126 1HG LYS 15 2HG LYS 15 1.542 -3.236 -12.648 127 2HG LYS 15 1HG LYS 15 1.505 -3.020 -14.399 128 1HD LYS 15 2HD LYS 15 3.732 -2.555 -14.517 129 2HD LYS 15 1HD LYS 15 3.710 -1.613 -13.025 130 1HE LYS 15 2HE LYS 15 3.377 -3.928 -11.847 131 2HE LYS 15 1HE LYS 15 4.014 -4.592 -13.365 132 1HZ LYS 15 1HZ LYS 15 5.674 -3.869 -11.543 133 2HZ LYS 15 2HZ LYS 15 5.332 -2.292 -12.073 134 3HZ LYS 15 3HZ LYS 15 5.986 -3.429 -13.151 135 HA PRO 16 HA PRO 16 -2.478 2.203 -13.047 136 1HB PRO 16 2HB PRO 16 -2.110 3.017 -10.459 137 2HB PRO 16 1HB PRO 16 -3.306 1.793 -10.926 138 1HG PRO 16 2HG PRO 16 -0.609 1.442 -9.717 139 2HG PRO 16 1HG PRO 16 -2.104 0.543 -9.422 140 1HD PRO 16 2HD PRO 16 -0.056 -0.375 -10.994 141 2HD PRO 16 1HD PRO 16 -1.753 -0.870 -11.186 142 H ILE 17 H ILE 17 -1.890 4.511 -12.924 143 HA ILE 17 HA ILE 17 0.873 5.229 -12.242 144 HB ILE 17 HB ILE 17 1.157 6.075 -14.667 145 1HG1 ILE 17 2HG1 ILE 17 -1.007 4.002 -15.126 146 2HG1 ILE 17 1HG1 ILE 17 -1.272 5.743 -15.226 147 1HG2 ILE 17 1HG2 ILE 17 2.261 4.103 -15.235 148 2HG2 ILE 17 2HG2 ILE 17 0.991 3.081 -14.564 149 3HG2 ILE 17 3HG2 ILE 17 2.107 3.920 -13.488 150 1HD1 ILE 17 1HD1 ILE 17 0.557 5.848 -16.954 151 2HD1 ILE 17 2HD1 ILE 17 -0.855 4.924 -17.466 152 3HD1 ILE 17 3HD1 ILE 17 0.602 4.085 -16.936 153 H TYR 18 H TYR 18 -1.127 6.338 -10.933 154 HA TYR 18 HA TYR 18 -2.366 8.612 -12.274 155 1HB TYR 18 2HB TYR 18 -2.873 7.093 -10.071 156 2HB TYR 18 1HB TYR 18 -2.129 8.503 -9.315 157 HD1 TYR 18 HD1 TYR 18 -3.195 10.683 -9.382 158 HD2 TYR 18 HD2 TYR 18 -4.945 7.311 -11.385 159 HE1 TYR 18 HE1 TYR 18 -5.307 11.950 -9.669 160 HE2 TYR 18 HE2 TYR 18 -7.056 8.577 -11.673 161 HH TYR 18 HH TYR 18 -8.127 10.721 -10.206 162 H LYS 19 H LYS 19 -1.176 10.409 -12.797 163 HA LYS 19 HA LYS 19 0.197 12.020 -10.918 164 1HB LYS 19 2HB LYS 19 1.576 9.640 -11.644 165 2HB LYS 19 1HB LYS 19 2.434 10.978 -12.407 166 1HG LYS 19 2HG LYS 19 2.410 12.162 -10.181 167 2HG LYS 19 1HG LYS 19 1.759 10.685 -9.469 168 1HD LYS 19 2HD LYS 19 3.796 9.520 -10.606 169 2HD LYS 19 1HD LYS 19 4.469 11.148 -10.695 170 1HE LYS 19 2HE LYS 19 3.689 11.184 -8.119 171 2HE LYS 19 1HE LYS 19 3.972 9.441 -8.300 172 1HZ LYS 19 1HZ LYS 19 5.961 10.995 -7.761 173 2HZ LYS 19 2HZ LYS 19 5.902 11.362 -9.419 174 3HZ LYS 19 3HZ LYS 19 6.156 9.762 -8.909 175 H LYS 20 H LYS 20 -1.214 13.247 -12.559 176 HA LYS 20 HA LYS 20 0.417 13.971 -14.972 177 1HB LYS 20 2HB LYS 20 -2.009 12.748 -14.939 178 2HB LYS 20 1HB LYS 20 -2.518 14.436 -14.928 179 1HG LYS 20 2HG LYS 20 -1.203 14.893 -16.929 180 2HG LYS 20 1HG LYS 20 -0.551 13.255 -16.910 181 1HD LYS 20 2HD LYS 20 -2.538 12.305 -17.626 182 2HD LYS 20 1HD LYS 20 -3.524 13.594 -16.934 183 1HE LYS 20 2HE LYS 20 -3.153 15.030 -18.750 184 2HE LYS 20 1HE LYS 20 -1.648 14.211 -19.213 185 1HZ LYS 20 1HZ LYS 20 -3.094 12.184 -19.574 186 2HZ LYS 20 2HZ LYS 20 -3.258 13.430 -20.717 187 3HZ LYS 20 3HZ LYS 20 -4.429 13.228 -19.502 188 H ALA 21 H ALA 21 -0.399 16.269 -15.770 189 HA ALA 21 HA ALA 21 -1.241 18.087 -13.613 190 1HB ALA 21 1HB ALA 21 0.851 19.248 -13.457 191 2HB ALA 21 2HB ALA 21 1.500 18.403 -14.862 192 3HB ALA 21 3HB ALA 21 1.248 17.534 -13.348 193 HA PRO 22 HA PRO 22 -1.748 19.327 -18.153 194 1HB PRO 22 2HB PRO 22 -4.391 18.686 -18.475 195 2HB PRO 22 1HB PRO 22 -3.071 17.560 -18.845 196 1HG PRO 22 2HG PRO 22 -4.843 17.681 -16.459 197 2HG PRO 22 1HG PRO 22 -4.199 16.273 -17.316 198 1HD PRO 22 2HD PRO 22 -3.182 17.220 -14.955 199 2HD PRO 22 1HD PRO 22 -2.236 16.299 -16.144 200 H THR 23 H THR 23 -2.905 20.029 -15.099 201 HA THR 23 HA THR 23 -3.518 22.770 -15.710 202 HB THR 23 HB THR 23 -5.467 21.621 -16.754 203 HG1 THR 23 HG1 THR 23 -6.142 23.524 -16.104 204 1HG2 THR 23 1HG2 THR 23 -6.643 20.001 -15.696 205 2HG2 THR 23 2HG2 THR 23 -6.690 20.908 -14.183 206 3HG2 THR 23 3HG2 THR 23 -5.278 19.931 -14.583 207 H ASN 24 H ASN 24 -5.601 22.941 -13.593 208 HA ASN 24 HA ASN 24 -4.063 22.026 -11.194 209 1HB ASN 24 2HB ASN 24 -3.694 24.471 -12.082 210 2HB ASN 24 1HB ASN 24 -5.282 24.774 -11.377 211 1HD2 ASN 24 1HD2 ASN 24 -5.497 24.610 -9.031 212 2HD2 ASN 24 2HD2 ASN 24 -4.133 24.566 -8.020 213 H GLU 25 H GLU 25 -6.266 20.625 -11.904 214 HA GLU 25 HA GLU 25 -8.333 21.562 -9.954 215 1HB GLU 25 2HB GLU 25 -8.702 21.954 -12.540 216 2HB GLU 25 1HB GLU 25 -9.085 20.231 -12.543 217 1HG GLU 25 2HG GLU 25 -11.051 20.541 -11.445 218 2HG GLU 25 1HG GLU 25 -10.363 21.756 -10.366 219 H PHE 26 H PHE 26 -9.601 19.785 -9.057 220 HA PHE 26 HA PHE 26 -8.390 17.074 -9.498 221 1HB PHE 26 2HB PHE 26 -7.913 18.567 -7.342 222 2HB PHE 26 1HB PHE 26 -9.483 17.935 -6.844 223 HD1 PHE 26 HD1 PHE 26 -9.689 15.263 -7.618 224 HD2 PHE 26 HD2 PHE 26 -6.121 17.365 -6.475 225 HE1 PHE 26 HE1 PHE 26 -8.626 13.114 -6.985 226 HE2 PHE 26 HE2 PHE 26 -5.058 15.216 -5.843 227 HZ PHE 26 HZ PHE 26 -6.310 13.091 -6.098 228 H TYR 27 H TYR 27 -9.986 15.826 -10.401 229 HA TYR 27 HA TYR 27 -12.810 16.257 -9.481 230 1HB TYR 27 2HB TYR 27 -12.114 16.685 -11.901 231 2HB TYR 27 1HB TYR 27 -11.821 14.951 -12.031 232 HD1 TYR 27 HD1 TYR 27 -14.316 17.569 -12.025 233 HD2 TYR 27 HD2 TYR 27 -13.727 13.342 -11.541 234 HE1 TYR 27 HE1 TYR 27 -16.735 17.188 -12.415 235 HE2 TYR 27 HE2 TYR 27 -16.146 12.960 -11.931 236 HH TYR 27 HH TYR 27 -18.246 14.184 -11.781 237 H ALA 28 HN ALA 28 -13.773 14.548 -8.437 238 HA ALA 28 HA ALA 28 -13.114 11.772 -9.000 239 1HB ALA 28 1HB ALA 28 -11.154 12.756 -7.661 240 2HB ALA 28 2HB ALA 28 -11.881 11.288 -7.007 241 3HB ALA 28 3HB ALA 28 -12.273 12.857 -6.302 242 1H ARG 1 1HT ARG 1 -15.596 3.911 -12.122 243 2H ARG 1 2HT ARG 1 -13.975 4.038 -12.611 244 3H ARG 1 3HT ARG 1 -14.369 3.230 -11.169 245 HA ARG 1 HA ARG 1 -14.671 2.317 -13.953 246 1HB ARG 1 2HB ARG 1 -13.854 1.043 -11.320 247 2HB ARG 1 1HB ARG 1 -13.644 0.342 -12.924 248 1HG ARG 1 2HG ARG 1 -12.298 2.475 -13.475 249 2HG ARG 1 1HG ARG 1 -12.249 2.738 -11.732 250 1HD ARG 1 2HD ARG 1 -10.605 1.195 -11.503 251 2HD ARG 1 1HD ARG 1 -11.575 -0.019 -12.361 252 HE ARG 1 HE ARG 1 -10.797 1.163 -14.498 253 1HH1 ARG 1 1HH2 ARG 1 -8.891 0.373 -11.816 254 2HH1 ARG 1 2HH2 ARG 1 -7.438 1.086 -12.434 255 1HH2 ARG 1 1HH1 ARG 1 -8.991 2.501 -15.192 256 2HH2 ARG 1 2HH1 ARG 1 -7.495 2.291 -14.345 257 H MET 2 H MET 2 -16.869 2.061 -14.393 258 HA MET 2 HA MET 2 -18.842 1.320 -12.413 259 1HB MET 2 2HB MET 2 -20.298 1.220 -14.357 260 2HB MET 2 1HB MET 2 -19.181 2.566 -14.584 261 1HG MET 2 2HG MET 2 -17.928 0.214 -15.606 262 2HG MET 2 1HG MET 2 -19.561 0.286 -16.267 263 1HE MET 2 1HE MET 2 -15.923 2.189 -16.367 264 2HE MET 2 2HE MET 2 -16.150 1.904 -18.091 265 3HE MET 2 3HE MET 2 -16.434 0.597 -16.943 266 H LYS 3 H LYS 3 -20.075 -0.711 -14.292 267 HA LYS 3 HA LYS 3 -19.450 -3.107 -13.004 268 1HB LYS 3 2HB LYS 3 -20.646 -2.230 -15.564 269 2HB LYS 3 1HB LYS 3 -20.093 -3.905 -15.545 270 1HG LYS 3 2HG LYS 3 -21.394 -3.470 -13.069 271 2HG LYS 3 1HG LYS 3 -22.436 -2.769 -14.308 272 1HD LYS 3 2HD LYS 3 -21.223 -5.484 -14.749 273 2HD LYS 3 1HD LYS 3 -22.658 -5.323 -13.737 274 1HE LYS 3 2HE LYS 3 -23.319 -3.766 -15.923 275 2HE LYS 3 1HE LYS 3 -22.415 -5.104 -16.659 276 1HZ LYS 3 1HZ LYS 3 -24.627 -5.864 -16.415 277 2HZ LYS 3 2HZ LYS 3 -24.742 -5.275 -14.826 278 3HZ LYS 3 3HZ LYS 3 -23.746 -6.606 -15.171 279 H LYS 4 H LYS 4 -18.244 -5.024 -13.920 280 HA LYS 4 HA LYS 4 -15.956 -4.322 -15.691 281 1HB LYS 4 2HB LYS 4 -15.939 -4.885 -12.779 282 2HB LYS 4 1HB LYS 4 -14.707 -5.731 -13.716 283 1HG LYS 4 2HG LYS 4 -14.186 -3.454 -14.785 284 2HG LYS 4 1HG LYS 4 -15.155 -2.752 -13.488 285 1HD LYS 4 2HD LYS 4 -13.703 -3.746 -11.803 286 2HD LYS 4 1HD LYS 4 -12.781 -4.587 -13.050 287 1HE LYS 4 2HE LYS 4 -12.491 -2.112 -14.012 288 2HE LYS 4 1HE LYS 4 -12.751 -1.687 -12.309 289 1HZ LYS 4 1HZ LYS 4 -10.927 -3.881 -13.076 290 2HZ LYS 4 2HZ LYS 4 -10.978 -3.004 -11.623 291 3HZ LYS 4 3HZ LYS 4 -10.380 -2.276 -13.037 292 H LYS 5 H LYS 5 -14.579 -6.502 -15.917 293 HA LYS 5 HA LYS 5 -16.127 -8.980 -15.669 294 1HB LYS 5 2HB LYS 5 -17.005 -7.564 -17.662 295 2HB LYS 5 1HB LYS 5 -15.490 -7.999 -18.453 296 1HG LYS 5 2HG LYS 5 -16.517 -9.904 -19.097 297 2HG LYS 5 1HG LYS 5 -16.408 -10.414 -17.412 298 1HD LYS 5 2HD LYS 5 -18.602 -9.614 -16.923 299 2HD LYS 5 1HD LYS 5 -18.688 -8.713 -18.438 300 1HE LYS 5 2HE LYS 5 -18.498 -10.952 -19.650 301 2HE LYS 5 1HE LYS 5 -18.759 -11.722 -18.073 302 1HZ LYS 5 1HZ LYS 5 -20.522 -9.633 -19.238 303 2HZ LYS 5 2HZ LYS 5 -20.786 -10.493 -17.797 304 3HZ LYS 5 3HZ LYS 5 -20.853 -11.296 -19.293 305 H ASP 6 H ASP 6 -14.198 -9.780 -14.663 306 HA ASP 6 HA ASP 6 -11.915 -10.219 -16.558 307 1HB ASP 6 2HB ASP 6 -10.459 -9.915 -14.521 308 2HB ASP 6 1HB ASP 6 -11.345 -8.459 -14.976 309 H GLU 7 H GLU 7 -13.848 -12.162 -16.349 310 HA GLU 7 HA GLU 7 -13.178 -14.067 -14.208 311 1HB GLU 7 2HB GLU 7 -15.402 -13.482 -15.664 312 2HB GLU 7 1HB GLU 7 -14.789 -14.865 -16.572 313 1HG GLU 7 2HG GLU 7 -14.717 -16.208 -14.518 314 2HG GLU 7 1HG GLU 7 -15.274 -14.824 -13.577 315 H GLY 8 H GLY 8 -11.419 -13.184 -16.752 316 1HA GLY 8 2HA GLY 8 -10.682 -15.980 -17.522 317 2HA GLY 8 1HA GLY 8 -10.438 -14.580 -18.565 318 H SER 9 H SER 9 -9.154 -16.406 -15.902 319 HA SER 9 HA SER 9 -7.131 -14.487 -15.090 320 1HB SER 9 2HB SER 9 -6.328 -16.372 -13.784 321 2HB SER 9 1HB SER 9 -8.089 -16.404 -13.755 322 HG SER 9 HG SER 9 -7.708 -18.399 -14.385 323 H TYR 10 H TYR 10 -5.220 -14.063 -16.128 324 HA TYR 10 HA TYR 10 -3.854 -16.143 -17.704 325 1HB TYR 10 2HB TYR 10 -5.299 -13.763 -18.866 326 2HB TYR 10 1HB TYR 10 -3.912 -14.460 -19.704 327 HD1 TYR 10 HD1 TYR 10 -3.979 -17.170 -19.759 328 HD2 TYR 10 HD2 TYR 10 -7.393 -14.577 -19.463 329 HE1 TYR 10 HE1 TYR 10 -5.427 -18.972 -20.657 330 HE2 TYR 10 HE2 TYR 10 -8.840 -16.381 -20.362 331 HH TYR 10 HH TYR 10 -8.934 -18.617 -20.791 332 H ASP 11 H ASP 11 -3.723 -12.612 -18.089 333 HA ASP 11 HA ASP 11 -1.323 -12.394 -16.386 334 1HB ASP 11 2HB ASP 11 -0.643 -13.363 -18.629 335 2HB ASP 11 1HB ASP 11 -1.194 -11.860 -19.369 336 H LEU 12 H LEU 12 -3.563 -11.030 -15.838 337 HA LEU 12 HA LEU 12 -2.817 -8.246 -16.250 338 1HB LEU 12 2HB LEU 12 -3.781 -8.562 -18.405 339 2HB LEU 12 1HB LEU 12 -5.104 -9.530 -17.754 340 HG LEU 12 HG LEU 12 -4.778 -6.713 -16.787 341 1HD1 LEU 12 1HD1 LEU 12 -6.357 -7.338 -19.279 342 2HD1 LEU 12 2HD1 LEU 12 -4.663 -6.858 -19.380 343 3HD1 LEU 12 3HD1 LEU 12 -5.848 -5.766 -18.664 344 1HD2 LEU 12 1HD2 LEU 12 -6.591 -8.793 -16.372 345 2HD2 LEU 12 2HD2 LEU 12 -7.430 -7.717 -17.491 346 3HD2 LEU 12 3HD2 LEU 12 -6.842 -7.100 -15.947 347 H GLY 13 H GLY 13 -3.846 -6.941 -14.701 348 1HA GLY 13 2HA GLY 13 -6.302 -7.795 -13.376 349 2HA GLY 13 1HA GLY 13 -4.873 -7.954 -12.353 350 H LYS 14 H LYS 14 -3.386 -5.755 -12.970 351 HA LYS 14 HA LYS 14 -5.072 -3.563 -11.891 352 1HB LYS 14 2HB LYS 14 -2.162 -4.261 -12.093 353 2HB LYS 14 1HB LYS 14 -2.604 -2.570 -11.858 354 1HG LYS 14 2HG LYS 14 -3.447 -2.939 -9.748 355 2HG LYS 14 1HG LYS 14 -3.960 -4.582 -10.127 356 1HD LYS 14 2HD LYS 14 -1.905 -5.487 -9.632 357 2HD LYS 14 1HD LYS 14 -1.031 -4.046 -10.153 358 1HE LYS 14 2HE LYS 14 -0.912 -3.326 -8.009 359 2HE LYS 14 1HE LYS 14 -2.680 -3.384 -7.877 360 1HZ LYS 14 1HZ LYS 14 -1.206 -5.915 -7.898 361 2HZ LYS 14 2HZ LYS 14 -2.657 -5.518 -7.111 362 3HZ LYS 14 3HZ LYS 14 -1.172 -4.997 -6.473 363 H LYS 15 H LYS 15 -5.050 -1.441 -12.902 364 HA LYS 15 HA LYS 15 -4.223 -1.451 -15.787 365 1HB LYS 15 2HB LYS 15 -6.703 -0.216 -14.540 366 2HB LYS 15 1HB LYS 15 -6.321 -0.289 -16.261 367 1HG LYS 15 2HG LYS 15 -6.585 -2.652 -16.329 368 2HG LYS 15 1HG LYS 15 -6.546 -2.783 -14.570 369 1HD LYS 15 2HD LYS 15 -8.745 -2.230 -14.353 370 2HD LYS 15 1HD LYS 15 -8.664 -1.018 -15.632 371 1HE LYS 15 2HE LYS 15 -8.450 -3.075 -17.240 372 2HE LYS 15 1HE LYS 15 -9.131 -3.985 -15.878 373 1HZ LYS 15 1HZ LYS 15 -10.738 -2.834 -17.516 374 2HZ LYS 15 2HZ LYS 15 -10.314 -1.410 -16.691 375 3HZ LYS 15 3HZ LYS 15 -11.036 -2.698 -15.851 376 HA PRO 16 HA PRO 16 -2.278 2.379 -14.900 377 1HB PRO 16 2HB PRO 16 -2.588 3.701 -17.278 378 2HB PRO 16 1HB PRO 16 -1.462 2.345 -17.064 379 1HG PRO 16 2HG PRO 16 -4.167 2.384 -18.305 380 2HG PRO 16 1HG PRO 16 -2.721 1.478 -18.777 381 1HD PRO 16 2HD PRO 16 -4.825 0.386 -17.404 382 2HD PRO 16 1HD PRO 16 -3.159 -0.228 -17.319 383 H ILE 17 H ILE 17 -2.740 4.695 -14.568 384 HA ILE 17 HA ILE 17 -5.456 5.682 -15.083 385 HB ILE 17 HB ILE 17 -5.707 6.054 -12.539 386 1HG1 ILE 17 2HG1 ILE 17 -3.662 3.816 -12.504 387 2HG1 ILE 17 1HG1 ILE 17 -3.304 5.488 -12.068 388 1HG2 ILE 17 1HG2 ILE 17 -6.920 4.072 -12.360 389 2HG2 ILE 17 2HG2 ILE 17 -5.703 3.132 -13.224 390 3HG2 ILE 17 3HG2 ILE 17 -6.767 4.224 -14.110 391 1HD1 ILE 17 1HD1 ILE 17 -5.133 5.354 -10.343 392 2HD1 ILE 17 2HD1 ILE 17 -3.777 4.273 -10.028 393 3HD1 ILE 17 3HD1 ILE 17 -5.275 3.633 -10.704 394 H TYR 18 H TYR 18 -3.391 6.913 -16.162 395 HA TYR 18 HA TYR 18 -2.039 8.813 -14.412 396 1HB TYR 18 2HB TYR 18 -1.603 7.727 -16.870 397 2HB TYR 18 1HB TYR 18 -2.265 9.294 -17.334 398 HD1 TYR 18 HD1 TYR 18 -1.084 11.359 -16.849 399 HD2 TYR 18 HD2 TYR 18 0.470 7.573 -15.549 400 HE1 TYR 18 HE1 TYR 18 1.092 12.429 -16.332 401 HE2 TYR 18 HE2 TYR 18 2.645 8.642 -15.031 402 HH TYR 18 HH TYR 18 3.839 10.968 -16.059 403 H LYS 19 H LYS 19 -3.133 10.535 -13.542 404 HA LYS 19 HA LYS 19 -4.407 12.554 -15.064 405 1HB LYS 19 2HB LYS 19 -5.915 10.155 -14.809 406 2HB LYS 19 1HB LYS 19 -6.705 11.364 -13.796 407 1HG LYS 19 2HG LYS 19 -6.604 12.955 -15.750 408 2HG LYS 19 1HG LYS 19 -6.028 11.612 -16.738 409 1HD LYS 19 2HD LYS 19 -8.133 10.360 -15.841 410 2HD LYS 19 1HD LYS 19 -8.717 11.974 -15.433 411 1HE LYS 19 2HE LYS 19 -7.923 12.468 -17.957 412 2HE LYS 19 1HE LYS 19 -8.300 10.741 -18.116 413 1HZ LYS 19 1HZ LYS 19 -10.199 12.477 -18.333 414 2HZ LYS 19 2HZ LYS 19 -10.129 12.510 -16.636 415 3HZ LYS 19 3HZ LYS 19 -10.467 11.055 -17.446 416 H LYS 20 H LYS 20 -2.940 13.360 -13.224 417 HA LYS 20 HA LYS 20 -4.543 13.687 -10.708 418 1HB LYS 20 2HB LYS 20 -2.188 12.364 -10.991 419 2HB LYS 20 1HB LYS 20 -1.588 13.993 -10.675 420 1HG LYS 20 2HG LYS 20 -2.887 14.123 -8.618 421 2HG LYS 20 1HG LYS 20 -3.626 12.557 -8.952 422 1HD LYS 20 2HD LYS 20 -1.697 11.379 -8.444 423 2HD LYS 20 1HD LYS 20 -0.640 12.723 -8.876 424 1HE LYS 20 2HE LYS 20 -0.943 13.797 -6.815 425 2HE LYS 20 1HE LYS 20 -2.492 12.987 -6.512 426 1HZ LYS 20 1HZ LYS 20 -1.161 10.851 -6.559 427 2HZ LYS 20 2HZ LYS 20 -0.936 11.841 -5.197 428 3HZ LYS 20 3HZ LYS 20 0.228 11.816 -6.433 429 H ALA 21 H ALA 21 -3.609 15.740 -9.482 430 HA ALA 21 HA ALA 21 -2.656 17.893 -11.249 431 1HB ALA 21 1HB ALA 21 -4.682 19.174 -11.165 432 2HB ALA 21 2HB ALA 21 -5.383 18.108 -9.949 433 3HB ALA 21 3HB ALA 21 -5.171 17.538 -11.604 434 HA PRO 22 HA PRO 22 -2.109 18.198 -6.558 435 1HB PRO 22 2HB PRO 22 0.493 17.365 -6.379 436 2HB PRO 22 1HB PRO 22 -0.888 16.260 -6.228 437 1HG PRO 22 2HG PRO 22 0.902 16.747 -8.555 438 2HG PRO 22 1HG PRO 22 0.177 15.236 -7.984 439 1HD PRO 22 2HD PRO 22 -0.774 16.678 -10.110 440 2HD PRO 22 1HD PRO 22 -1.775 15.596 -9.120 441 H THR 23 H THR 23 -0.899 19.415 -9.421 442 HA THR 23 HA THR 23 -0.142 21.949 -8.293 443 HB THR 23 HB THR 23 1.737 20.514 -7.502 444 HG1 THR 23 HG1 THR 23 2.517 22.467 -7.772 445 1HG2 THR 23 1HG2 THR 23 2.829 19.070 -8.861 446 2HG2 THR 23 2HG2 THR 23 2.933 20.249 -10.168 447 3HG2 THR 23 3HG2 THR 23 1.468 19.292 -9.960 448 H ASN 24 H ASN 24 1.959 22.415 -10.346 449 HA ASN 24 HA ASN 24 0.388 22.070 -12.869 450 1HB ASN 24 2HB ASN 24 0.147 24.310 -11.521 451 2HB ASN 24 1HB ASN 24 1.754 24.659 -12.161 452 1HD2 ASN 24 1HD2 ASN 24 1.971 24.942 -14.496 453 2HD2 ASN 24 2HD2 ASN 24 0.613 25.169 -15.489 454 H GLU 25 H GLU 25 2.507 20.439 -12.457 455 HA GLU 25 HA GLU 25 4.633 21.624 -14.197 456 1HB GLU 25 2HB GLU 25 5.008 21.484 -11.586 457 2HB GLU 25 1HB GLU 25 5.297 19.776 -11.921 458 1HG GLU 25 2HG GLU 25 7.284 20.187 -12.947 459 2HG GLU 25 1HG GLU 25 6.669 21.623 -13.765 460 H PHE 26 H PHE 26 5.809 19.989 -15.429 461 HA PHE 26 HA PHE 26 4.450 17.314 -15.517 462 1HB PHE 26 2HB PHE 26 4.067 19.220 -17.340 463 2HB PHE 26 1HB PHE 26 5.603 18.613 -17.960 464 HD1 PHE 26 HD1 PHE 26 5.660 15.836 -17.720 465 HD2 PHE 26 HD2 PHE 26 2.218 18.310 -18.415 466 HE1 PHE 26 HE1 PHE 26 4.485 13.912 -18.754 467 HE2 PHE 26 HE2 PHE 26 1.043 16.386 -19.448 468 HZ PHE 26 HZ PHE 26 2.177 14.186 -19.617 469 H TYR 27 H TYR 27 5.971 15.830 -14.883 470 HA TYR 27 HA TYR 27 8.818 16.277 -15.715 471 1HB TYR 27 2HB TYR 27 8.135 16.264 -13.254 472 2HB TYR 27 1HB TYR 27 7.747 14.556 -13.463 473 HD1 TYR 27 HD1 TYR 27 10.379 16.986 -12.971 474 HD2 TYR 27 HD2 TYR 27 9.565 12.973 -14.265 475 HE1 TYR 27 HE1 TYR 27 12.772 16.406 -12.675 476 HE2 TYR 27 HE2 TYR 27 11.958 12.391 -13.969 477 HH TYR 27 HH TYR 27 14.121 13.505 -13.888 478 H ALA 28 HN ALA 28 9.694 14.754 -17.076 479 HA ALA 28 HA ALA 28 8.883 11.962 -17.060 480 1HB ALA 28 1HB ALA 28 6.987 13.292 -18.172 481 2HB ALA 28 2HB ALA 28 7.637 11.943 -19.104 482 3HB ALA 28 3HB ALA 28 8.117 13.595 -19.492 Start of MODEL 2 1 1H ARG 1 1HT ARG 1 -5.184 -16.264 2.758 2 2H ARG 1 2HT ARG 1 -6.065 -15.309 1.663 3 3H ARG 1 3HT ARG 1 -4.493 -14.853 2.119 4 HA ARG 1 HA ARG 1 -5.178 -17.308 0.580 5 1HB ARG 1 2HB ARG 1 -5.407 -14.791 -0.295 6 2HB ARG 1 1HB ARG 1 -3.660 -14.956 -0.475 7 1HG ARG 1 2HG ARG 1 -3.915 -16.883 -1.906 8 2HG ARG 1 1HG ARG 1 -5.650 -16.949 -1.589 9 1HD ARG 1 2HD ARG 1 -5.808 -15.738 -3.529 10 2HD ARG 1 1HD ARG 1 -5.350 -14.366 -2.501 11 HE ARG 1 HE ARG 1 -2.929 -15.566 -3.143 12 1HH1 ARG 1 1HH2 ARG 1 -4.056 -12.843 -4.120 13 2HH1 ARG 1 2HH2 ARG 1 -3.823 -13.011 -5.828 14 1HH2 ARG 1 1HH1 ARG 1 -3.297 -16.435 -5.687 15 2HH2 ARG 1 2HH1 ARG 1 -3.390 -15.044 -6.714 16 H MET 2 H MET 2 -3.428 -18.693 0.348 17 HA MET 2 HA MET 2 -0.990 -18.078 1.915 18 1HB MET 2 2HB MET 2 -2.359 -20.456 0.724 19 2HB MET 2 1HB MET 2 -0.622 -20.571 1.014 20 1HG MET 2 2HG MET 2 -2.574 -19.638 3.128 21 2HG MET 2 1HG MET 2 -2.102 -21.327 2.944 22 1HE MET 2 1HE MET 2 -0.894 -17.769 4.411 23 2HE MET 2 2HE MET 2 -0.417 -18.763 5.785 24 3HE MET 2 3HE MET 2 -2.005 -18.986 5.056 25 H LYS 3 H LYS 3 -0.835 -16.360 -0.112 26 HA LYS 3 HA LYS 3 0.415 -15.728 -2.019 27 1HB LYS 3 2HB LYS 3 1.914 -17.332 -0.249 28 2HB LYS 3 1HB LYS 3 2.306 -17.919 -1.866 29 1HG LYS 3 2HG LYS 3 3.303 -15.950 -2.489 30 2HG LYS 3 1HG LYS 3 2.206 -14.966 -1.518 31 1HD LYS 3 2HD LYS 3 3.914 -14.766 -0.050 32 2HD LYS 3 1HD LYS 3 3.590 -16.445 0.381 33 1HE LYS 3 2HE LYS 3 5.609 -17.046 -0.445 34 2HE LYS 3 1HE LYS 3 5.151 -16.406 -2.036 35 1HZ LYS 3 1HZ LYS 3 6.124 -14.768 0.247 36 2HZ LYS 3 2HZ LYS 3 5.726 -14.194 -1.302 37 3HZ LYS 3 3HZ LYS 3 7.065 -15.220 -1.090 38 H LYS 4 H LYS 4 1.902 -17.454 -3.773 39 HA LYS 4 HA LYS 4 -0.344 -18.624 -5.307 40 1HB LYS 4 2HB LYS 4 2.601 -18.138 -5.857 41 2HB LYS 4 1HB LYS 4 1.471 -18.786 -7.047 42 1HG LYS 4 2HG LYS 4 0.072 -16.619 -6.252 43 2HG LYS 4 1HG LYS 4 1.709 -16.025 -5.971 44 1HD LYS 4 2HD LYS 4 2.282 -16.786 -8.319 45 2HD LYS 4 1HD LYS 4 0.561 -17.080 -8.566 46 1HE LYS 4 2HE LYS 4 0.150 -14.666 -7.879 47 2HE LYS 4 1HE LYS 4 1.906 -14.430 -7.967 48 1HZ LYS 4 1HZ LYS 4 0.281 -15.602 -10.158 49 2HZ LYS 4 2HZ LYS 4 1.922 -15.166 -10.219 50 3HZ LYS 4 3HZ LYS 4 0.726 -13.967 -10.093 51 H LYS 5 H LYS 5 0.024 -20.169 -3.062 52 HA LYS 5 HA LYS 5 1.956 -22.309 -3.430 53 1HB LYS 5 2HB LYS 5 0.749 -21.389 -1.312 54 2HB LYS 5 1HB LYS 5 -0.584 -22.433 -1.806 55 1HG LYS 5 2HG LYS 5 0.850 -24.392 -1.732 56 2HG LYS 5 1HG LYS 5 2.264 -23.389 -1.404 57 1HD LYS 5 2HD LYS 5 1.126 -22.600 0.699 58 2HD LYS 5 1HD LYS 5 -0.140 -23.791 0.396 59 1HE LYS 5 2HE LYS 5 1.149 -25.461 1.228 60 2HE LYS 5 1HE LYS 5 2.513 -24.993 0.194 61 1HZ LYS 5 1HZ LYS 5 3.274 -24.507 2.320 62 2HZ LYS 5 2HZ LYS 5 1.762 -23.938 2.849 63 3HZ LYS 5 3HZ LYS 5 2.697 -23.006 1.781 64 H ASP 6 H ASP 6 -1.628 -22.259 -3.644 65 HA ASP 6 HA ASP 6 -1.842 -24.865 -4.839 66 1HB ASP 6 2HB ASP 6 -4.166 -24.114 -5.246 67 2HB ASP 6 1HB ASP 6 -3.635 -23.666 -3.625 68 H GLU 7 H GLU 7 -2.490 -25.312 -7.091 69 HA GLU 7 HA GLU 7 -0.939 -23.750 -9.024 70 1HB GLU 7 2HB GLU 7 -2.564 -26.269 -8.944 71 2HB GLU 7 1HB GLU 7 -2.181 -25.567 -10.515 72 1HG GLU 7 2HG GLU 7 0.117 -25.648 -8.690 73 2HG GLU 7 1HG GLU 7 -0.520 -27.245 -9.083 74 H GLY 8 H GLY 8 -1.759 -22.130 -10.295 75 1HA GLY 8 2HA GLY 8 -4.538 -22.115 -11.171 76 2HA GLY 8 1HA GLY 8 -4.193 -20.863 -9.977 77 H SER 9 H SER 9 -4.918 -19.801 -12.273 78 HA SER 9 HA SER 9 -2.616 -19.419 -14.084 79 1HB SER 9 2HB SER 9 -5.477 -18.438 -13.956 80 2HB SER 9 1HB SER 9 -4.355 -17.916 -15.210 81 HG SER 9 HG SER 9 -5.735 -20.219 -14.990 82 H TYR 10 H TYR 10 -2.212 -16.998 -14.706 83 HA TYR 10 HA TYR 10 -1.648 -15.528 -12.191 84 1HB TYR 10 2HB TYR 10 -0.789 -15.323 -15.087 85 2HB TYR 10 1HB TYR 10 -0.333 -14.112 -13.887 86 HD1 TYR 10 HD1 TYR 10 1.617 -14.433 -12.639 87 HD2 TYR 10 HD2 TYR 10 -0.357 -17.833 -14.377 88 HE1 TYR 10 HE1 TYR 10 3.455 -15.901 -11.853 89 HE2 TYR 10 HE2 TYR 10 1.483 -19.302 -13.590 90 HH TYR 10 HH TYR 10 3.907 -18.187 -11.380 91 H ASP 11 H ASP 11 -1.975 -13.071 -12.333 92 HA ASP 11 HA ASP 11 -4.232 -12.215 -14.055 93 1HB ASP 11 2HB ASP 11 -5.076 -13.372 -11.943 94 2HB ASP 11 1HB ASP 11 -4.361 -12.043 -11.033 95 H LEU 12 H LEU 12 -2.029 -11.030 -14.613 96 HA LEU 12 HA LEU 12 -2.211 -8.332 -13.523 97 1HB LEU 12 2HB LEU 12 -0.983 -9.459 -11.739 98 2HB LEU 12 1HB LEU 12 0.152 -10.133 -12.909 99 HG LEU 12 HG LEU 12 -0.232 -7.158 -12.777 100 1HD1 LEU 12 1HD1 LEU 12 0.554 -7.059 -10.669 101 2HD1 LEU 12 2HD1 LEU 12 2.041 -7.821 -11.233 102 3HD1 LEU 12 3HD1 LEU 12 0.724 -8.813 -10.610 103 1HD2 LEU 12 1HD2 LEU 12 1.549 -7.183 -14.167 104 2HD2 LEU 12 2HD2 LEU 12 1.345 -8.932 -14.268 105 3HD2 LEU 12 3HD2 LEU 12 2.454 -8.240 -13.085 106 H GLY 13 H GLY 13 -1.274 -6.862 -14.976 107 1HA GLY 13 2HA GLY 13 0.761 -7.685 -16.889 108 2HA GLY 13 1HA GLY 13 -0.827 -7.490 -17.631 109 H LYS 14 H LYS 14 -1.866 -5.311 -16.347 110 HA LYS 14 HA LYS 14 0.012 -3.148 -17.199 111 1HB LYS 14 2HB LYS 14 -2.972 -3.507 -17.002 112 2HB LYS 14 1HB LYS 14 -2.283 -1.885 -17.084 113 1HG LYS 14 2HG LYS 14 -1.133 -2.455 -19.175 114 2HG LYS 14 1HG LYS 14 -1.763 -4.101 -19.088 115 1HD LYS 14 2HD LYS 14 -3.981 -3.404 -19.482 116 2HD LYS 14 1HD LYS 14 -3.623 -1.728 -19.061 117 1HE LYS 14 2HE LYS 14 -3.678 -1.618 -21.406 118 2HE LYS 14 1HE LYS 14 -1.950 -1.903 -21.118 119 1HZ LYS 14 1HZ LYS 14 -3.183 -3.467 -22.724 120 2HZ LYS 14 2HZ LYS 14 -3.840 -4.162 -21.320 121 3HZ LYS 14 3HZ LYS 14 -2.158 -4.155 -21.561 122 H LYS 15 H LYS 15 0.112 -1.201 -15.843 123 HA LYS 15 HA LYS 15 -0.620 -1.693 -12.974 124 1HB LYS 15 2HB LYS 15 1.939 -0.991 -14.335 125 2HB LYS 15 1HB LYS 15 1.623 -0.206 -12.788 126 1HG LYS 15 2HG LYS 15 0.900 -2.805 -12.257 127 2HG LYS 15 1HG LYS 15 2.259 -3.022 -13.363 128 1HD LYS 15 2HD LYS 15 3.477 -1.274 -11.894 129 2HD LYS 15 1HD LYS 15 2.216 -1.598 -10.705 130 1HE LYS 15 2HE LYS 15 2.994 -3.721 -10.257 131 2HE LYS 15 1HE LYS 15 3.553 -3.975 -11.923 132 1HZ LYS 15 1HZ LYS 15 5.206 -2.133 -11.427 133 2HZ LYS 15 2HZ LYS 15 5.502 -3.636 -10.690 134 3HZ LYS 15 3HZ LYS 15 4.827 -2.363 -9.790 135 HA PRO 16 HA PRO 16 -2.343 2.343 -13.006 136 1HB PRO 16 2HB PRO 16 -1.692 3.267 -10.514 137 2HB PRO 16 1HB PRO 16 -2.912 2.006 -10.787 138 1HG PRO 16 2HG PRO 16 -0.086 1.741 -9.897 139 2HG PRO 16 1HG PRO 16 -1.522 0.845 -9.381 140 1HD PRO 16 2HD PRO 16 0.327 -0.134 -11.137 141 2HD PRO 16 1HD PRO 16 -1.377 -0.640 -11.112 142 H ILE 17 H ILE 17 -1.768 4.679 -12.959 143 HA ILE 17 HA ILE 17 1.053 5.415 -12.688 144 HB ILE 17 HB ILE 17 0.934 6.288 -15.134 145 1HG1 ILE 17 2HG1 ILE 17 -1.162 4.100 -15.241 146 2HG1 ILE 17 1HG1 ILE 17 -1.504 5.826 -15.385 147 1HG2 ILE 17 1HG2 ILE 17 2.078 4.389 -15.838 148 2HG2 ILE 17 2HG2 ILE 17 0.974 3.294 -15.006 149 3HG2 ILE 17 3HG2 ILE 17 2.170 4.206 -14.086 150 1HD1 ILE 17 1HD1 ILE 17 -1.084 5.673 -17.590 151 2HD1 ILE 17 2HD1 ILE 17 -0.574 3.993 -17.415 152 3HD1 ILE 17 3HD1 ILE 17 0.594 5.296 -17.199 153 H TYR 18 H TYR 18 -0.926 6.420 -11.157 154 HA TYR 18 HA TYR 18 -2.236 8.758 -12.300 155 1HB TYR 18 2HB TYR 18 -2.460 7.123 -10.063 156 2HB TYR 18 1HB TYR 18 -1.878 8.645 -9.390 157 HD1 TYR 18 HD1 TYR 18 -4.756 6.868 -10.337 158 HD2 TYR 18 HD2 TYR 18 -3.060 10.815 -10.435 159 HE1 TYR 18 HE1 TYR 18 -7.028 7.839 -10.566 160 HE2 TYR 18 HE2 TYR 18 -5.331 11.787 -10.664 161 HH TYR 18 HH TYR 18 -8.224 9.695 -10.737 162 H LYS 19 H LYS 19 -0.744 10.318 -13.040 163 HA LYS 19 HA LYS 19 0.757 11.794 -10.996 164 1HB LYS 19 2HB LYS 19 1.959 9.602 -12.212 165 2HB LYS 19 1HB LYS 19 2.563 10.968 -13.150 166 1HG LYS 19 2HG LYS 19 3.108 12.094 -10.932 167 2HG LYS 19 1HG LYS 19 2.777 10.541 -10.163 168 1HD LYS 19 2HD LYS 19 4.633 10.582 -12.508 169 2HD LYS 19 1HD LYS 19 5.236 11.175 -10.959 170 1HE LYS 19 2HE LYS 19 4.674 9.063 -9.873 171 2HE LYS 19 1HE LYS 19 3.920 8.465 -11.364 172 1HZ LYS 19 1HZ LYS 19 6.229 7.717 -11.164 173 2HZ LYS 19 2HZ LYS 19 6.751 9.333 -11.102 174 3HZ LYS 19 3HZ LYS 19 6.019 8.728 -12.510 175 H LYS 20 H LYS 20 -1.255 12.073 -13.357 176 HA LYS 20 HA LYS 20 -0.185 13.529 -15.506 177 1HB LYS 20 2HB LYS 20 -2.599 12.747 -14.864 178 2HB LYS 20 1HB LYS 20 -2.727 14.332 -14.100 179 1HG LYS 20 2HG LYS 20 -3.418 14.963 -16.189 180 2HG LYS 20 1HG LYS 20 -1.683 15.059 -16.490 181 1HD LYS 20 2HD LYS 20 -1.637 13.065 -17.678 182 2HD LYS 20 1HD LYS 20 -3.057 12.422 -16.853 183 1HE LYS 20 2HE LYS 20 -4.490 14.057 -18.063 184 2HE LYS 20 1HE LYS 20 -3.055 14.643 -18.930 185 1HZ LYS 20 1HZ LYS 20 -2.656 12.444 -19.768 186 2HZ LYS 20 2HZ LYS 20 -4.251 12.880 -20.152 187 3HZ LYS 20 3HZ LYS 20 -3.945 11.809 -18.869 188 H ALA 21 H ALA 21 0.073 15.842 -15.832 189 HA ALA 21 HA ALA 21 0.175 17.525 -13.372 190 1HB ALA 21 1HB ALA 21 2.377 16.324 -13.918 191 2HB ALA 21 2HB ALA 21 2.470 18.077 -13.753 192 3HB ALA 21 3HB ALA 21 2.453 17.342 -15.355 193 HA PRO 22 HA PRO 22 -1.429 19.637 -17.202 194 1HB PRO 22 2HB PRO 22 -3.843 20.372 -16.149 195 2HB PRO 22 1HB PRO 22 -3.578 18.816 -16.958 196 1HG PRO 22 2HG PRO 22 -3.719 19.440 -14.057 197 2HG PRO 22 1HG PRO 22 -4.305 18.022 -14.937 198 1HD PRO 22 2HD PRO 22 -1.992 18.071 -13.466 199 2HD PRO 22 1HD PRO 22 -2.288 16.961 -14.823 200 H THR 23 H THR 23 -2.840 21.975 -16.801 201 HA THR 23 HA THR 23 -0.892 23.616 -15.290 202 HB THR 23 HB THR 23 -2.129 25.455 -16.483 203 HG1 THR 23 HG1 THR 23 -3.671 24.790 -18.006 204 1HG2 THR 23 1HG2 THR 23 -0.239 23.805 -17.443 205 2HG2 THR 23 2HG2 THR 23 -0.951 25.091 -18.419 206 3HG2 THR 23 3HG2 THR 23 -1.532 23.434 -18.584 207 H ASN 24 H ASN 24 -4.259 24.459 -15.698 208 HA ASN 24 HA ASN 24 -4.707 24.197 -12.750 209 1HB ASN 24 2HB ASN 24 -3.952 26.501 -13.552 210 2HB ASN 24 1HB ASN 24 -5.481 26.597 -14.428 211 1HD2 ASN 24 1HD2 ASN 24 -6.158 28.396 -12.994 212 2HD2 ASN 24 2HD2 ASN 24 -6.676 28.077 -11.409 213 H GLU 25 H GLU 25 -5.848 22.253 -14.033 214 HA GLU 25 HA GLU 25 -8.481 23.075 -15.143 215 1HB GLU 25 2HB GLU 25 -6.854 21.353 -16.148 216 2HB GLU 25 1HB GLU 25 -7.334 20.294 -14.822 217 1HG GLU 25 2HG GLU 25 -9.451 19.979 -15.653 218 2HG GLU 25 1HG GLU 25 -9.528 21.597 -16.353 219 H PHE 26 H PHE 26 -10.106 23.310 -13.652 220 HA PHE 26 HA PHE 26 -10.395 21.227 -11.537 221 1HB PHE 26 2HB PHE 26 -9.102 23.191 -10.673 222 2HB PHE 26 1HB PHE 26 -10.475 24.226 -11.070 223 HD1 PHE 26 HD1 PHE 26 -12.650 23.938 -9.896 224 HD2 PHE 26 HD2 PHE 26 -9.143 21.729 -8.760 225 HE1 PHE 26 HE1 PHE 26 -13.721 23.349 -7.736 226 HE2 PHE 26 HE2 PHE 26 -10.214 21.140 -6.599 227 HZ PHE 26 HZ PHE 26 -12.502 21.951 -6.088 228 H TYR 27 H TYR 27 -11.857 24.214 -12.892 229 HA TYR 27 HA TYR 27 -14.567 23.238 -12.255 230 1HB TYR 27 2HB TYR 27 -13.933 25.596 -11.974 231 2HB TYR 27 1HB TYR 27 -13.504 25.699 -13.682 232 HD1 TYR 27 HD1 TYR 27 -15.149 26.141 -15.328 233 HD2 TYR 27 HD2 TYR 27 -16.344 25.014 -11.357 234 HE1 TYR 27 HE1 TYR 27 -17.510 26.659 -15.891 235 HE2 TYR 27 HE2 TYR 27 -18.705 25.531 -11.920 236 HH TYR 27 HH TYR 27 -19.706 26.216 -15.184 237 H ALA 28 HN ALA 28 -13.909 21.295 -13.821 238 HA ALA 28 HA ALA 28 -14.953 22.003 -16.540 239 1HB ALA 28 1HB ALA 28 -13.281 20.262 -17.355 240 2HB ALA 28 2HB ALA 28 -12.592 20.282 -15.733 241 3HB ALA 28 3HB ALA 28 -12.564 21.743 -16.720 242 1H ARG 1 1HT ARG 1 -0.070 -12.800 -33.913 243 2H ARG 1 2HT ARG 1 0.828 -12.125 -32.638 244 3H ARG 1 3HT ARG 1 -0.704 -11.502 -33.024 245 HA ARG 1 HA ARG 1 -0.192 -14.244 -31.980 246 1HB ARG 1 2HB ARG 1 0.144 -11.960 -30.627 247 2HB ARG 1 1HB ARG 1 -1.614 -12.057 -30.514 248 1HG ARG 1 2HG ARG 1 -1.499 -14.236 -29.482 249 2HG ARG 1 1HG ARG 1 0.237 -14.339 -29.776 250 1HD ARG 1 2HD ARG 1 0.404 -13.539 -27.633 251 2HD ARG 1 1HD ARG 1 0.048 -11.968 -28.381 252 HE ARG 1 HE ARG 1 -2.450 -13.130 -28.029 253 1HH1 ARG 1 1HH2 ARG 1 -1.211 -10.719 -26.518 254 2HH1 ARG 1 2HH2 ARG 1 -1.503 -11.203 -24.880 255 1HH2 ARG 1 1HH1 ARG 1 -2.201 -14.499 -25.699 256 2HH2 ARG 1 2HH1 ARG 1 -2.061 -13.342 -24.416 257 H MET 2 H MET 2 -2.018 -15.546 -32.056 258 HA MET 2 HA MET 2 -4.375 -14.502 -33.515 259 1HB MET 2 2HB MET 2 -3.168 -17.140 -32.787 260 2HB MET 2 1HB MET 2 -4.900 -17.096 -33.125 261 1HG MET 2 2HG MET 2 -2.840 -15.886 -34.982 262 2HG MET 2 1HG MET 2 -3.407 -17.548 -35.138 263 1HE MET 2 1HE MET 2 -4.382 -13.709 -35.904 264 2HE MET 2 2HE MET 2 -4.873 -14.387 -37.454 265 3HE MET 2 3HE MET 2 -3.320 -14.838 -36.757 266 H LYS 3 H LYS 3 -4.495 -13.204 -31.191 267 HA LYS 3 HA LYS 3 -5.764 -12.881 -29.221 268 1HB LYS 3 2HB LYS 3 -7.296 -14.024 -31.297 269 2HB LYS 3 1HB LYS 3 -7.763 -14.891 -29.833 270 1HG LYS 3 2HG LYS 3 -8.675 -13.028 -28.856 271 2HG LYS 3 1HG LYS 3 -7.501 -11.938 -29.596 272 1HD LYS 3 2HD LYS 3 -9.154 -11.360 -31.027 273 2HD LYS 3 1HD LYS 3 -8.906 -12.940 -31.773 274 1HE LYS 3 2HE LYS 3 -10.978 -13.572 -31.116 275 2HE LYS 3 1HE LYS 3 -10.533 -13.279 -29.422 276 1HZ LYS 3 1HZ LYS 3 -11.352 -11.178 -31.358 277 2HZ LYS 3 2HZ LYS 3 -10.970 -10.939 -29.720 278 3HZ LYS 3 3HZ LYS 3 -12.353 -11.825 -30.151 279 H LYS 4 H LYS 4 -7.392 -14.833 -27.866 280 HA LYS 4 HA LYS 4 -5.253 -16.400 -26.550 281 1HB LYS 4 2HB LYS 4 -8.183 -15.863 -25.967 282 2HB LYS 4 1HB LYS 4 -7.123 -16.792 -24.907 283 1HG LYS 4 2HG LYS 4 -5.590 -14.597 -25.237 284 2HG LYS 4 1HG LYS 4 -7.185 -13.866 -25.427 285 1HD LYS 4 2HD LYS 4 -7.866 -15.033 -23.284 286 2HD LYS 4 1HD LYS 4 -6.170 -15.470 -23.067 287 1HE LYS 4 2HE LYS 4 -5.612 -12.995 -23.263 288 2HE LYS 4 1HE LYS 4 -7.355 -12.678 -23.161 289 1HZ LYS 4 1HZ LYS 4 -5.856 -14.346 -21.213 290 2HZ LYS 4 2HZ LYS 4 -7.474 -13.839 -21.098 291 3HZ LYS 4 3HZ LYS 4 -6.214 -12.706 -20.965 292 H LYS 5 H LYS 5 -5.638 -17.456 -29.059 293 HA LYS 5 HA LYS 5 -7.689 -19.514 -29.151 294 1HB LYS 5 2HB LYS 5 -6.383 -18.268 -31.027 295 2HB LYS 5 1HB LYS 5 -5.116 -19.457 -30.726 296 1HG LYS 5 2HG LYS 5 -6.644 -21.285 -31.204 297 2HG LYS 5 1HG LYS 5 -7.996 -20.162 -31.355 298 1HD LYS 5 2HD LYS 5 -6.757 -19.044 -33.244 299 2HD LYS 5 1HD LYS 5 -5.565 -20.342 -33.156 300 1HE LYS 5 2HE LYS 5 -6.913 -21.742 -34.322 301 2HE LYS 5 1HE LYS 5 -8.281 -21.407 -33.241 302 1HZ LYS 5 1HZ LYS 5 -8.955 -20.474 -35.244 303 2HZ LYS 5 2HZ LYS 5 -7.402 -19.903 -35.626 304 3HZ LYS 5 3HZ LYS 5 -8.315 -19.142 -34.411 305 H ASP 6 H ASP 6 -4.113 -19.709 -28.868 306 HA ASP 6 HA ASP 6 -4.071 -22.506 -28.203 307 1HB ASP 6 2HB ASP 6 -1.723 -21.984 -27.616 308 2HB ASP 6 1HB ASP 6 -2.182 -21.200 -29.127 309 H GLU 7 H GLU 7 -3.511 -23.419 -26.072 310 HA GLU 7 HA GLU 7 -5.032 -22.178 -23.898 311 1HB GLU 7 2HB GLU 7 -3.542 -24.723 -24.440 312 2HB GLU 7 1HB GLU 7 -3.931 -24.317 -22.769 313 1HG GLU 7 2HG GLU 7 -6.178 -23.912 -24.615 314 2HG GLU 7 1HG GLU 7 -5.637 -25.589 -24.529 315 H GLY 8 H GLY 8 -4.166 -20.883 -22.320 316 1HA GLY 8 2HA GLY 8 -1.420 -21.202 -21.403 317 2HA GLY 8 1HA GLY 8 -1.657 -19.725 -22.339 318 H SER 9 H SER 9 -0.948 -19.171 -19.864 319 HA SER 9 HA SER 9 -3.278 -19.010 -18.059 320 1HB SER 9 2HB SER 9 -0.368 -18.188 -17.943 321 2HB SER 9 1HB SER 9 -1.496 -17.856 -16.631 322 HG SER 9 HG SER 9 -0.232 -20.148 -17.270 323 H TYR 10 H TYR 10 -3.575 -16.740 -16.985 324 HA TYR 10 HA TYR 10 -3.989 -14.777 -19.170 325 1HB TYR 10 2HB TYR 10 -4.915 -15.092 -16.307 326 2HB TYR 10 1HB TYR 10 -5.275 -13.647 -17.252 327 HD1 TYR 10 HD1 TYR 10 -7.200 -13.607 -18.574 328 HD2 TYR 10 HD2 TYR 10 -5.459 -17.387 -17.503 329 HE1 TYR 10 HE1 TYR 10 -9.088 -14.787 -19.667 330 HE2 TYR 10 HE2 TYR 10 -7.347 -18.568 -18.595 331 HH TYR 10 HH TYR 10 -9.646 -16.907 -20.586 332 H ASP 11 H ASP 11 -3.535 -12.418 -18.547 333 HA ASP 11 HA ASP 11 -1.284 -12.043 -16.651 334 1HB ASP 11 2HB ASP 11 -0.445 -12.812 -18.936 335 2HB ASP 11 1HB ASP 11 -1.067 -11.291 -19.579 336 H LEU 12 H LEU 12 -3.442 -10.867 -15.913 337 HA LEU 12 HA LEU 12 -3.084 -8.024 -16.448 338 1HB LEU 12 2HB LEU 12 -4.319 -8.710 -18.440 339 2HB LEU 12 1HB LEU 12 -5.520 -9.532 -17.444 340 HG LEU 12 HG LEU 12 -4.979 -6.615 -16.987 341 1HD1 LEU 12 1HD1 LEU 12 -5.696 -6.065 -19.050 342 2HD1 LEU 12 2HD1 LEU 12 -7.237 -6.834 -18.671 343 3HD1 LEU 12 3HD1 LEU 12 -5.957 -7.762 -19.452 344 1HD2 LEU 12 1HD2 LEU 12 -6.798 -6.809 -15.661 345 2HD2 LEU 12 2HD2 LEU 12 -6.688 -8.552 -15.902 346 3HD2 LEU 12 3HD2 LEU 12 -7.725 -7.582 -16.946 347 H GLY 13 H GLY 13 -3.984 -6.813 -14.754 348 1HA GLY 13 2HA GLY 13 -6.117 -7.872 -13.077 349 2HA GLY 13 1HA GLY 13 -4.543 -7.915 -12.279 350 H LYS 14 H LYS 14 -3.354 -5.592 -13.098 351 HA LYS 14 HA LYS 14 -5.138 -3.533 -11.872 352 1HB LYS 14 2HB LYS 14 -2.174 -4.016 -12.084 353 2HB LYS 14 1HB LYS 14 -2.778 -2.404 -11.699 354 1HG LYS 14 2HG LYS 14 -4.015 -3.302 -9.778 355 2HG LYS 14 1HG LYS 14 -3.475 -4.933 -10.174 356 1HD LYS 14 2HD LYS 14 -1.234 -4.460 -9.614 357 2HD LYS 14 1HD LYS 14 -1.486 -2.716 -9.708 358 1HE LYS 14 2HE LYS 14 -1.493 -3.061 -7.386 359 2HE LYS 14 1HE LYS 14 -3.225 -3.186 -7.755 360 1HZ LYS 14 1HZ LYS 14 -2.123 -5.098 -6.460 361 2HZ LYS 14 2HZ LYS 14 -1.465 -5.546 -7.960 362 3HZ LYS 14 3HZ LYS 14 -3.150 -5.489 -7.752 363 H LYS 15 H LYS 15 -5.101 -1.357 -12.821 364 HA LYS 15 HA LYS 15 -4.314 -1.320 -15.718 365 1HB LYS 15 2HB LYS 15 -6.871 -0.755 -14.292 366 2HB LYS 15 1HB LYS 15 -6.469 0.298 -15.651 367 1HG LYS 15 2HG LYS 15 -5.868 -2.184 -16.666 368 2HG LYS 15 1HG LYS 15 -7.266 -2.535 -15.649 369 1HD LYS 15 2HD LYS 15 -8.350 -0.470 -16.770 370 2HD LYS 15 1HD LYS 15 -7.073 -0.627 -17.976 371 1HE LYS 15 2HE LYS 15 -7.947 -2.576 -18.844 372 2HE LYS 15 1HE LYS 15 -8.565 -3.116 -17.270 373 1HZ LYS 15 1HZ LYS 15 -10.105 -1.123 -17.425 374 2HZ LYS 15 2HZ LYS 15 -10.458 -2.434 -18.447 375 3HZ LYS 15 3HZ LYS 15 -9.691 -1.050 -19.067 376 HA PRO 16 HA PRO 16 -2.383 2.523 -14.870 377 1HB PRO 16 2HB PRO 16 -2.913 3.948 -17.145 378 2HB PRO 16 1HB PRO 16 -1.769 2.591 -17.099 379 1HG PRO 16 2HG PRO 16 -4.578 2.666 -18.075 380 2HG PRO 16 1HG PRO 16 -3.177 1.805 -18.730 381 1HD PRO 16 2HD PRO 16 -5.125 0.613 -17.232 382 2HD PRO 16 1HD PRO 16 -3.450 0.025 -17.323 383 H ILE 17 H ILE 17 -2.828 4.849 -14.460 384 HA ILE 17 HA ILE 17 -5.594 5.791 -14.635 385 HB ILE 17 HB ILE 17 -5.498 6.161 -12.064 386 1HG1 ILE 17 2HG1 ILE 17 -3.522 3.881 -12.361 387 2HG1 ILE 17 1HG1 ILE 17 -3.097 5.521 -11.867 388 1HG2 ILE 17 1HG2 ILE 17 -6.763 4.230 -11.770 389 2HG2 ILE 17 2HG2 ILE 17 -5.695 3.256 -12.778 390 3HG2 ILE 17 3HG2 ILE 17 -6.813 4.397 -13.524 391 1HD1 ILE 17 1HD1 ILE 17 -3.587 4.957 -9.746 392 2HD1 ILE 17 2HD1 ILE 17 -4.166 3.374 -10.262 393 3HD1 ILE 17 3HD1 ILE 17 -5.269 4.749 -10.232 394 H TYR 18 H TYR 18 -3.545 6.967 -15.914 395 HA TYR 18 HA TYR 18 -2.138 8.959 -14.311 396 1HB TYR 18 2HB TYR 18 -1.933 7.775 -16.820 397 2HB TYR 18 1HB TYR 18 -2.414 9.430 -17.193 398 HD1 TYR 18 HD1 TYR 18 0.338 7.339 -16.559 399 HD2 TYR 18 HD2 TYR 18 -1.149 11.284 -15.723 400 HE1 TYR 18 HE1 TYR 18 2.651 8.115 -16.104 401 HE2 TYR 18 HE2 TYR 18 1.164 12.059 -15.267 402 HH TYR 18 HH TYR 18 3.938 9.828 -15.554 403 H LYS 19 H LYS 19 -3.566 10.420 -13.308 404 HA LYS 19 HA LYS 19 -4.930 12.348 -15.047 405 1HB LYS 19 2HB LYS 19 -6.275 10.033 -14.302 406 2HB LYS 19 1HB LYS 19 -6.835 11.224 -13.127 407 1HG LYS 19 2HG LYS 19 -7.257 12.786 -15.094 408 2HG LYS 19 1HG LYS 19 -6.984 11.395 -16.145 409 1HD LYS 19 2HD LYS 19 -8.904 11.086 -13.872 410 2HD LYS 19 1HD LYS 19 -9.429 12.001 -15.286 411 1HE LYS 19 2HE LYS 19 -8.947 10.110 -16.753 412 2HE LYS 19 1HE LYS 19 -8.268 9.193 -15.395 413 1HZ LYS 19 1HZ LYS 19 -10.607 8.631 -15.774 414 2HZ LYS 19 2HZ LYS 19 -11.042 10.254 -15.531 415 3HZ LYS 19 3HZ LYS 19 -10.381 9.349 -14.255 416 H LYS 20 H LYS 20 -2.969 12.046 -12.643 417 HA LYS 20 HA LYS 20 -4.016 13.116 -10.268 418 1HB LYS 20 2HB LYS 20 -1.628 12.341 -11.012 419 2HB LYS 20 1HB LYS 20 -1.399 14.035 -11.447 420 1HG LYS 20 2HG LYS 20 -0.734 14.206 -9.263 421 2HG LYS 20 1HG LYS 20 -2.470 14.342 -8.981 422 1HD LYS 20 2HD LYS 20 -2.656 12.162 -8.208 423 2HD LYS 20 1HD LYS 20 -1.248 11.610 -9.115 424 1HE LYS 20 2HE LYS 20 0.232 12.893 -7.582 425 2HE LYS 20 1HE LYS 20 -1.194 13.381 -6.644 426 1HZ LYS 20 1HZ LYS 20 -1.734 11.086 -6.261 427 2HZ LYS 20 2HZ LYS 20 -0.130 11.348 -5.769 428 3HZ LYS 20 3HZ LYS 20 -0.452 10.566 -7.243 429 H ALA 21 H ALA 21 -4.166 15.332 -9.502 430 HA ALA 21 HA ALA 21 -4.111 17.464 -11.588 431 1HB ALA 21 1HB ALA 21 -6.387 16.306 -11.327 432 2HB ALA 21 2HB ALA 21 -6.385 18.060 -11.145 433 3HB ALA 21 3HB ALA 21 -6.450 17.026 -9.718 434 HA PRO 22 HA PRO 22 -2.510 18.699 -7.391 435 1HB PRO 22 2HB PRO 22 -0.029 19.485 -8.236 436 2HB PRO 22 1HB PRO 22 -0.400 17.817 -7.754 437 1HG PRO 22 2HG PRO 22 -0.145 18.989 -10.474 438 2HG PRO 22 1HG PRO 22 0.343 17.395 -9.881 439 1HD PRO 22 2HD PRO 22 -1.924 17.859 -11.351 440 2HD PRO 22 1HD PRO 22 -1.723 16.493 -10.233 441 H THR 23 H THR 23 -0.968 20.986 -7.300 442 HA THR 23 HA THR 23 -2.783 22.997 -8.499 443 HB THR 23 HB THR 23 -1.486 24.497 -6.949 444 HG1 THR 23 HG1 THR 23 -0.026 23.462 -5.557 445 1HG2 THR 23 1HG2 THR 23 -3.485 22.804 -6.359 446 2HG2 THR 23 2HG2 THR 23 -2.733 23.833 -5.140 447 3HG2 THR 23 3HG2 THR 23 -2.245 22.145 -5.290 448 H ASN 24 H ASN 24 0.611 23.552 -7.875 449 HA ASN 24 HA ASN 24 1.130 23.842 -10.808 450 1HB ASN 24 2HB ASN 24 0.474 25.987 -9.584 451 2HB ASN 24 1HB ASN 24 1.980 25.823 -8.680 452 1HD2 ASN 24 1HD2 ASN 24 2.791 27.825 -9.722 453 2HD2 ASN 24 2HD2 ASN 24 3.337 27.791 -11.329 454 H GLU 25 H GLU 25 2.130 21.624 -9.907 455 HA GLU 25 HA GLU 25 4.770 22.064 -8.613 456 1HB GLU 25 2HB GLU 25 3.027 20.276 -7.993 457 2HB GLU 25 1HB GLU 25 3.489 19.468 -9.491 458 1HG GLU 25 2HG GLU 25 5.562 18.879 -8.700 459 2HG GLU 25 1HG GLU 25 5.703 20.322 -7.696 460 H PHE 26 H PHE 26 6.447 22.492 -10.001 461 HA PHE 26 HA PHE 26 6.688 20.847 -12.478 462 1HB PHE 26 2HB PHE 26 5.523 23.012 -12.963 463 2HB PHE 26 1HB PHE 26 6.937 23.870 -12.349 464 HD1 PHE 26 HD1 PHE 26 9.125 23.691 -13.518 465 HD2 PHE 26 HD2 PHE 26 5.542 21.947 -15.127 466 HE1 PHE 26 HE1 PHE 26 10.226 23.471 -15.731 467 HE2 PHE 26 HE2 PHE 26 6.644 21.728 -17.340 468 HZ PHE 26 HZ PHE 26 8.985 22.490 -17.642 469 H TYR 27 H TYR 27 8.264 23.424 -10.537 470 HA TYR 27 HA TYR 27 10.937 22.440 -11.307 471 1HB TYR 27 2HB TYR 27 10.434 24.840 -11.130 472 2HB TYR 27 1HB TYR 27 9.963 24.631 -9.443 473 HD1 TYR 27 HD1 TYR 27 11.583 24.655 -7.714 474 HD2 TYR 27 HD2 TYR 27 12.828 24.250 -11.807 475 HE1 TYR 27 HE1 TYR 27 13.951 24.917 -7.019 476 HE2 TYR 27 HE2 TYR 27 15.196 24.513 -11.113 477 HH TYR 27 HH TYR 27 16.139 24.495 -7.759 478 H ALA 28 HN ALA 28 10.133 20.269 -10.160 479 HA ALA 28 HA ALA 28 11.136 20.378 -7.339 480 1HB ALA 28 1HB ALA 28 9.354 18.610 -6.907 481 2HB ALA 28 2HB ALA 28 8.712 18.983 -8.507 482 3HB ALA 28 3HB ALA 28 8.733 20.224 -7.253 Start of MODEL 3 1 1H ARG 1 1HT ARG 1 23.862 -26.945 -13.615 2 2H ARG 1 2HT ARG 1 23.068 -27.725 -14.899 3 3H ARG 1 3HT ARG 1 22.221 -27.348 -13.474 4 HA ARG 1 HA ARG 1 23.459 -25.204 -15.093 5 1HB ARG 1 2HB ARG 1 20.976 -26.845 -15.546 6 2HB ARG 1 1HB ARG 1 21.019 -25.158 -16.060 7 1HG ARG 1 2HG ARG 1 22.772 -25.537 -17.584 8 2HG ARG 1 1HG ARG 1 23.243 -27.049 -16.805 9 1HD ARG 1 2HD ARG 1 21.638 -28.269 -17.909 10 2HD ARG 1 1HD ARG 1 20.465 -26.936 -17.877 11 HE ARG 1 HE ARG 1 22.604 -26.095 -19.517 12 1HH1 ARG 1 1HH1 ARG 1 22.643 -28.903 -20.462 13 2HH1 ARG 1 2HH1 ARG 1 21.450 -28.899 -21.718 14 1HH2 ARG 1 1HH2 ARG 1 19.993 -25.925 -20.690 15 2HH2 ARG 1 2HH2 ARG 1 19.949 -27.214 -21.846 16 H MET 2 H MET 2 20.399 -26.131 -13.461 17 HA MET 2 HA MET 2 19.083 -24.906 -11.922 18 1HB MET 2 2HB MET 2 21.961 -24.424 -11.126 19 2HB MET 2 1HB MET 2 20.615 -23.842 -10.144 20 1HG MET 2 2HG MET 2 19.720 -26.197 -10.109 21 2HG MET 2 1HG MET 2 21.209 -26.716 -10.902 22 1HE MET 2 1HE MET 2 23.117 -27.842 -9.057 23 2HE MET 2 2HE MET 2 23.981 -26.358 -8.665 24 3HE MET 2 3HE MET 2 23.281 -26.563 -10.269 25 H LYS 3 H LYS 3 18.764 -23.523 -14.092 26 HA LYS 3 HA LYS 3 19.570 -20.698 -13.471 27 1HB LYS 3 2HB LYS 3 20.597 -21.938 -15.487 28 2HB LYS 3 1HB LYS 3 18.989 -21.847 -16.208 29 1HG LYS 3 2HG LYS 3 19.425 -19.743 -16.870 30 2HG LYS 3 1HG LYS 3 19.591 -19.264 -15.180 31 1HD LYS 3 2HD LYS 3 21.899 -19.458 -15.206 32 2HD LYS 3 1HD LYS 3 21.888 -20.671 -16.487 33 1HE LYS 3 2HE LYS 3 22.717 -18.658 -17.505 34 2HE LYS 3 1HE LYS 3 21.025 -18.785 -18.029 35 1HZ LYS 3 1HZ LYS 3 22.080 -17.192 -15.756 36 2HZ LYS 3 2HZ LYS 3 20.425 -17.459 -16.035 37 3HZ LYS 3 3HZ LYS 3 21.353 -16.597 -17.168 38 H LYS 4 H LYS 4 17.185 -21.875 -12.435 39 HA LYS 4 HA LYS 4 15.010 -20.867 -14.212 40 1HB LYS 4 2HB LYS 4 15.162 -23.194 -13.032 41 2HB LYS 4 1HB LYS 4 14.693 -22.305 -11.582 42 1HG LYS 4 2HG LYS 4 12.724 -21.399 -12.855 43 2HG LYS 4 1HG LYS 4 13.155 -22.469 -14.189 44 1HD LYS 4 2HD LYS 4 12.567 -23.396 -11.362 45 2HD LYS 4 1HD LYS 4 11.416 -23.458 -12.698 46 1HE LYS 4 2HE LYS 4 13.171 -24.830 -13.970 47 2HE LYS 4 1HE LYS 4 14.013 -24.990 -12.414 48 1HZ LYS 4 1HZ LYS 4 12.541 -26.783 -12.437 49 2HZ LYS 4 2HZ LYS 4 11.282 -25.875 -13.128 50 3HZ LYS 4 3HZ LYS 4 11.728 -25.620 -11.508 51 H LYS 5 H LYS 5 13.375 -19.440 -13.262 52 HA LYS 5 HA LYS 5 14.305 -17.942 -10.836 53 1HB LYS 5 2HB LYS 5 13.497 -17.006 -13.586 54 2HB LYS 5 1HB LYS 5 13.336 -15.932 -12.196 55 1HG LYS 5 2HG LYS 5 15.606 -15.726 -11.914 56 2HG LYS 5 1HG LYS 5 15.930 -17.363 -12.486 57 1HD LYS 5 2HD LYS 5 16.774 -15.858 -14.162 58 2HD LYS 5 1HD LYS 5 15.295 -16.571 -14.807 59 1HE LYS 5 2HE LYS 5 14.035 -14.591 -14.407 60 2HE LYS 5 1HE LYS 5 15.278 -13.926 -13.329 61 1HZ LYS 5 1HZ LYS 5 15.351 -13.028 -15.641 62 2HZ LYS 5 2HZ LYS 5 15.756 -14.585 -16.185 63 3HZ LYS 5 3HZ LYS 5 16.797 -13.752 -15.132 64 H ASP 6 H ASP 6 12.483 -16.693 -9.822 65 HA ASP 6 HA ASP 6 10.019 -18.311 -9.795 66 1HB ASP 6 2HB ASP 6 11.402 -16.267 -8.154 67 2HB ASP 6 1HB ASP 6 9.640 -16.227 -8.070 68 H GLU 7 H GLU 7 8.299 -17.801 -11.092 69 HA GLU 7 HA GLU 7 7.641 -14.959 -11.608 70 1HB GLU 7 2HB GLU 7 7.666 -15.354 -14.056 71 2HB GLU 7 1HB GLU 7 9.261 -15.618 -13.353 72 1HG GLU 7 2HG GLU 7 9.200 -17.623 -14.405 73 2HG GLU 7 1HG GLU 7 8.092 -18.107 -13.119 74 H GLY 8 H GLY 8 5.421 -14.691 -11.974 75 1HA GLY 8 2HA GLY 8 3.794 -17.190 -12.211 76 2HA GLY 8 1HA GLY 8 3.334 -15.896 -11.103 77 H SER 9 H SER 9 1.362 -16.331 -12.733 78 HA SER 9 HA SER 9 1.210 -13.963 -14.416 79 1HB SER 9 2HB SER 9 2.116 -16.531 -15.485 80 2HB SER 9 1HB SER 9 0.709 -15.912 -16.343 81 HG SER 9 HG SER 9 2.949 -15.193 -16.981 82 H TYR 10 H TYR 10 -0.545 -14.298 -12.540 83 HA TYR 10 HA TYR 10 -2.880 -15.823 -13.635 84 1HB TYR 10 2HB TYR 10 -1.806 -15.121 -10.944 85 2HB TYR 10 1HB TYR 10 -3.561 -15.192 -11.100 86 HD1 TYR 10 HD1 TYR 10 -4.710 -17.278 -11.508 87 HD2 TYR 10 HD2 TYR 10 -0.417 -17.117 -11.423 88 HE1 TYR 10 HE1 TYR 10 -4.619 -19.756 -11.427 89 HE2 TYR 10 HE2 TYR 10 -0.325 -19.596 -11.343 90 HH TYR 10 HH TYR 10 -2.508 -21.485 -10.417 91 H ASP 11 H ASP 11 -2.558 -12.980 -11.494 92 HA ASP 11 HA ASP 11 -4.485 -11.531 -13.284 93 1HB ASP 11 2HB ASP 11 -4.197 -11.772 -10.287 94 2HB ASP 11 1HB ASP 11 -5.074 -10.421 -11.006 95 H LEU 12 H LEU 12 -2.429 -10.708 -14.333 96 HA LEU 12 HA LEU 12 -1.644 -8.160 -13.154 97 1HB LEU 12 2HB LEU 12 -0.315 -10.125 -12.067 98 2HB LEU 12 1HB LEU 12 0.547 -10.177 -13.605 99 HG LEU 12 HG LEU 12 1.687 -8.732 -11.921 100 1HD1 LEU 12 1HD1 LEU 12 2.341 -7.232 -13.528 101 2HD1 LEU 12 2HD1 LEU 12 0.683 -6.798 -13.946 102 3HD1 LEU 12 3HD1 LEU 12 1.388 -8.291 -14.566 103 1HD2 LEU 12 1HD2 LEU 12 0.667 -6.799 -11.036 104 2HD2 LEU 12 2HD2 LEU 12 -0.624 -7.999 -10.969 105 3HD2 LEU 12 3HD2 LEU 12 -0.602 -6.799 -12.261 106 H GLY 13 H GLY 13 -1.368 -6.801 -14.885 107 1HA GLY 13 2HA GLY 13 0.037 -7.723 -17.292 108 2HA GLY 13 1HA GLY 13 -1.667 -7.335 -17.541 109 H LYS 14 H LYS 14 -2.178 -5.114 -16.207 110 HA LYS 14 HA LYS 14 -0.175 -3.141 -17.249 111 1HB LYS 14 2HB LYS 14 -3.175 -3.169 -16.901 112 2HB LYS 14 1HB LYS 14 -2.301 -1.654 -17.131 113 1HG LYS 14 2HG LYS 14 -1.464 -2.354 -19.263 114 2HG LYS 14 1HG LYS 14 -2.003 -4.013 -19.003 115 1HD LYS 14 2HD LYS 14 -4.163 -3.539 -19.564 116 2HD LYS 14 1HD LYS 14 -4.118 -1.950 -18.800 117 1HE LYS 14 2HE LYS 14 -3.217 -0.916 -20.697 118 2HE LYS 14 1HE LYS 14 -2.534 -2.432 -21.318 119 1HZ LYS 14 1HZ LYS 14 -5.447 -2.001 -20.972 120 2HZ LYS 14 2HZ LYS 14 -4.673 -3.254 -21.819 121 3HZ LYS 14 3HZ LYS 14 -4.644 -1.668 -22.429 122 H LYS 15 H LYS 15 -0.045 -1.095 -15.936 123 HA LYS 15 HA LYS 15 -0.557 -1.587 -13.020 124 1HB LYS 15 2HB LYS 15 1.890 -1.168 -14.539 125 2HB LYS 15 1HB LYS 15 1.703 0.062 -13.288 126 1HG LYS 15 2HG LYS 15 1.512 -1.593 -11.564 127 2HG LYS 15 1HG LYS 15 1.359 -2.895 -12.744 128 1HD LYS 15 2HD LYS 15 3.786 -1.310 -13.138 129 2HD LYS 15 1HD LYS 15 3.726 -2.070 -11.547 130 1HE LYS 15 2HE LYS 15 3.645 -4.242 -12.443 131 2HE LYS 15 1HE LYS 15 3.055 -3.671 -14.017 132 1HZ LYS 15 1HZ LYS 15 5.716 -3.017 -12.865 133 2HZ LYS 15 2HZ LYS 15 5.141 -2.562 -14.398 134 3HZ LYS 15 3HZ LYS 15 5.446 -4.198 -14.053 135 HA PRO 16 HA PRO 16 -2.396 2.406 -13.038 136 1HB PRO 16 2HB PRO 16 -1.864 3.230 -10.486 137 2HB PRO 16 1HB PRO 16 -3.062 1.976 -10.864 138 1HG PRO 16 2HG PRO 16 -0.280 1.692 -9.855 139 2HG PRO 16 1HG PRO 16 -1.730 0.761 -9.449 140 1HD PRO 16 2HD PRO 16 0.218 -0.118 -11.158 141 2HD PRO 16 1HD PRO 16 -1.476 -0.650 -11.229 142 H ILE 17 H ILE 17 -1.833 4.726 -12.958 143 HA ILE 17 HA ILE 17 0.950 5.481 -12.473 144 HB ILE 17 HB ILE 17 1.062 6.342 -14.891 145 1HG1 ILE 17 2HG1 ILE 17 -1.098 4.257 -15.269 146 2HG1 ILE 17 1HG1 ILE 17 -1.419 5.992 -15.249 147 1HG2 ILE 17 1HG2 ILE 17 0.902 3.360 -14.902 148 2HG2 ILE 17 2HG2 ILE 17 2.032 4.122 -13.783 149 3HG2 ILE 17 3HG2 ILE 17 2.175 4.415 -15.516 150 1HD1 ILE 17 1HD1 ILE 17 0.502 6.076 -17.045 151 2HD1 ILE 17 2HD1 ILE 17 -1.129 5.610 -17.530 152 3HD1 ILE 17 3HD1 ILE 17 0.102 4.373 -17.268 153 H TYR 18 H TYR 18 -0.838 6.582 -10.969 154 HA TYR 18 HA TYR 18 -2.267 8.830 -12.180 155 1HB TYR 18 2HB TYR 18 -2.474 7.289 -9.910 156 2HB TYR 18 1HB TYR 18 -1.774 8.772 -9.264 157 HD1 TYR 18 HD1 TYR 18 -3.049 10.798 -9.124 158 HD2 TYR 18 HD2 TYR 18 -4.611 7.383 -11.203 159 HE1 TYR 18 HE1 TYR 18 -5.271 11.894 -9.256 160 HE2 TYR 18 HE2 TYR 18 -6.830 8.478 -11.345 161 HH TYR 18 HH TYR 18 -7.505 11.281 -11.247 162 H LYS 19 H LYS 19 -0.665 10.233 -13.101 163 HA LYS 19 HA LYS 19 0.659 12.033 -11.240 164 1HB LYS 19 2HB LYS 19 2.002 9.795 -11.381 165 2HB LYS 19 1HB LYS 19 2.510 10.392 -12.961 166 1HG LYS 19 2HG LYS 19 3.473 12.373 -11.991 167 2HG LYS 19 1HG LYS 19 2.773 12.007 -10.414 168 1HD LYS 19 2HD LYS 19 4.137 9.732 -10.768 169 2HD LYS 19 1HD LYS 19 5.135 10.788 -11.768 170 1HE LYS 19 2HE LYS 19 5.246 12.397 -9.813 171 2HE LYS 19 1HE LYS 19 4.468 11.141 -8.828 172 1HZ LYS 19 1HZ LYS 19 7.010 11.144 -8.932 173 2HZ LYS 19 2HZ LYS 19 6.823 10.537 -10.509 174 3HZ LYS 19 3HZ LYS 19 6.216 9.666 -9.182 175 H LYS 20 H LYS 20 -0.920 13.106 -12.933 176 HA LYS 20 HA LYS 20 -0.095 13.416 -15.670 177 1HB LYS 20 2HB LYS 20 -2.057 14.471 -13.778 178 2HB LYS 20 1HB LYS 20 -1.502 15.702 -14.911 179 1HG LYS 20 2HG LYS 20 -2.286 12.966 -15.893 180 2HG LYS 20 1HG LYS 20 -3.512 14.203 -15.610 181 1HD LYS 20 2HD LYS 20 -1.699 15.653 -17.011 182 2HD LYS 20 1HD LYS 20 -1.424 14.057 -17.712 183 1HE LYS 20 2HE LYS 20 -4.230 14.315 -17.533 184 2HE LYS 20 1HE LYS 20 -3.640 15.863 -18.170 185 1HZ LYS 20 1HZ LYS 20 -2.306 14.683 -19.779 186 2HZ LYS 20 2HZ LYS 20 -3.928 14.198 -19.934 187 3HZ LYS 20 3HZ LYS 20 -2.805 13.186 -19.157 188 H ALA 21 H ALA 21 0.122 16.085 -16.188 189 HA ALA 21 HA ALA 21 2.859 16.690 -15.439 190 1HB ALA 21 1HB ALA 21 1.022 18.748 -16.580 191 2HB ALA 21 2HB ALA 21 1.256 17.272 -17.518 192 3HB ALA 21 3HB ALA 21 2.642 18.281 -17.100 193 HA PRO 22 HA PRO 22 2.068 18.989 -11.769 194 1HB PRO 22 2HB PRO 22 4.292 20.583 -11.759 195 2HB PRO 22 1HB PRO 22 4.344 18.852 -11.366 196 1HG PRO 22 2HG PRO 22 5.075 20.241 -13.893 197 2HG PRO 22 1HG PRO 22 5.844 18.858 -13.101 198 1HD PRO 22 2HD PRO 22 4.181 18.638 -15.257 199 2HD PRO 22 1HD PRO 22 4.414 17.351 -14.053 200 H THR 23 H THR 23 0.719 20.732 -11.487 201 HA THR 23 HA THR 23 -0.347 22.804 -11.884 202 HB THR 23 HB THR 23 2.240 23.551 -13.256 203 HG1 THR 23 HG1 THR 23 3.261 23.326 -11.442 204 1HG2 THR 23 1HG2 THR 23 -0.006 25.004 -12.662 205 2HG2 THR 23 2HG2 THR 23 1.610 25.692 -12.840 206 3HG2 THR 23 3HG2 THR 23 0.990 25.295 -11.236 207 H ASN 24 H ASN 24 -1.826 21.866 -13.465 208 HA ASN 24 HA ASN 24 -1.284 21.438 -16.215 209 1HB ASN 24 2HB ASN 24 -3.289 20.697 -14.970 210 2HB ASN 24 1HB ASN 24 -3.817 22.374 -14.827 211 1HD2 ASN 24 1HD2 ASN 24 -5.222 23.054 -16.448 212 2HD2 ASN 24 2HD2 ASN 24 -5.354 22.344 -17.985 213 H GLU 25 H GLU 25 -1.756 24.409 -14.434 214 HA GLU 25 HA GLU 25 -2.182 25.985 -16.915 215 1HB GLU 25 2HB GLU 25 -3.403 26.270 -14.671 216 2HB GLU 25 1HB GLU 25 -1.895 26.955 -14.063 217 1HG GLU 25 2HG GLU 25 -1.940 28.682 -15.788 218 2HG GLU 25 1HG GLU 25 -3.387 27.968 -16.500 219 H PHE 26 H PHE 26 -0.396 26.706 -18.000 220 HA PHE 26 HA PHE 26 2.262 26.661 -16.768 221 1HB PHE 26 2HB PHE 26 1.282 26.291 -19.265 222 2HB PHE 26 1HB PHE 26 1.743 27.989 -19.381 223 HD1 PHE 26 HD1 PHE 26 3.087 24.727 -18.095 224 HD2 PHE 26 HD2 PHE 26 3.946 28.511 -19.942 225 HE1 PHE 26 HE1 PHE 26 5.466 24.067 -18.339 226 HE2 PHE 26 HE2 PHE 26 6.325 27.851 -20.187 227 HZ PHE 26 HZ PHE 26 7.086 25.630 -19.384 228 H TYR 27 H TYR 27 2.359 28.291 -15.170 229 HA TYR 27 HA TYR 27 1.454 31.033 -15.804 230 1HB TYR 27 2HB TYR 27 1.187 29.785 -13.590 231 2HB TYR 27 1HB TYR 27 2.926 29.991 -13.370 232 HD1 TYR 27 HD1 TYR 27 3.387 31.699 -11.856 233 HD2 TYR 27 HD2 TYR 27 0.189 32.205 -14.681 234 HE1 TYR 27 HE1 TYR 27 3.011 34.003 -11.016 235 HE2 TYR 27 HE2 TYR 27 -0.187 34.511 -13.843 236 HH TYR 27 HH TYR 27 0.700 35.627 -11.079 237 H ALA 28 HN ALA 28 2.859 32.181 -17.103 238 HA ALA 28 HA ALA 28 5.800 31.823 -16.703 239 1HB ALA 28 1HB ALA 28 3.953 32.586 -18.915 240 2HB ALA 28 2HB ALA 28 5.398 31.577 -18.960 241 3HB ALA 28 3HB ALA 28 5.550 33.333 -18.924 242 1H ARG 1 1HT ARG 1 -30.195 -24.887 -19.638 243 2H ARG 1 2HT ARG 1 -29.437 -25.943 -18.543 244 3H ARG 1 3HT ARG 1 -28.577 -25.339 -19.878 245 HA ARG 1 HA ARG 1 -29.694 -23.490 -17.856 246 1HB ARG 1 2HB ARG 1 -27.300 -25.314 -17.766 247 2HB ARG 1 1HB ARG 1 -27.251 -23.759 -16.933 248 1HG ARG 1 2HG ARG 1 -29.015 -24.338 -15.486 249 2HG ARG 1 1HG ARG 1 -29.573 -25.639 -16.538 250 1HD ARG 1 2HD ARG 1 -28.035 -27.138 -15.716 251 2HD ARG 1 1HD ARG 1 -26.788 -25.890 -15.507 252 HE ARG 1 HE ARG 1 -28.869 -25.268 -13.702 253 1HH1 ARG 1 1HH1 ARG 1 -29.061 -28.199 -13.319 254 2HH1 ARG 1 2HH1 ARG 1 -27.864 -28.505 -12.105 255 1HH2 ARG 1 1HH2 ARG 1 -26.251 -25.468 -12.555 256 2HH2 ARG 1 2HH2 ARG 1 -26.274 -26.959 -11.672 257 H MET 2 H MET 2 -26.695 -24.244 -19.680 258 HA MET 2 HA MET 2 -25.316 -22.816 -20.969 259 1HB MET 2 2HB MET 2 -28.166 -22.035 -21.618 260 2HB MET 2 1HB MET 2 -26.794 -21.345 -22.487 261 1HG MET 2 2HG MET 2 -26.030 -23.693 -22.992 262 2HG MET 2 1HG MET 2 -27.541 -24.276 -22.294 263 1HE MET 2 1HE MET 2 -29.514 -24.917 -24.293 264 2HE MET 2 2HE MET 2 -30.298 -23.341 -24.376 265 3HE MET 2 3HE MET 2 -29.604 -23.893 -22.854 266 H LYS 3 H LYS 3 -24.918 -21.900 -18.577 267 HA LYS 3 HA LYS 3 -25.566 -18.969 -18.628 268 1HB LYS 3 2HB LYS 3 -26.651 -20.519 -16.875 269 2HB LYS 3 1HB LYS 3 -25.038 -20.655 -16.174 270 1HG LYS 3 2HG LYS 3 -25.355 -18.701 -15.111 271 2HG LYS 3 1HG LYS 3 -25.502 -17.895 -16.674 272 1HD LYS 3 2HD LYS 3 -27.817 -17.969 -16.653 273 2HD LYS 3 1HD LYS 3 -27.866 -19.403 -15.629 274 1HE LYS 3 2HE LYS 3 -28.580 -17.584 -14.230 275 2HE LYS 3 1HE LYS 3 -26.897 -17.901 -13.766 276 1HZ LYS 3 1HZ LYS 3 -27.870 -15.843 -15.673 277 2HZ LYS 3 2HZ LYS 3 -26.232 -16.246 -15.475 278 3HZ LYS 3 3HZ LYS 3 -27.107 -15.573 -14.183 279 H LYS 4 H LYS 4 -23.253 -20.046 -19.908 280 HA LYS 4 HA LYS 4 -21.020 -19.522 -17.999 281 1HB LYS 4 2HB LYS 4 -21.301 -21.564 -19.606 282 2HB LYS 4 1HB LYS 4 -20.790 -20.437 -20.862 283 1HG LYS 4 2HG LYS 4 -18.769 -19.900 -19.467 284 2HG LYS 4 1HG LYS 4 -19.254 -21.184 -18.359 285 1HD LYS 4 2HD LYS 4 -18.726 -21.575 -21.319 286 2HD LYS 4 1HD LYS 4 -17.577 -21.955 -20.037 287 1HE LYS 4 2HE LYS 4 -19.400 -23.453 -19.031 288 2HE LYS 4 1HE LYS 4 -20.255 -23.263 -20.576 289 1HZ LYS 4 1HZ LYS 4 -18.884 -25.103 -20.921 290 2HZ LYS 4 2HZ LYS 4 -17.575 -24.414 -20.087 291 3HZ LYS 4 3HZ LYS 4 -18.013 -23.827 -21.619 292 H LYS 5 H LYS 5 -19.311 -18.026 -18.677 293 HA LYS 5 HA LYS 5 -20.166 -16.037 -20.753 294 1HB LYS 5 2HB LYS 5 -19.299 -15.696 -17.886 295 2HB LYS 5 1HB LYS 5 -19.084 -14.384 -19.045 296 1HG LYS 5 2HG LYS 5 -21.341 -14.007 -19.249 297 2HG LYS 5 1HG LYS 5 -21.751 -15.705 -19.000 298 1HD LYS 5 2HD LYS 5 -22.506 -14.511 -17.052 299 2HD LYS 5 1HD LYS 5 -21.066 -15.413 -16.578 300 1HE LYS 5 2HE LYS 5 -19.699 -13.463 -16.606 301 2HE LYS 5 1HE LYS 5 -20.908 -12.536 -17.517 302 1HZ LYS 5 1HZ LYS 5 -20.922 -12.100 -15.074 303 2HZ LYS 5 2HZ LYS 5 -21.409 -13.710 -14.836 304 3HZ LYS 5 3HZ LYS 5 -22.409 -12.635 -15.691 305 H ASP 6 H ASP 6 -18.282 -14.715 -21.534 306 HA ASP 6 HA ASP 6 -15.910 -16.422 -21.909 307 1HB ASP 6 2HB ASP 6 -17.186 -14.029 -23.100 308 2HB ASP 6 1HB ASP 6 -15.426 -14.066 -23.201 309 H GLU 7 H GLU 7 -14.163 -16.268 -20.560 310 HA GLU 7 HA GLU 7 -13.343 -13.619 -19.512 311 1HB GLU 7 2HB GLU 7 -13.382 -14.482 -17.188 312 2HB GLU 7 1HB GLU 7 -14.993 -14.518 -17.906 313 1HG GLU 7 2HG GLU 7 -15.037 -16.692 -17.266 314 2HG GLU 7 1HG GLU 7 -13.963 -16.972 -18.636 315 H GLY 8 H GLY 8 -11.111 -13.548 -19.136 316 1HA GLY 8 2HA GLY 8 -9.626 -16.130 -19.408 317 2HA GLY 8 1HA GLY 8 -9.099 -14.673 -20.252 318 H SER 9 H SER 9 -7.147 -15.519 -18.765 319 HA SER 9 HA SER 9 -6.859 -13.535 -16.657 320 1HB SER 9 2HB SER 9 -7.902 -16.210 -16.096 321 2HB SER 9 1HB SER 9 -6.459 -15.846 -15.153 322 HG SER 9 HG SER 9 -8.655 -15.148 -14.357 323 H TYR 10 H TYR 10 -5.132 -13.592 -18.589 324 HA TYR 10 HA TYR 10 -2.881 -15.423 -17.842 325 1HB TYR 10 2HB TYR 10 -3.925 -14.157 -20.330 326 2HB TYR 10 1HB TYR 10 -2.175 -14.350 -20.218 327 HD1 TYR 10 HD1 TYR 10 -1.141 -16.533 -20.236 328 HD2 TYR 10 HD2 TYR 10 -5.420 -16.132 -20.229 329 HE1 TYR 10 HE1 TYR 10 -1.369 -18.941 -20.795 330 HE2 TYR 10 HE2 TYR 10 -5.646 -18.539 -20.787 331 HH TYR 10 HH TYR 10 -3.576 -20.324 -22.091 332 H ASP 11 H ASP 11 -3.055 -12.203 -19.386 333 HA ASP 11 HA ASP 11 -1.042 -11.237 -17.379 334 1HB ASP 11 2HB ASP 11 -1.353 -10.878 -20.359 335 2HB ASP 11 1HB ASP 11 -0.402 -9.738 -19.407 336 H LEU 12 H LEU 12 -3.049 -10.525 -16.162 337 HA LEU 12 HA LEU 12 -3.695 -7.756 -16.813 338 1HB LEU 12 2HB LEU 12 -5.133 -9.399 -18.240 339 2HB LEU 12 1HB LEU 12 -5.990 -9.706 -16.731 340 HG LEU 12 HG LEU 12 -7.056 -7.901 -18.082 341 1HD1 LEU 12 1HD1 LEU 12 -7.617 -6.708 -16.203 342 2HD1 LEU 12 2HD1 LEU 12 -5.936 -6.457 -15.734 343 3HD1 LEU 12 3HD1 LEU 12 -6.722 -8.001 -15.406 344 1HD2 LEU 12 1HD2 LEU 12 -5.934 -5.890 -18.589 345 2HD2 LEU 12 2HD2 LEU 12 -4.712 -7.122 -18.908 346 3HD2 LEU 12 3HD2 LEU 12 -4.662 -6.196 -17.407 347 H GLY 13 H GLY 13 -3.887 -6.747 -14.848 348 1HA GLY 13 2HA GLY 13 -5.330 -8.045 -12.644 349 2HA GLY 13 1HA GLY 13 -3.608 -7.802 -12.351 350 H LYS 14 H LYS 14 -2.980 -5.396 -13.231 351 HA LYS 14 HA LYS 14 -4.868 -3.559 -11.800 352 1HB LYS 14 2HB LYS 14 -1.877 -3.682 -12.190 353 2HB LYS 14 1HB LYS 14 -2.663 -2.195 -11.659 354 1HG LYS 14 2HG LYS 14 -3.531 -3.250 -9.691 355 2HG LYS 14 1HG LYS 14 -3.086 -4.854 -10.277 356 1HD LYS 14 2HD LYS 14 -0.902 -4.617 -9.663 357 2HD LYS 14 1HD LYS 14 -0.860 -2.909 -10.105 358 1HE LYS 14 2HE LYS 14 -1.701 -2.214 -8.033 359 2HE LYS 14 1HE LYS 14 -2.462 -3.784 -7.707 360 1HZ LYS 14 1HZ LYS 14 0.469 -3.446 -8.001 361 2HZ LYS 14 2HZ LYS 14 -0.369 -4.799 -7.404 362 3HZ LYS 14 3HZ LYS 14 -0.311 -3.363 -6.498 363 H LYS 15 H LYS 15 -4.890 -1.293 -12.688 364 HA LYS 15 HA LYS 15 -4.417 -1.234 -15.651 365 1HB LYS 15 2HB LYS 15 -6.831 -0.986 -14.046 366 2HB LYS 15 1HB LYS 15 -6.580 0.450 -15.037 367 1HG LYS 15 2HG LYS 15 -6.488 -0.846 -17.052 368 2HG LYS 15 1HG LYS 15 -6.403 -2.359 -16.148 369 1HD LYS 15 2HD LYS 15 -8.737 -0.754 -15.419 370 2HD LYS 15 1HD LYS 15 -8.724 -1.191 -17.127 371 1HE LYS 15 2HE LYS 15 -8.758 -3.498 -16.672 372 2HE LYS 15 1HE LYS 15 -8.134 -3.276 -15.026 373 1HZ LYS 15 1HZ LYS 15 -10.759 -2.273 -15.993 374 2HZ LYS 15 2HZ LYS 15 -10.157 -2.154 -14.410 375 3HZ LYS 15 3HZ LYS 15 -10.550 -3.674 -15.061 376 HA PRO 16 HA PRO 16 -2.357 2.576 -14.885 377 1HB PRO 16 2HB PRO 16 -2.856 3.906 -17.221 378 2HB PRO 16 1HB PRO 16 -1.727 2.541 -17.111 379 1HG PRO 16 2HG PRO 16 -4.526 2.606 -18.114 380 2HG PRO 16 1HG PRO 16 -3.130 1.696 -18.715 381 1HD PRO 16 2HD PRO 16 -5.113 0.603 -17.181 382 2HD PRO 16 1HD PRO 16 -3.449 -0.018 -17.238 383 H ILE 17 H ILE 17 -2.795 4.898 -14.519 384 HA ILE 17 HA ILE 17 -5.534 5.878 -14.803 385 HB ILE 17 HB ILE 17 -5.598 6.249 -12.264 386 1HG1 ILE 17 2HG1 ILE 17 -3.547 4.026 -12.321 387 2HG1 ILE 17 1HG1 ILE 17 -3.138 5.715 -12.007 388 1HG2 ILE 17 1HG2 ILE 17 -5.589 3.317 -12.835 389 2HG2 ILE 17 2HG2 ILE 17 -6.682 4.338 -13.771 390 3HG2 ILE 17 3HG2 ILE 17 -6.805 4.293 -12.012 391 1HD1 ILE 17 1HD1 ILE 17 -5.046 5.543 -10.206 392 2HD1 ILE 17 2HD1 ILE 17 -3.443 4.906 -9.842 393 3HD1 ILE 17 3HD1 ILE 17 -4.738 3.810 -10.326 394 H TYR 18 H TYR 18 -3.698 7.155 -16.089 395 HA TYR 18 HA TYR 18 -2.140 9.041 -14.481 396 1HB TYR 18 2HB TYR 18 -2.024 7.963 -17.010 397 2HB TYR 18 1HB TYR 18 -2.642 9.581 -17.346 398 HD1 TYR 18 HD1 TYR 18 -1.257 11.520 -17.116 399 HD2 TYR 18 HD2 TYR 18 0.117 7.692 -15.737 400 HE1 TYR 18 HE1 TYR 18 1.022 12.450 -16.800 401 HE2 TYR 18 HE2 TYR 18 2.391 8.620 -15.414 402 HH TYR 18 HH TYR 18 3.223 11.346 -14.986 403 H LYS 19 H LYS 19 -3.658 10.327 -13.284 404 HA LYS 19 HA LYS 19 -4.889 12.517 -14.750 405 1HB LYS 19 2HB LYS 19 -6.351 10.370 -15.018 406 2HB LYS 19 1HB LYS 19 -6.817 10.676 -13.345 407 1HG LYS 19 2HG LYS 19 -7.677 12.854 -13.899 408 2HG LYS 19 1HG LYS 19 -7.004 12.765 -15.527 409 1HD LYS 19 2HD LYS 19 -8.489 10.539 -15.600 410 2HD LYS 19 1HD LYS 19 -9.424 11.433 -14.401 411 1HE LYS 19 2HE LYS 19 -9.453 13.394 -16.006 412 2HE LYS 19 1HE LYS 19 -8.748 12.314 -17.226 413 1HZ LYS 19 1HZ LYS 19 -11.286 12.433 -17.087 414 2HZ LYS 19 2HZ LYS 19 -11.128 11.520 -15.662 415 3HZ LYS 19 3HZ LYS 19 -10.574 10.893 -17.140 416 H LYS 20 H LYS 20 -3.237 13.143 -12.891 417 HA LYS 20 HA LYS 20 -4.043 12.973 -10.140 418 1HB LYS 20 2HB LYS 20 -2.030 14.269 -11.816 419 2HB LYS 20 1HB LYS 20 -2.514 15.283 -10.457 420 1HG LYS 20 2HG LYS 20 -1.880 12.368 -10.037 421 2HG LYS 20 1HG LYS 20 -0.588 13.568 -10.092 422 1HD LYS 20 2HD LYS 20 -2.314 14.814 -8.411 423 2HD LYS 20 1HD LYS 20 -2.674 13.130 -8.029 424 1HE LYS 20 2HE LYS 20 0.141 13.267 -8.194 425 2HE LYS 20 1HE LYS 20 -0.361 14.691 -7.260 426 1HZ LYS 20 1HZ LYS 20 -1.753 13.292 -5.893 427 2HZ LYS 20 2HZ LYS 20 -0.160 12.702 -5.858 428 3HZ LYS 20 3HZ LYS 20 -1.338 11.921 -6.801 429 H ALA 21 H ALA 21 -4.110 15.496 -9.111 430 HA ALA 21 HA ALA 21 -6.812 16.380 -9.690 431 1HB ALA 21 1HB ALA 21 -4.860 18.073 -8.196 432 2HB ALA 21 2HB ALA 21 -5.175 16.460 -7.559 433 3HB ALA 21 3HB ALA 21 -6.501 17.604 -7.755 434 HA PRO 22 HA PRO 22 -5.910 19.301 -12.854 435 1HB PRO 22 2HB PRO 22 -8.042 20.983 -12.521 436 2HB PRO 22 1HB PRO 22 -8.190 19.368 -13.242 437 1HG PRO 22 2HG PRO 22 -8.833 20.273 -10.483 438 2HG PRO 22 1HG PRO 22 -9.682 19.115 -11.518 439 1HD PRO 22 2HD PRO 22 -8.025 18.387 -9.471 440 2HD PRO 22 1HD PRO 22 -8.332 17.376 -10.900 441 H THR 23 H THR 23 -4.468 20.992 -12.812 442 HA THR 23 HA THR 23 -3.287 22.887 -12.037 443 HB THR 23 HB THR 23 -5.824 23.490 -10.508 444 HG1 THR 23 HG1 THR 23 -6.862 23.680 -12.317 445 1HG2 THR 23 1HG2 THR 23 -3.503 24.909 -10.840 446 2HG2 THR 23 2HG2 THR 23 -5.078 25.633 -10.512 447 3HG2 THR 23 3HG2 THR 23 -4.487 25.522 -12.170 448 H ASN 24 H ASN 24 -1.856 21.582 -10.689 449 HA ASN 24 HA ASN 24 -2.411 20.657 -8.067 450 1HB ASN 24 2HB ASN 24 -0.455 20.063 -9.461 451 2HB ASN 24 1HB ASN 24 0.166 21.705 -9.285 452 1HD2 ASN 24 1HD2 ASN 24 1.610 21.982 -7.581 453 2HD2 ASN 24 2HD2 ASN 24 1.708 20.982 -6.213 454 H GLU 25 H GLU 25 -1.785 23.887 -9.242 455 HA GLU 25 HA GLU 25 -1.259 24.924 -6.508 456 1HB GLU 25 2HB GLU 25 -0.032 25.575 -8.671 457 2HB GLU 25 1HB GLU 25 -1.501 26.443 -9.114 458 1HG GLU 25 2HG GLU 25 -1.356 27.800 -7.089 459 2HG GLU 25 1HG GLU 25 0.053 26.888 -6.549 460 H PHE 26 H PHE 26 -2.999 25.517 -5.279 461 HA PHE 26 HA PHE 26 -5.658 25.853 -6.461 462 1HB PHE 26 2HB PHE 26 -4.693 24.953 -4.099 463 2HB PHE 26 1HB PHE 26 -5.059 26.620 -3.648 464 HD1 PHE 26 HD1 PHE 26 -6.586 23.746 -5.524 465 HD2 PHE 26 HD2 PHE 26 -7.227 27.140 -2.965 466 HE1 PHE 26 HE1 PHE 26 -8.997 23.181 -5.377 467 HE2 PHE 26 HE2 PHE 26 -9.638 26.574 -2.818 468 HZ PHE 26 HZ PHE 26 -10.523 24.594 -4.024 469 H TYR 27 H TYR 27 -5.669 27.767 -7.713 470 HA TYR 27 HA TYR 27 -4.618 30.281 -6.571 471 1HB TYR 27 2HB TYR 27 -4.427 29.475 -8.988 472 2HB TYR 27 1HB TYR 27 -6.152 29.812 -9.140 473 HD1 TYR 27 HD1 TYR 27 -6.524 31.804 -10.287 474 HD2 TYR 27 HD2 TYR 27 -3.294 31.582 -7.461 475 HE1 TYR 27 HE1 TYR 27 -6.025 34.205 -10.668 476 HE2 TYR 27 HE2 TYR 27 -2.795 33.982 -7.842 477 HH TYR 27 HH TYR 27 -3.630 35.661 -10.325 478 H ALA 28 HN ALA 28 -5.952 31.232 -5.055 479 HA ALA 28 HA ALA 28 -8.909 31.112 -5.470 480 1HB ALA 28 1HB ALA 28 -7.014 31.331 -3.179 481 2HB ALA 28 2HB ALA 28 -8.512 30.410 -3.309 482 3HB ALA 28 3HB ALA 28 -8.568 32.146 -3.003 Start of MODEL 4 1 1H ARG 1 1HT ARG 1 -19.812 -21.919 -33.981 2 2H ARG 1 2HT ARG 1 -18.375 -22.563 -34.618 3 3H ARG 1 3HT ARG 1 -19.856 -22.836 -35.407 4 HA ARG 1 HA ARG 1 -18.930 -21.158 -36.696 5 1HB ARG 1 2HB ARG 1 -20.909 -20.431 -34.610 6 2HB ARG 1 1HB ARG 1 -20.190 -19.072 -35.474 7 1HG ARG 1 2HG ARG 1 -20.723 -20.347 -37.629 8 2HG ARG 1 1HG ARG 1 -21.720 -21.408 -36.633 9 1HD ARG 1 2HD ARG 1 -23.393 -19.883 -36.605 10 2HD ARG 1 1HD ARG 1 -22.286 -18.624 -36.023 11 HE ARG 1 HE ARG 1 -21.521 -18.506 -38.497 12 1HH1 ARG 1 1HH2 ARG 1 -24.170 -17.137 -37.788 13 2HH1 ARG 1 2HH2 ARG 1 -25.172 -17.667 -39.099 14 1HH2 ARG 1 1HH1 ARG 1 -23.019 -20.208 -40.062 15 2HH2 ARG 1 2HH1 ARG 1 -24.521 -19.408 -40.385 16 H MET 2 H MET 2 -16.720 -21.681 -35.154 17 HA MET 2 HA MET 2 -15.903 -19.037 -34.006 18 1HB MET 2 2HB MET 2 -14.229 -20.400 -32.798 19 2HB MET 2 1HB MET 2 -15.857 -21.019 -32.520 20 1HG MET 2 2HG MET 2 -15.540 -22.849 -33.976 21 2HG MET 2 1HG MET 2 -14.148 -22.098 -34.758 22 1HE MET 2 1HE MET 2 -13.075 -25.324 -33.270 23 2HE MET 2 2HE MET 2 -14.586 -24.765 -33.983 24 3HE MET 2 3HE MET 2 -14.536 -25.221 -32.282 25 H LYS 3 H LYS 3 -13.303 -18.909 -34.248 26 HA LYS 3 HA LYS 3 -12.692 -19.421 -37.143 27 1HB LYS 3 2HB LYS 3 -13.068 -17.055 -36.547 28 2HB LYS 3 1HB LYS 3 -11.840 -17.173 -35.288 29 1HG LYS 3 2HG LYS 3 -10.754 -16.197 -37.186 30 2HG LYS 3 1HG LYS 3 -10.208 -17.873 -37.114 31 1HD LYS 3 2HD LYS 3 -11.673 -18.535 -38.874 32 2HD LYS 3 1HD LYS 3 -12.579 -17.024 -38.785 33 1HE LYS 3 2HE LYS 3 -10.601 -15.772 -39.571 34 2HE LYS 3 1HE LYS 3 -9.677 -17.286 -39.655 35 1HZ LYS 3 1HZ LYS 3 -11.424 -18.175 -41.125 36 2HZ LYS 3 2HZ LYS 3 -10.627 -16.837 -41.803 37 3HZ LYS 3 3HZ LYS 3 -12.177 -16.655 -41.132 38 H LYS 4 H LYS 4 -11.241 -19.062 -33.892 39 HA LYS 4 HA LYS 4 -9.421 -21.296 -34.359 40 1HB LYS 4 2HB LYS 4 -8.688 -18.891 -35.461 41 2HB LYS 4 1HB LYS 4 -7.905 -18.805 -33.883 42 1HG LYS 4 2HG LYS 4 -6.559 -20.657 -34.296 43 2HG LYS 4 1HG LYS 4 -7.678 -21.335 -35.478 44 1HD LYS 4 2HD LYS 4 -7.120 -19.346 -36.967 45 2HD LYS 4 1HD LYS 4 -5.813 -18.979 -35.839 46 1HE LYS 4 2HE LYS 4 -6.031 -21.778 -36.912 47 2HE LYS 4 1HE LYS 4 -5.329 -20.514 -37.942 48 1HZ LYS 4 1HZ LYS 4 -4.525 -21.053 -35.132 49 2HZ LYS 4 2HZ LYS 4 -3.829 -19.908 -36.176 50 3HZ LYS 4 3HZ LYS 4 -3.658 -21.568 -36.496 51 H LYS 5 H LYS 5 -7.815 -21.412 -32.427 52 HA LYS 5 HA LYS 5 -9.301 -20.655 -29.960 53 1HB LYS 5 2HB LYS 5 -7.422 -22.761 -30.868 54 2HB LYS 5 1HB LYS 5 -7.228 -22.250 -29.191 55 1HG LYS 5 2HG LYS 5 -9.250 -23.105 -28.554 56 2HG LYS 5 1HG LYS 5 -10.021 -22.689 -30.086 57 1HD LYS 5 2HD LYS 5 -9.465 -24.680 -31.063 58 2HD LYS 5 1HD LYS 5 -7.917 -24.778 -30.221 59 1HE LYS 5 2HE LYS 5 -9.455 -26.538 -29.407 60 2HE LYS 5 1HE LYS 5 -9.138 -25.362 -28.115 61 1HZ LYS 5 1HZ LYS 5 -11.136 -24.183 -28.696 62 2HZ LYS 5 2HZ LYS 5 -11.530 -25.812 -28.414 63 3HZ LYS 5 3HZ LYS 5 -11.428 -25.223 -30.004 64 H ASP 6 H ASP 6 -8.620 -18.381 -29.968 65 HA ASP 6 HA ASP 6 -5.698 -17.914 -29.556 66 1HB ASP 6 2HB ASP 6 -7.171 -16.681 -31.268 67 2HB ASP 6 1HB ASP 6 -7.916 -15.882 -29.883 68 H GLU 7 H GLU 7 -5.430 -18.456 -27.345 69 HA GLU 7 HA GLU 7 -6.815 -16.633 -25.425 70 1HB GLU 7 2HB GLU 7 -7.405 -19.349 -25.841 71 2HB GLU 7 1HB GLU 7 -6.432 -19.316 -24.370 72 1HG GLU 7 2HG GLU 7 -8.567 -17.252 -24.627 73 2HG GLU 7 1HG GLU 7 -9.085 -18.912 -24.326 74 H GLY 8 H GLY 8 -5.435 -15.909 -23.807 75 1HA GLY 8 2HA GLY 8 -2.709 -17.146 -23.719 76 2HA GLY 8 1HA GLY 8 -2.985 -15.415 -23.516 77 H SER 9 H SER 9 -1.807 -15.804 -21.420 78 HA SER 9 HA SER 9 -3.745 -16.136 -19.246 79 1HB SER 9 2HB SER 9 -2.034 -17.991 -18.339 80 2HB SER 9 1HB SER 9 -3.396 -18.418 -19.370 81 HG SER 9 HG SER 9 -1.360 -19.260 -20.096 82 H TYR 10 H TYR 10 -2.757 -15.578 -17.147 83 HA TYR 10 HA TYR 10 -1.326 -14.268 -15.799 84 1HB TYR 10 2HB TYR 10 0.250 -15.988 -17.543 85 2HB TYR 10 1HB TYR 10 1.130 -14.517 -17.127 86 HD1 TYR 10 HD1 TYR 10 2.014 -14.184 -14.946 87 HD2 TYR 10 HD2 TYR 10 -0.754 -17.388 -15.679 88 HE1 TYR 10 HE1 TYR 10 2.465 -15.092 -12.681 89 HE2 TYR 10 HE2 TYR 10 -0.304 -18.296 -13.416 90 HH TYR 10 HH TYR 10 1.376 -18.216 -11.705 91 H ASP 11 H ASP 11 -2.537 -12.362 -16.774 92 HA ASP 11 HA ASP 11 -0.734 -10.752 -18.550 93 1HB ASP 11 2HB ASP 11 -3.618 -11.379 -18.537 94 2HB ASP 11 1HB ASP 11 -3.251 -9.675 -18.802 95 H LEU 12 H LEU 12 -0.387 -10.740 -15.745 96 HA LEU 12 HA LEU 12 -1.813 -8.438 -14.608 97 1HB LEU 12 2HB LEU 12 -0.331 -8.973 -12.666 98 2HB LEU 12 1HB LEU 12 -1.200 -10.391 -13.254 99 HG LEU 12 HG LEU 12 1.317 -10.031 -14.668 100 1HD1 LEU 12 1HD1 LEU 12 2.767 -9.654 -12.989 101 2HD1 LEU 12 2HD1 LEU 12 2.084 -10.990 -12.063 102 3HD1 LEU 12 3HD1 LEU 12 1.400 -9.372 -11.911 103 1HD2 LEU 12 1HD2 LEU 12 0.865 -12.335 -12.859 104 2HD2 LEU 12 2HD2 LEU 12 1.286 -12.315 -14.572 105 3HD2 LEU 12 3HD2 LEU 12 -0.387 -12.070 -14.073 106 H GLY 13 H GLY 13 0.256 -8.364 -16.996 107 1HA GLY 13 2HA GLY 13 2.474 -6.793 -16.030 108 2HA GLY 13 1HA GLY 13 1.962 -6.916 -17.715 109 H LYS 14 H LYS 14 -0.826 -6.109 -16.444 110 HA LYS 14 HA LYS 14 -0.659 -3.317 -17.191 111 1HB LYS 14 2HB LYS 14 -2.786 -4.848 -15.659 112 2HB LYS 14 1HB LYS 14 -3.021 -3.346 -16.553 113 1HG LYS 14 2HG LYS 14 -1.858 -4.991 -18.443 114 2HG LYS 14 1HG LYS 14 -2.889 -6.105 -17.544 115 1HD LYS 14 2HD LYS 14 -4.759 -4.400 -17.800 116 2HD LYS 14 1HD LYS 14 -3.713 -3.548 -18.937 117 1HE LYS 14 2HE LYS 14 -4.296 -4.984 -20.585 118 2HE LYS 14 1HE LYS 14 -3.773 -6.364 -19.598 119 1HZ LYS 14 1HZ LYS 14 -6.297 -4.945 -19.018 120 2HZ LYS 14 2HZ LYS 14 -5.830 -6.513 -18.559 121 3HZ LYS 14 3HZ LYS 14 -6.250 -6.186 -20.173 122 H LYS 15 H LYS 15 -0.564 -1.505 -15.813 123 HA LYS 15 HA LYS 15 -0.593 -1.941 -12.872 124 1HB LYS 15 2HB LYS 15 1.749 -1.485 -14.598 125 2HB LYS 15 1HB LYS 15 1.654 -0.380 -13.227 126 1HG LYS 15 2HG LYS 15 0.969 -2.950 -12.245 127 2HG LYS 15 1HG LYS 15 2.409 -3.157 -13.242 128 1HD LYS 15 2HD LYS 15 3.725 -2.020 -11.785 129 2HD LYS 15 1HD LYS 15 2.500 -0.780 -11.511 130 1HE LYS 15 2HE LYS 15 1.311 -2.887 -10.267 131 2HE LYS 15 1HE LYS 15 3.021 -3.274 -9.987 132 1HZ LYS 15 1HZ LYS 15 2.301 -1.782 -8.275 133 2HZ LYS 15 2HZ LYS 15 1.661 -0.695 -9.413 134 3HZ LYS 15 3HZ LYS 15 3.340 -0.931 -9.310 135 HA PRO 16 HA PRO 16 -2.396 2.061 -12.956 136 1HB PRO 16 2HB PRO 16 -1.710 2.973 -10.468 137 2HB PRO 16 1HB PRO 16 -2.946 1.727 -10.731 138 1HG PRO 16 2HG PRO 16 -0.116 1.433 -9.865 139 2HG PRO 16 1HG PRO 16 -1.556 0.544 -9.346 140 1HD PRO 16 2HD PRO 16 0.279 -0.436 -11.123 141 2HD PRO 16 1HD PRO 16 -1.426 -0.936 -11.083 142 H ILE 17 H ILE 17 -1.788 4.377 -12.978 143 HA ILE 17 HA ILE 17 1.029 5.108 -12.695 144 HB ILE 17 HB ILE 17 1.030 5.831 -15.161 145 1HG1 ILE 17 2HG1 ILE 17 -1.176 3.770 -15.338 146 2HG1 ILE 17 1HG1 ILE 17 -1.478 5.508 -15.355 147 1HG2 ILE 17 1HG2 ILE 17 0.818 2.845 -14.894 148 2HG2 ILE 17 2HG2 ILE 17 2.101 3.715 -14.053 149 3HG2 ILE 17 3HG2 ILE 17 1.987 3.796 -15.810 150 1HD1 ILE 17 1HD1 ILE 17 0.142 5.669 -17.296 151 2HD1 ILE 17 2HD1 ILE 17 -1.355 4.807 -17.649 152 3HD1 ILE 17 3HD1 ILE 17 0.131 3.906 -17.354 153 H TYR 18 H TYR 18 -0.536 6.403 -11.159 154 HA TYR 18 HA TYR 18 -2.193 8.475 -12.325 155 1HB TYR 18 2HB TYR 18 -1.696 7.324 -9.830 156 2HB TYR 18 1HB TYR 18 -1.111 8.979 -9.653 157 HD1 TYR 18 HD1 TYR 18 -2.620 10.802 -9.469 158 HD2 TYR 18 HD2 TYR 18 -4.051 6.946 -10.715 159 HE1 TYR 18 HE1 TYR 18 -4.959 11.607 -9.280 160 HE2 TYR 18 HE2 TYR 18 -6.388 7.753 -10.528 161 HH TYR 18 HH TYR 18 -7.214 10.637 -8.943 162 H LYS 19 H LYS 19 -1.166 10.655 -10.639 163 HA LYS 19 HA LYS 19 0.393 12.434 -10.736 164 1HB LYS 19 2HB LYS 19 1.810 10.084 -10.723 165 2HB LYS 19 1HB LYS 19 2.389 10.833 -12.212 166 1HG LYS 19 2HG LYS 19 2.945 12.888 -10.982 167 2HG LYS 19 1HG LYS 19 2.339 12.168 -9.490 168 1HD LYS 19 2HD LYS 19 4.332 11.191 -9.138 169 2HD LYS 19 1HD LYS 19 4.195 10.341 -10.677 170 1HE LYS 19 2HE LYS 19 4.876 12.813 -11.578 171 2HE LYS 19 1HE LYS 19 5.720 12.801 -10.016 172 1HZ LYS 19 1HZ LYS 19 7.044 11.769 -11.800 173 2HZ LYS 19 2HZ LYS 19 5.824 10.606 -12.019 174 3HZ LYS 19 3HZ LYS 19 6.682 10.676 -10.554 175 H LYS 20 H LYS 20 -0.272 13.954 -12.218 176 HA LYS 20 HA LYS 20 0.271 13.397 -15.116 177 1HB LYS 20 2HB LYS 20 -2.169 13.364 -14.141 178 2HB LYS 20 1HB LYS 20 -1.996 15.119 -14.136 179 1HG LYS 20 2HG LYS 20 -1.026 14.097 -16.639 180 2HG LYS 20 1HG LYS 20 -2.638 13.445 -16.341 181 1HD LYS 20 2HD LYS 20 -3.208 15.919 -15.663 182 2HD LYS 20 1HD LYS 20 -1.778 16.310 -16.620 183 1HE LYS 20 2HE LYS 20 -2.720 15.312 -18.597 184 2HE LYS 20 1HE LYS 20 -4.054 14.599 -17.670 185 1HZ LYS 20 1HZ LYS 20 -4.815 16.783 -17.072 186 2HZ LYS 20 2HZ LYS 20 -4.677 16.707 -18.764 187 3HZ LYS 20 3HZ LYS 20 -3.494 17.511 -17.848 188 H ALA 21 H ALA 21 -0.023 15.752 -16.271 189 HA ALA 21 HA ALA 21 1.482 17.755 -14.620 190 1HB ALA 21 1HB ALA 21 1.998 17.481 -17.550 191 2HB ALA 21 2HB ALA 21 2.631 16.216 -16.498 192 3HB ALA 21 3HB ALA 21 3.117 17.894 -16.251 193 HA PRO 22 HA PRO 22 -2.213 19.480 -16.963 194 1HB PRO 22 2HB PRO 22 -3.768 20.099 -14.800 195 2HB PRO 22 1HB PRO 22 -3.842 18.530 -15.623 196 1HG PRO 22 2HG PRO 22 -2.498 19.270 -13.080 197 2HG PRO 22 1HG PRO 22 -3.336 17.775 -13.523 198 1HD PRO 22 2HD PRO 22 -0.606 18.060 -13.482 199 2HD PRO 22 1HD PRO 22 -1.472 16.865 -14.470 200 H THR 23 H THR 23 -3.081 21.800 -16.609 201 HA THR 23 HA THR 23 -0.836 23.523 -15.777 202 HB THR 23 HB THR 23 -3.529 24.015 -17.079 203 HG1 THR 23 HG1 THR 23 -2.204 24.306 -18.911 204 1HG2 THR 23 1HG2 THR 23 -2.700 26.269 -17.557 205 2HG2 THR 23 2HG2 THR 23 -1.197 25.915 -16.704 206 3HG2 THR 23 3HG2 THR 23 -2.718 25.993 -15.815 207 H ASN 24 H ASN 24 -4.234 24.315 -15.383 208 HA ASN 24 HA ASN 24 -4.075 24.224 -12.434 209 1HB ASN 24 2HB ASN 24 -2.986 26.364 -13.409 210 2HB ASN 24 1HB ASN 24 -4.630 26.846 -13.828 211 1HD2 ASN 24 1HD2 ASN 24 -3.377 28.473 -11.997 212 2HD2 ASN 24 2HD2 ASN 24 -3.985 28.206 -10.434 213 H GLU 25 H GLU 25 -6.033 23.244 -12.024 214 HA GLU 25 HA GLU 25 -8.503 24.538 -13.008 215 1HB GLU 25 2HB GLU 25 -9.279 22.339 -13.962 216 2HB GLU 25 1HB GLU 25 -7.909 23.036 -14.827 217 1HG GLU 25 2HG GLU 25 -6.360 21.588 -13.601 218 2HG GLU 25 1HG GLU 25 -7.696 20.926 -12.659 219 H PHE 26 H PHE 26 -10.459 23.368 -12.023 220 HA PHE 26 HA PHE 26 -11.544 22.730 -10.017 221 1HB PHE 26 2HB PHE 26 -10.735 20.603 -11.004 222 2HB PHE 26 1HB PHE 26 -9.219 20.780 -10.118 223 HD1 PHE 26 HD1 PHE 26 -9.032 20.056 -7.876 224 HD2 PHE 26 HD2 PHE 26 -12.917 20.509 -9.657 225 HE1 PHE 26 HE1 PHE 26 -10.068 18.997 -5.886 226 HE2 PHE 26 HE2 PHE 26 -13.953 19.450 -7.668 227 HZ PHE 26 HZ PHE 26 -12.528 18.693 -5.782 228 H TYR 27 H TYR 27 -10.651 24.866 -9.089 229 HA TYR 27 HA TYR 27 -8.551 24.377 -7.011 230 1HB TYR 27 2HB TYR 27 -8.460 26.195 -8.877 231 2HB TYR 27 1HB TYR 27 -9.650 27.045 -7.892 232 HD1 TYR 27 HD1 TYR 27 -6.164 26.281 -8.331 233 HD2 TYR 27 HD2 TYR 27 -9.093 27.457 -5.415 234 HE1 TYR 27 HE1 TYR 27 -4.354 27.090 -6.839 235 HE2 TYR 27 HE2 TYR 27 -7.283 28.267 -3.924 236 HH TYR 27 HH TYR 27 -4.537 29.106 -4.655 237 H ALA 28 HN ALA 28 -9.204 24.361 -4.888 238 HA ALA 28 HA ALA 28 -12.022 24.707 -4.210 239 1HB ALA 28 1HB ALA 28 -10.995 23.061 -2.945 240 2HB ALA 28 2HB ALA 28 -10.791 24.427 -1.849 241 3HB ALA 28 3HB ALA 28 -9.457 23.925 -2.887 242 1H ARG 1 1HT ARG 1 13.080 -26.294 1.419 243 2H ARG 1 2HT ARG 1 11.589 -26.968 1.880 244 3H ARG 1 3HT ARG 1 13.025 -27.470 2.639 245 HA ARG 1 HA ARG 1 12.137 -26.024 4.206 246 1HB ARG 1 2HB ARG 1 14.224 -25.020 2.353 247 2HB ARG 1 1HB ARG 1 13.544 -23.816 3.448 248 1HG ARG 1 2HG ARG 1 13.939 -25.510 5.325 249 2HG ARG 1 1HG ARG 1 14.914 -26.415 4.164 250 1HD ARG 1 2HD ARG 1 16.663 -25.011 4.475 251 2HD ARG 1 1HD ARG 1 15.642 -23.602 4.124 252 HE ARG 1 HE ARG 1 14.798 -23.922 6.553 253 1HH1 ARG 1 1HH2 ARG 1 17.539 -22.594 6.189 254 2HH1 ARG 1 2HH2 ARG 1 18.464 -23.425 7.395 255 1HH2 ARG 1 1HH1 ARG 1 16.150 -25.978 7.792 256 2HH2 ARG 1 2HH1 ARG 1 17.677 -25.340 8.303 257 H MET 2 H MET 2 9.957 -26.110 2.540 258 HA MET 2 HA MET 2 9.325 -23.249 1.908 259 1HB MET 2 2HB MET 2 7.623 -24.254 0.418 260 2HB MET 2 1HB MET 2 9.226 -24.899 0.062 261 1HG MET 2 2HG MET 2 8.765 -26.955 1.124 262 2HG MET 2 1HG MET 2 7.389 -26.293 2.004 263 1HE MET 2 1HE MET 2 6.204 -29.103 -0.107 264 2HE MET 2 2HE MET 2 7.716 -28.777 0.736 265 3HE MET 2 3HE MET 2 7.703 -28.893 -1.022 266 H LYS 3 H LYS 3 6.726 -23.021 2.105 267 HA LYS 3 HA LYS 3 5.989 -24.048 4.829 268 1HB LYS 3 2HB LYS 3 6.506 -21.637 4.720 269 2HB LYS 3 1HB LYS 3 5.320 -21.438 3.429 270 1HG LYS 3 2HG LYS 3 4.215 -20.789 5.453 271 2HG LYS 3 1HG LYS 3 3.589 -22.386 5.040 272 1HD LYS 3 2HD LYS 3 4.954 -23.456 6.674 273 2HD LYS 3 1HD LYS 3 5.941 -22.013 6.902 274 1HE LYS 3 2HE LYS 3 4.006 -20.823 7.869 275 2HE LYS 3 1HE LYS 3 3.001 -22.267 7.634 276 1HZ LYS 3 1HZ LYS 3 4.649 -23.525 8.941 277 2HZ LYS 3 2HZ LYS 3 3.899 -22.300 9.850 278 3HZ LYS 3 3HZ LYS 3 5.480 -22.081 9.264 279 H LYS 4 H LYS 4 4.675 -22.983 1.676 280 HA LYS 4 HA LYS 4 2.729 -25.158 1.652 281 1HB LYS 4 2HB LYS 4 2.081 -22.976 3.186 282 2HB LYS 4 1HB LYS 4 1.360 -22.538 1.637 283 1HG LYS 4 2HG LYS 4 -0.094 -24.355 1.644 284 2HG LYS 4 1HG LYS 4 0.946 -25.313 2.699 285 1HD LYS 4 2HD LYS 4 0.440 -23.619 4.532 286 2HD LYS 4 1HD LYS 4 -0.806 -22.968 3.467 287 1HE LYS 4 2HE LYS 4 -0.772 -25.928 3.979 288 2HE LYS 4 1HE LYS 4 -1.442 -24.848 5.218 289 1HZ LYS 4 1HZ LYS 4 -2.175 -24.788 2.338 290 2HZ LYS 4 2HZ LYS 4 -2.846 -23.828 3.568 291 3HZ LYS 4 3HZ LYS 4 -3.114 -25.506 3.554 292 H LYS 5 H LYS 5 1.188 -24.808 -0.302 293 HA LYS 5 HA LYS 5 2.794 -23.671 -2.536 294 1HB LYS 5 2HB LYS 5 0.780 -25.803 -2.101 295 2HB LYS 5 1HB LYS 5 0.669 -24.967 -3.651 296 1HG LYS 5 2HG LYS 5 2.666 -25.795 -4.394 297 2HG LYS 5 1HG LYS 5 3.404 -25.730 -2.792 298 1HD LYS 5 2HD LYS 5 2.712 -27.838 -2.236 299 2HD LYS 5 1HD LYS 5 1.192 -27.680 -3.119 300 1HE LYS 5 2HE LYS 5 2.664 -29.335 -4.224 301 2HE LYS 5 1HE LYS 5 2.455 -27.914 -5.268 302 1HZ LYS 5 1HZ LYS 5 4.489 -26.989 -4.419 303 2HZ LYS 5 2HZ LYS 5 4.808 -28.552 -5.002 304 3HZ LYS 5 3HZ LYS 5 4.680 -28.276 -3.331 305 H ASP 6 H ASP 6 2.233 -21.408 -2.102 306 HA ASP 6 HA ASP 6 -0.644 -20.702 -2.486 307 1HB ASP 6 2HB ASP 6 0.829 -19.912 -0.531 308 2HB ASP 6 1HB ASP 6 1.664 -18.903 -1.714 309 H GLU 7 H GLU 7 -0.863 -20.791 -4.767 310 HA GLU 7 HA GLU 7 0.680 -18.713 -6.261 311 1HB GLU 7 2HB GLU 7 1.114 -21.489 -6.369 312 2HB GLU 7 1HB GLU 7 0.197 -21.113 -7.829 313 1HG GLU 7 2HG GLU 7 2.424 -19.265 -7.120 314 2HG GLU 7 1HG GLU 7 2.868 -20.861 -7.725 315 H GLY 8 H GLY 8 -0.602 -17.612 -7.737 316 1HA GLY 8 2HA GLY 8 -3.382 -18.649 -8.135 317 2HA GLY 8 1HA GLY 8 -3.010 -16.930 -7.989 318 H SER 9 H SER 9 -4.133 -16.842 -10.149 319 HA SER 9 HA SER 9 -2.138 -16.857 -12.298 320 1HB SER 9 2HB SER 9 -3.913 -18.395 -13.592 321 2HB SER 9 1HB SER 9 -2.611 -19.094 -12.632 322 HG SER 9 HG SER 9 -4.711 -19.943 -12.134 323 H TYR 10 H TYR 10 -3.020 -15.849 -14.271 324 HA TYR 10 HA TYR 10 -4.331 -14.220 -15.373 325 1HB TYR 10 2HB TYR 10 -6.058 -16.149 -14.038 326 2HB TYR 10 1HB TYR 10 -6.844 -14.576 -14.182 327 HD1 TYR 10 HD1 TYR 10 -7.633 -13.780 -16.276 328 HD2 TYR 10 HD2 TYR 10 -5.060 -17.218 -16.114 329 HE1 TYR 10 HE1 TYR 10 -8.051 -14.205 -18.684 330 HE2 TYR 10 HE2 TYR 10 -5.478 -17.645 -18.522 331 HH TYR 10 HH TYR 10 -7.087 -17.138 -20.225 332 H ASP 11 H ASP 11 -3.054 -12.617 -14.013 333 HA ASP 11 HA ASP 11 -4.830 -11.269 -12.007 334 1HB ASP 11 2HB ASP 11 -1.981 -12.044 -12.076 335 2HB ASP 11 1HB ASP 11 -2.274 -10.406 -11.492 336 H LEU 12 H LEU 12 -5.118 -10.687 -14.736 337 HA LEU 12 HA LEU 12 -3.516 -8.309 -15.381 338 1HB LEU 12 2HB LEU 12 -4.947 -8.373 -17.429 339 2HB LEU 12 1HB LEU 12 -4.175 -9.924 -17.102 340 HG LEU 12 HG LEU 12 -6.721 -9.702 -15.717 341 1HD1 LEU 12 1HD1 LEU 12 -8.082 -8.918 -17.329 342 2HD1 LEU 12 2HD1 LEU 12 -7.436 -10.088 -18.480 343 3HD1 LEU 12 3HD1 LEU 12 -6.660 -8.515 -18.292 344 1HD2 LEU 12 1HD2 LEU 12 -6.321 -11.632 -17.931 345 2HD2 LEU 12 2HD2 LEU 12 -6.803 -11.923 -16.260 346 3HD2 LEU 12 3HD2 LEU 12 -5.101 -11.680 -16.658 347 H GLY 13 H GLY 13 -5.650 -8.576 -13.081 348 1HA GLY 13 2HA GLY 13 -7.756 -6.728 -13.771 349 2HA GLY 13 1HA GLY 13 -7.304 -7.200 -12.131 350 H LYS 14 H LYS 14 -4.438 -6.327 -13.151 351 HA LYS 14 HA LYS 14 -4.481 -3.728 -11.887 352 1HB LYS 14 2HB LYS 14 -2.391 -5.042 -13.653 353 2HB LYS 14 1HB LYS 14 -2.109 -3.762 -12.472 354 1HG LYS 14 2HG LYS 14 -3.412 -5.687 -10.975 355 2HG LYS 14 1HG LYS 14 -2.400 -6.650 -12.053 356 1HD LYS 14 2HD LYS 14 -0.464 -5.138 -11.413 357 2HD LYS 14 1HD LYS 14 -1.509 -4.458 -10.164 358 1HE LYS 14 2HE LYS 14 -1.061 -6.211 -8.805 359 2HE LYS 14 1HE LYS 14 -1.619 -7.347 -10.050 360 1HZ LYS 14 1HZ LYS 14 0.998 -5.994 -10.276 361 2HZ LYS 14 2HZ LYS 14 0.466 -7.413 -11.044 362 3HZ LYS 14 3HZ LYS 14 0.840 -7.429 -9.388 363 H LYS 15 H LYS 15 -4.382 -1.673 -12.894 364 HA LYS 15 HA LYS 15 -4.323 -1.528 -15.857 365 1HB LYS 15 2HB LYS 15 -6.692 -1.302 -14.122 366 2HB LYS 15 1HB LYS 15 -6.506 0.047 -15.243 367 1HG LYS 15 2HG LYS 15 -5.912 -2.317 -16.699 368 2HG LYS 15 1HG LYS 15 -7.398 -2.629 -15.801 369 1HD LYS 15 2HD LYS 15 -8.595 -1.149 -17.037 370 2HD LYS 15 1HD LYS 15 -7.294 0.042 -17.034 371 1HE LYS 15 2HE LYS 15 -6.180 -1.850 -18.636 372 2HE LYS 15 1HE LYS 15 -7.897 -2.077 -19.023 373 1HZ LYS 15 1HZ LYS 15 -7.041 -0.329 -20.400 374 2HZ LYS 15 2HZ LYS 15 -6.387 0.483 -19.058 375 3HZ LYS 15 3HZ LYS 15 -8.072 0.366 -19.247 376 HA PRO 16 HA PRO 16 -2.328 2.274 -14.946 377 1HB PRO 16 2HB PRO 16 -2.878 3.687 -17.224 378 2HB PRO 16 1HB PRO 16 -1.713 2.349 -17.174 379 1HG PRO 16 2HG PRO 16 -4.517 2.380 -18.162 380 2HG PRO 16 1HG PRO 16 -3.103 1.528 -18.800 381 1HD PRO 16 2HD PRO 16 -5.053 0.332 -17.299 382 2HD PRO 16 1HD PRO 16 -3.375 -0.248 -17.389 383 H ILE 17 H ILE 17 -2.813 4.566 -14.474 384 HA ILE 17 HA ILE 17 -5.575 5.503 -14.680 385 HB ILE 17 HB ILE 17 -5.616 5.728 -12.119 386 1HG1 ILE 17 2HG1 ILE 17 -3.540 3.537 -12.310 387 2HG1 ILE 17 1HG1 ILE 17 -3.131 5.217 -11.951 388 1HG2 ILE 17 1HG2 ILE 17 -5.554 2.848 -12.973 389 2HG2 ILE 17 2HG2 ILE 17 -6.758 3.940 -13.659 390 3HG2 ILE 17 3HG2 ILE 17 -6.705 3.666 -11.917 391 1HD1 ILE 17 1HD1 ILE 17 -4.807 5.102 -10.048 392 2HD1 ILE 17 2HD1 ILE 17 -3.369 4.105 -9.837 393 3HD1 ILE 17 3HD1 ILE 17 -4.890 3.364 -10.330 394 H TYR 18 H TYR 18 -3.876 6.969 -15.899 395 HA TYR 18 HA TYR 18 -2.171 8.697 -14.318 396 1HB TYR 18 2HB TYR 18 -2.639 8.066 -17.001 397 2HB TYR 18 1HB TYR 18 -3.132 9.754 -16.872 398 HD1 TYR 18 HD1 TYR 18 -1.524 11.495 -16.639 399 HD2 TYR 18 HD2 TYR 18 -0.333 7.391 -16.185 400 HE1 TYR 18 HE1 TYR 18 0.858 12.187 -16.617 401 HE2 TYR 18 HE2 TYR 18 2.047 8.083 -16.163 402 HH TYR 18 HH TYR 18 3.073 11.172 -17.109 403 H LYS 19 H LYS 19 -3.022 11.208 -15.567 404 HA LYS 19 HA LYS 19 -4.495 13.018 -15.171 405 1HB LYS 19 2HB LYS 19 -6.026 10.798 -15.680 406 2HB LYS 19 1HB LYS 19 -6.621 11.273 -14.090 407 1HG LYS 19 2HG LYS 19 -7.026 13.558 -14.907 408 2HG LYS 19 1HG LYS 19 -6.407 13.107 -16.496 409 1HD LYS 19 2HD LYS 19 -8.435 12.331 -17.079 410 2HD LYS 19 1HD LYS 19 -8.395 11.193 -15.732 411 1HE LYS 19 2HE LYS 19 -8.978 13.478 -14.382 412 2HE LYS 19 1HE LYS 19 -9.768 13.818 -15.936 413 1HZ LYS 19 1HZ LYS 19 -11.203 12.536 -14.421 414 2HZ LYS 19 2HZ LYS 19 -10.053 11.285 -14.405 415 3HZ LYS 19 3HZ LYS 19 -10.855 11.687 -15.848 416 H LYS 20 H LYS 20 -3.796 14.177 -13.406 417 HA LYS 20 HA LYS 20 -4.477 13.103 -10.687 418 1HB LYS 20 2HB LYS 20 -2.007 13.119 -11.588 419 2HB LYS 20 1HB LYS 20 -2.090 14.848 -11.253 420 1HG LYS 20 2HG LYS 20 -3.199 13.418 -9.022 421 2HG LYS 20 1HG LYS 20 -1.613 12.745 -9.403 422 1HD LYS 20 2HD LYS 20 -0.892 15.267 -9.570 423 2HD LYS 20 1HD LYS 20 -2.333 15.545 -8.591 424 1HE LYS 20 2HE LYS 20 -1.514 14.131 -6.822 425 2HE LYS 20 1HE LYS 20 -0.186 13.535 -7.838 426 1HZ LYS 20 1HZ LYS 20 0.707 15.746 -7.979 427 2HZ LYS 20 2HZ LYS 20 0.505 15.352 -6.339 428 3HZ LYS 20 3HZ LYS 20 -0.601 16.385 -7.109 429 H ALA 21 H ALA 21 -4.102 15.167 -9.085 430 HA ALA 21 HA ALA 21 -5.441 17.538 -10.348 431 1HB ALA 21 1HB ALA 21 -6.071 16.731 -7.542 432 2HB ALA 21 2HB ALA 21 -6.732 15.732 -8.837 433 3HB ALA 21 3HB ALA 21 -7.122 17.451 -8.762 434 HA PRO 22 HA PRO 22 -1.747 18.558 -7.625 435 1HB PRO 22 2HB PRO 22 -0.087 19.495 -9.587 436 2HB PRO 22 1HB PRO 22 -0.123 17.793 -9.085 437 1HG PRO 22 2HG PRO 22 -1.338 19.090 -11.467 438 2HG PRO 22 1HG PRO 22 -0.594 17.492 -11.304 439 1HD PRO 22 2HD PRO 22 -3.303 17.937 -11.354 440 2HD PRO 22 1HD PRO 22 -2.534 16.525 -10.599 441 H THR 23 H THR 23 -0.751 20.851 -7.495 442 HA THR 23 HA THR 23 -2.873 22.829 -8.032 443 HB THR 23 HB THR 23 -0.206 22.900 -6.594 444 HG1 THR 23 HG1 THR 23 -1.578 22.906 -4.773 445 1HG2 THR 23 1HG2 THR 23 -0.930 25.063 -5.705 446 2HG2 THR 23 2HG2 THR 23 -2.419 24.970 -6.646 447 3HG2 THR 23 3HG2 THR 23 -0.866 25.129 -7.467 448 H ASN 24 H ASN 24 0.574 23.487 -8.180 449 HA ASN 24 HA ASN 24 0.513 23.976 -11.095 450 1HB ASN 24 2HB ASN 24 -0.496 25.947 -9.750 451 2HB ASN 24 1HB ASN 24 1.155 26.242 -9.203 452 1HD2 ASN 24 1HD2 ASN 24 0.055 28.262 -10.716 453 2HD2 ASN 24 2HD2 ASN 24 0.704 28.266 -12.285 454 H GLU 25 H GLU 25 2.431 22.979 -11.640 455 HA GLU 25 HA GLU 25 4.930 23.915 -10.363 456 1HB GLU 25 2HB GLU 25 5.557 21.531 -9.838 457 2HB GLU 25 1HB GLU 25 4.195 22.126 -8.888 458 1HG GLU 25 2HG GLU 25 2.617 21.034 -10.410 459 2HG GLU 25 1HG GLU 25 3.949 20.491 -11.430 460 H PHE 26 H PHE 26 6.856 22.848 -11.508 461 HA PHE 26 HA PHE 26 7.981 22.549 -13.571 462 1HB PHE 26 2HB PHE 26 7.029 20.320 -13.040 463 2HB PHE 26 1HB PHE 26 5.557 20.753 -13.911 464 HD1 PHE 26 HD1 PHE 26 5.411 20.488 -16.255 465 HD2 PHE 26 HD2 PHE 26 9.249 20.363 -14.325 466 HE1 PHE 26 HE1 PHE 26 6.461 19.775 -18.387 467 HE2 PHE 26 HE2 PHE 26 10.298 19.650 -16.457 468 HZ PHE 26 HZ PHE 26 8.904 19.355 -18.488 469 H TYR 27 H TYR 27 7.230 24.872 -14.084 470 HA TYR 27 HA TYR 27 5.186 24.916 -16.272 471 1HB TYR 27 2HB TYR 27 5.122 26.343 -14.090 472 2HB TYR 27 1HB TYR 27 6.388 27.296 -14.864 473 HD1 TYR 27 HD1 TYR 27 2.854 26.662 -14.666 474 HD2 TYR 27 HD2 TYR 27 5.940 28.212 -17.224 475 HE1 TYR 27 HE1 TYR 27 1.141 27.846 -16.014 476 HE2 TYR 27 HE2 TYR 27 4.226 29.396 -18.573 477 HH TYR 27 HH TYR 27 1.505 30.234 -17.760 478 H ALA 28 HN ALA 28 5.911 25.272 -18.338 479 HA ALA 28 HA ALA 28 8.766 25.582 -18.868 480 1HB ALA 28 1HB ALA 28 7.697 24.273 -20.453 481 2HB ALA 28 2HB ALA 28 7.605 25.834 -21.267 482 3HB ALA 28 3HB ALA 28 6.211 25.220 -20.380 Start of MODEL 5 1 1H ARG 1 1HT ARG 1 4.875 -13.228 -32.646 2 2H ARG 1 2HT ARG 1 3.777 -14.025 -31.623 3 3H ARG 1 3HT ARG 1 4.298 -14.769 -33.058 4 HA ARG 1 HA ARG 1 5.553 -15.834 -31.411 5 1HB ARG 1 2HB ARG 1 6.642 -14.558 -33.459 6 2HB ARG 1 1HB ARG 1 7.373 -13.576 -32.188 7 1HG ARG 1 2HG ARG 1 7.868 -16.005 -31.157 8 2HG ARG 1 1HG ARG 1 7.827 -16.442 -32.866 9 1HD ARG 1 2HD ARG 1 9.500 -14.662 -33.348 10 2HD ARG 1 1HD ARG 1 9.579 -14.295 -31.613 11 HE ARG 1 HE ARG 1 10.366 -16.635 -31.256 12 1HH1 ARG 1 1HH2 ARG 1 9.456 -17.426 -34.121 13 2HH1 ARG 1 2HH2 ARG 1 10.998 -17.639 -34.880 14 1HH2 ARG 1 1HH1 ARG 1 12.754 -16.011 -32.371 15 2HH2 ARG 1 2HH1 ARG 1 12.865 -16.838 -33.889 16 H MET 2 H MET 2 6.047 -15.845 -29.238 17 HA MET 2 HA MET 2 5.922 -13.239 -27.778 18 1HB MET 2 2HB MET 2 4.938 -15.937 -27.397 19 2HB MET 2 1HB MET 2 5.908 -15.441 -26.009 20 1HG MET 2 2HG MET 2 4.577 -13.378 -25.805 21 2HG MET 2 1HG MET 2 3.614 -13.856 -27.202 22 1HE MET 2 1HE MET 2 2.979 -14.828 -22.915 23 2HE MET 2 2HE MET 2 3.425 -13.357 -23.777 24 3HE MET 2 3HE MET 2 4.627 -14.619 -23.522 25 H LYS 3 H LYS 3 8.321 -13.282 -28.870 26 HA LYS 3 HA LYS 3 10.647 -13.380 -28.449 27 1HB LYS 3 2HB LYS 3 9.283 -12.460 -26.259 28 2HB LYS 3 1HB LYS 3 10.181 -13.808 -25.560 29 1HG LYS 3 2HG LYS 3 12.225 -12.818 -26.819 30 2HG LYS 3 1HG LYS 3 11.252 -11.352 -26.942 31 1HD LYS 3 2HD LYS 3 11.437 -10.889 -24.718 32 2HD LYS 3 1HD LYS 3 11.321 -12.587 -24.255 33 1HE LYS 3 2HE LYS 3 13.766 -12.362 -25.650 34 2HE LYS 3 1HE LYS 3 13.699 -10.966 -24.556 35 1HZ LYS 3 1HZ LYS 3 14.533 -13.085 -23.525 36 2HZ LYS 3 2HZ LYS 3 12.967 -13.716 -23.717 37 3HZ LYS 3 3HZ LYS 3 13.226 -12.360 -22.725 38 H LYS 4 H LYS 4 12.225 -14.797 -26.775 39 HA LYS 4 HA LYS 4 11.588 -17.619 -27.482 40 1HB LYS 4 2HB LYS 4 14.031 -15.991 -26.831 41 2HB LYS 4 1HB LYS 4 14.097 -17.747 -26.674 42 1HG LYS 4 2HG LYS 4 12.993 -16.501 -29.180 43 2HG LYS 4 1HG LYS 4 14.737 -16.661 -28.966 44 1HD LYS 4 2HD LYS 4 14.547 -19.057 -28.685 45 2HD LYS 4 1HD LYS 4 12.785 -18.962 -28.672 46 1HE LYS 4 2HE LYS 4 13.122 -17.820 -31.033 47 2HE LYS 4 1HE LYS 4 14.674 -18.679 -30.991 48 1HZ LYS 4 1HZ LYS 4 12.848 -20.048 -31.905 49 2HZ LYS 4 2HZ LYS 4 12.042 -19.932 -30.414 50 3HZ LYS 4 3HZ LYS 4 13.542 -20.723 -30.513 51 H LYS 5 H LYS 5 11.127 -19.118 -25.897 52 HA LYS 5 HA LYS 5 10.609 -19.944 -23.741 53 1HB LYS 5 2HB LYS 5 13.289 -18.822 -23.855 54 2HB LYS 5 1HB LYS 5 12.636 -18.727 -22.219 55 1HG LYS 5 2HG LYS 5 12.028 -21.144 -22.362 56 2HG LYS 5 1HG LYS 5 12.805 -21.215 -23.945 57 1HD LYS 5 2HD LYS 5 14.625 -19.973 -22.126 58 2HD LYS 5 1HD LYS 5 14.026 -21.452 -21.373 59 1HE LYS 5 2HE LYS 5 15.034 -22.808 -22.934 60 2HE LYS 5 1HE LYS 5 14.768 -21.652 -24.254 61 1HZ LYS 5 1HZ LYS 5 16.690 -21.273 -22.019 62 2HZ LYS 5 2HZ LYS 5 16.451 -20.215 -23.327 63 3HZ LYS 5 3HZ LYS 5 17.116 -21.756 -23.588 64 H ASP 6 H ASP 6 8.662 -18.461 -23.746 65 HA ASP 6 HA ASP 6 8.788 -16.638 -21.410 66 1HB ASP 6 2HB ASP 6 9.296 -15.536 -23.759 67 2HB ASP 6 1HB ASP 6 7.545 -15.635 -23.955 68 H GLU 7 H GLU 7 7.464 -18.767 -20.919 69 HA GLU 7 HA GLU 7 4.653 -18.522 -21.906 70 1HB GLU 7 2HB GLU 7 6.433 -20.647 -21.607 71 2HB GLU 7 1HB GLU 7 5.343 -20.817 -20.229 72 1HG GLU 7 2HG GLU 7 4.069 -21.928 -21.783 73 2HG GLU 7 1HG GLU 7 3.526 -20.289 -22.144 74 H GLY 8 H GLY 8 3.473 -17.216 -20.539 75 1HA GLY 8 2HA GLY 8 3.662 -17.790 -17.615 76 2HA GLY 8 1HA GLY 8 3.655 -16.122 -18.188 77 H SER 9 H SER 9 1.681 -18.451 -16.945 78 HA SER 9 HA SER 9 -0.699 -18.145 -18.568 79 1HB SER 9 2HB SER 9 0.063 -19.232 -15.881 80 2HB SER 9 1HB SER 9 -1.647 -18.998 -16.235 81 HG SER 9 HG SER 9 0.187 -20.405 -17.887 82 H TYR 10 H TYR 10 0.341 -16.704 -15.455 83 HA TYR 10 HA TYR 10 -1.926 -15.095 -14.948 84 1HB TYR 10 2HB TYR 10 1.034 -14.643 -14.442 85 2HB TYR 10 1HB TYR 10 -0.255 -13.724 -13.663 86 HD1 TYR 10 HD1 TYR 10 1.731 -16.705 -13.545 87 HD2 TYR 10 HD2 TYR 10 -2.063 -15.058 -12.379 88 HE1 TYR 10 HE1 TYR 10 1.474 -18.497 -11.847 89 HE2 TYR 10 HE2 TYR 10 -2.320 -16.849 -10.682 90 HH TYR 10 HH TYR 10 -0.138 -19.571 -10.538 91 H ASP 11 H ASP 11 -1.827 -12.577 -15.110 92 HA ASP 11 HA ASP 11 -0.472 -11.585 -17.555 93 1HB ASP 11 2HB ASP 11 -2.992 -12.696 -17.686 94 2HB ASP 11 1HB ASP 11 -3.355 -10.982 -17.477 95 H LEU 12 H LEU 12 0.157 -10.713 -15.047 96 HA LEU 12 HA LEU 12 -1.475 -8.353 -14.376 97 1HB LEU 12 2HB LEU 12 -0.381 -10.065 -12.775 98 2HB LEU 12 1HB LEU 12 1.133 -9.233 -13.136 99 HG LEU 12 HG LEU 12 -0.243 -7.070 -12.560 100 1HD1 LEU 12 1HD1 LEU 12 -2.427 -7.807 -12.231 101 2HD1 LEU 12 2HD1 LEU 12 -1.819 -7.825 -10.577 102 3HD1 LEU 12 3HD1 LEU 12 -1.913 -9.326 -11.498 103 1HD2 LEU 12 1HD2 LEU 12 0.696 -7.125 -10.407 104 2HD2 LEU 12 2HD2 LEU 12 1.676 -8.305 -11.277 105 3HD2 LEU 12 3HD2 LEU 12 0.381 -8.848 -10.211 106 H GLY 13 H GLY 13 -0.024 -8.398 -16.954 107 1HA GLY 13 2HA GLY 13 2.381 -6.816 -16.731 108 2HA GLY 13 1HA GLY 13 1.447 -7.060 -18.208 109 H LYS 14 H LYS 14 -0.954 -6.062 -16.466 110 HA LYS 14 HA LYS 14 -0.789 -3.291 -17.369 111 1HB LYS 14 2HB LYS 14 -2.750 -5.177 -16.788 112 2HB LYS 14 1HB LYS 14 -2.913 -4.005 -15.478 113 1HG LYS 14 2HG LYS 14 -4.154 -2.821 -16.967 114 2HG LYS 14 1HG LYS 14 -2.596 -2.361 -17.653 115 1HD LYS 14 2HD LYS 14 -2.755 -4.488 -19.069 116 2HD LYS 14 1HD LYS 14 -4.442 -4.578 -18.559 117 1HE LYS 14 2HE LYS 14 -3.534 -1.932 -19.584 118 2HE LYS 14 1HE LYS 14 -3.686 -3.235 -20.780 119 1HZ LYS 14 1HZ LYS 14 -5.831 -2.332 -20.593 120 2HZ LYS 14 2HZ LYS 14 -5.743 -2.230 -18.899 121 3HZ LYS 14 3HZ LYS 14 -5.879 -3.745 -19.657 122 H LYS 15 H LYS 15 -0.925 -1.426 -15.922 123 HA LYS 15 HA LYS 15 -0.478 -1.800 -13.043 124 1HB LYS 15 2HB LYS 15 1.673 -1.361 -15.021 125 2HB LYS 15 1HB LYS 15 1.733 -0.287 -13.622 126 1HG LYS 15 2HG LYS 15 2.401 -1.956 -12.261 127 2HG LYS 15 1HG LYS 15 1.123 -3.024 -12.844 128 1HD LYS 15 2HD LYS 15 2.443 -3.756 -14.694 129 2HD LYS 15 1HD LYS 15 3.628 -2.473 -14.446 130 1HE LYS 15 2HE LYS 15 4.809 -3.998 -13.236 131 2HE LYS 15 1HE LYS 15 3.558 -3.818 -11.989 132 1HZ LYS 15 1HZ LYS 15 3.619 -6.104 -12.595 133 2HZ LYS 15 2HZ LYS 15 3.580 -5.740 -14.253 134 3HZ LYS 15 3HZ LYS 15 2.215 -5.451 -13.285 135 HA PRO 16 HA PRO 16 -2.323 2.182 -13.065 136 1HB PRO 16 2HB PRO 16 -1.546 3.071 -10.599 137 2HB PRO 16 1HB PRO 16 -2.784 1.821 -10.829 138 1HG PRO 16 2HG PRO 16 0.076 1.533 -10.072 139 2HG PRO 16 1HG PRO 16 -1.338 0.628 -9.512 140 1HD PRO 16 2HD PRO 16 0.442 -0.309 -11.370 141 2HD PRO 16 1HD PRO 16 -1.253 -0.834 -11.264 142 H ILE 17 H ILE 17 -1.753 4.500 -13.047 143 HA ILE 17 HA ILE 17 1.066 5.268 -12.892 144 HB ILE 17 HB ILE 17 0.883 6.118 -15.313 145 1HG1 ILE 17 2HG1 ILE 17 -1.289 4.018 -15.444 146 2HG1 ILE 17 1HG1 ILE 17 -1.628 5.747 -15.352 147 1HG2 ILE 17 1HG2 ILE 17 0.741 3.121 -15.188 148 2HG2 ILE 17 2HG2 ILE 17 2.058 3.970 -14.377 149 3HG2 ILE 17 3HG2 ILE 17 1.838 4.142 -16.118 150 1HD1 ILE 17 1HD1 ILE 17 -0.465 4.161 -17.593 151 2HD1 ILE 17 2HD1 ILE 17 0.134 5.805 -17.366 152 3HD1 ILE 17 3HD1 ILE 17 -1.585 5.523 -17.643 153 H TYR 18 H TYR 18 -0.731 6.276 -11.225 154 HA TYR 18 HA TYR 18 -2.153 8.604 -12.309 155 1HB TYR 18 2HB TYR 18 -2.577 6.948 -10.255 156 2HB TYR 18 1HB TYR 18 -1.609 8.145 -9.397 157 HD1 TYR 18 HD1 TYR 18 -2.379 10.489 -9.199 158 HD2 TYR 18 HD2 TYR 18 -4.793 7.471 -11.074 159 HE1 TYR 18 HE1 TYR 18 -4.363 11.967 -9.030 160 HE2 TYR 18 HE2 TYR 18 -6.772 8.952 -10.918 161 HH TYR 18 HH TYR 18 -7.009 11.494 -8.943 162 H LYS 19 H LYS 19 -0.832 10.330 -12.932 163 HA LYS 19 HA LYS 19 0.635 11.829 -10.978 164 1HB LYS 19 2HB LYS 19 1.920 9.512 -11.967 165 2HB LYS 19 1HB LYS 19 2.726 10.883 -12.732 166 1HG LYS 19 2HG LYS 19 2.853 11.939 -10.416 167 2HG LYS 19 1HG LYS 19 2.350 10.375 -9.773 168 1HD LYS 19 2HD LYS 19 4.333 9.524 -11.359 169 2HD LYS 19 1HD LYS 19 4.926 11.157 -11.059 170 1HE LYS 19 2HE LYS 19 3.996 10.093 -8.566 171 2HE LYS 19 1HE LYS 19 5.086 8.906 -9.310 172 1HZ LYS 19 1HZ LYS 19 5.723 11.794 -9.301 173 2HZ LYS 19 2HZ LYS 19 6.772 10.479 -9.541 174 3HZ LYS 19 3HZ LYS 19 6.149 10.802 -7.993 175 H LYS 20 H LYS 20 -1.156 12.714 -12.847 176 HA LYS 20 HA LYS 20 -0.036 13.526 -15.370 177 1HB LYS 20 2HB LYS 20 -2.447 13.387 -14.824 178 2HB LYS 20 1HB LYS 20 -2.259 14.710 -13.673 179 1HG LYS 20 2HG LYS 20 -1.507 16.189 -15.512 180 2HG LYS 20 1HG LYS 20 -1.748 14.868 -16.657 181 1HD LYS 20 2HD LYS 20 -4.152 14.760 -15.916 182 2HD LYS 20 1HD LYS 20 -3.867 16.218 -14.963 183 1HE LYS 20 2HE LYS 20 -2.842 16.882 -17.468 184 2HE LYS 20 1HE LYS 20 -4.315 15.964 -17.840 185 1HZ LYS 20 1HZ LYS 20 -4.065 18.275 -15.991 186 2HZ LYS 20 2HZ LYS 20 -5.450 17.296 -16.096 187 3HZ LYS 20 3HZ LYS 20 -4.951 18.215 -17.436 188 H ALA 21 H ALA 21 0.653 15.708 -15.967 189 HA ALA 21 HA ALA 21 2.452 16.929 -14.064 190 1HB ALA 21 1HB ALA 21 1.338 17.891 -16.721 191 2HB ALA 21 2HB ALA 21 2.766 16.876 -16.519 192 3HB ALA 21 3HB ALA 21 2.771 18.535 -15.921 193 HA PRO 22 HA PRO 22 -0.245 19.799 -12.124 194 1HB PRO 22 2HB PRO 22 1.503 21.835 -11.591 195 2HB PRO 22 1HB PRO 22 1.513 20.297 -10.705 196 1HG PRO 22 2HG PRO 22 3.291 21.229 -12.898 197 2HG PRO 22 1HG PRO 22 3.676 20.266 -11.464 198 1HD PRO 22 2HD PRO 22 3.358 19.211 -13.968 199 2HD PRO 22 1HD PRO 22 3.084 18.301 -12.466 200 H THR 23 H THR 23 -1.711 20.621 -13.637 201 HA THR 23 HA THR 23 -0.813 23.027 -15.184 202 HB THR 23 HB THR 23 -2.566 22.020 -16.886 203 HG1 THR 23 HG1 THR 23 -2.703 19.808 -16.745 204 1HG2 THR 23 1HG2 THR 23 0.241 21.893 -16.593 205 2HG2 THR 23 2HG2 THR 23 -0.688 21.699 -18.079 206 3HG2 THR 23 3HG2 THR 23 -0.272 20.287 -17.108 207 H ASN 24 H ASN 24 -1.848 24.398 -13.599 208 HA ASN 24 HA ASN 24 -4.663 23.990 -12.892 209 1HB ASN 24 2HB ASN 24 -2.873 24.984 -11.426 210 2HB ASN 24 1HB ASN 24 -2.838 26.382 -12.502 211 1HD2 ASN 24 1HD2 ASN 24 -3.838 25.955 -9.574 212 2HD2 ASN 24 2HD2 ASN 24 -5.382 26.659 -9.587 213 H GLU 25 H GLU 25 -2.820 26.027 -15.136 214 HA GLU 25 HA GLU 25 -5.405 27.173 -16.136 215 1HB GLU 25 2HB GLU 25 -3.805 28.795 -15.244 216 2HB GLU 25 1HB GLU 25 -2.531 28.143 -16.275 217 1HG GLU 25 2HG GLU 25 -3.536 28.966 -18.245 218 2HG GLU 25 1HG GLU 25 -5.100 29.185 -17.460 219 H PHE 26 H PHE 26 -5.457 27.514 -18.537 220 HA PHE 26 HA PHE 26 -4.418 25.135 -19.939 221 1HB PHE 26 2HB PHE 26 -6.447 27.282 -20.328 222 2HB PHE 26 1HB PHE 26 -5.783 26.552 -21.790 223 HD1 PHE 26 HD1 PHE 26 -7.868 26.030 -18.832 224 HD2 PHE 26 HD2 PHE 26 -6.001 24.111 -22.194 225 HE1 PHE 26 HE1 PHE 26 -9.316 24.042 -18.502 226 HE2 PHE 26 HE2 PHE 26 -7.448 22.123 -21.864 227 HZ PHE 26 HZ PHE 26 -9.107 22.089 -20.019 228 H TYR 27 H TYR 27 -3.742 25.774 -22.379 229 HA TYR 27 HA TYR 27 -1.656 27.921 -22.165 230 1HB TYR 27 2HB TYR 27 -1.681 25.152 -23.369 231 2HB TYR 27 1HB TYR 27 -0.483 26.349 -23.863 232 HD1 TYR 27 HD1 TYR 27 0.823 27.552 -21.944 233 HD2 TYR 27 HD2 TYR 27 -1.302 23.849 -21.456 234 HE1 TYR 27 HE1 TYR 27 2.161 27.052 -19.916 235 HE2 TYR 27 HE2 TYR 27 0.035 23.347 -19.428 236 HH TYR 27 HH TYR 27 1.340 24.919 -17.655 237 H ALA 28 HN ALA 28 -2.682 29.593 -23.302 238 HA ALA 28 HA ALA 28 -3.078 29.163 -26.200 239 1HB ALA 28 1HB ALA 28 -5.327 30.275 -24.511 240 2HB ALA 28 2HB ALA 28 -5.193 28.551 -24.853 241 3HB ALA 28 3HB ALA 28 -5.398 29.698 -26.176 242 1H ARG 1 1HT ARG 1 -10.424 -16.161 1.402 243 2H ARG 1 2HT ARG 1 -9.376 -16.797 0.226 244 3H ARG 1 3HT ARG 1 -9.929 -17.781 1.495 245 HA ARG 1 HA ARG 1 -11.248 -18.435 -0.309 246 1HB ARG 1 2HB ARG 1 -12.258 -17.528 1.964 247 2HB ARG 1 1HB ARG 1 -12.938 -16.280 0.920 248 1HG ARG 1 2HG ARG 1 -13.571 -18.433 -0.557 249 2HG ARG 1 1HG ARG 1 -13.549 -19.194 1.035 250 1HD ARG 1 2HD ARG 1 -15.118 -17.454 1.875 251 2HD ARG 1 1HD ARG 1 -15.181 -16.753 0.246 252 HE ARG 1 HE ARG 1 -16.100 -18.931 -0.548 253 1HH1 ARG 1 1HH2 ARG 1 -15.226 -20.314 2.093 254 2HH1 ARG 1 2HH2 ARG 1 -16.774 -20.587 2.820 255 1HH2 ARG 1 1HH1 ARG 1 -18.448 -18.412 0.701 256 2HH2 ARG 1 2HH1 ARG 1 -18.598 -19.510 2.032 257 H MET 2 H MET 2 -11.748 -17.995 -2.434 258 HA MET 2 HA MET 2 -11.484 -15.166 -3.361 259 1HB MET 2 2HB MET 2 -10.653 -17.788 -4.271 260 2HB MET 2 1HB MET 2 -11.597 -16.980 -5.523 261 1HG MET 2 2HG MET 2 -10.156 -14.991 -5.342 262 2HG MET 2 1HG MET 2 -9.216 -15.782 -4.077 263 1HE MET 2 1HE MET 2 -8.649 -15.931 -8.477 264 2HE MET 2 2HE MET 2 -9.008 -14.635 -7.339 265 3HE MET 2 3HE MET 2 -10.281 -15.756 -7.819 266 H LYS 3 H LYS 3 -13.879 -15.291 -2.264 267 HA LYS 3 HA LYS 3 -16.208 -15.183 -2.663 268 1HB LYS 3 2HB LYS 3 -14.802 -13.926 -4.649 269 2HB LYS 3 1HB LYS 3 -15.774 -15.061 -5.588 270 1HG LYS 3 2HG LYS 3 -17.757 -14.230 -4.131 271 2HG LYS 3 1HG LYS 3 -16.704 -12.869 -3.740 272 1HD LYS 3 2HD LYS 3 -16.869 -11.974 -5.829 273 2HD LYS 3 1HD LYS 3 -16.850 -13.554 -6.614 274 1HE LYS 3 2HE LYS 3 -19.274 -13.473 -5.169 275 2HE LYS 3 1HE LYS 3 -19.134 -11.896 -5.971 276 1HZ LYS 3 1HZ LYS 3 -20.087 -13.723 -7.383 277 2HZ LYS 3 2HZ LYS 3 -18.559 -14.465 -7.339 278 3HZ LYS 3 3HZ LYS 3 -18.743 -12.930 -8.046 279 H LYS 4 H LYS 4 -17.866 -16.160 -4.561 280 HA LYS 4 HA LYS 4 -17.385 -19.096 -4.425 281 1HB LYS 4 2HB LYS 4 -19.734 -17.242 -4.711 282 2HB LYS 4 1HB LYS 4 -19.900 -18.927 -5.207 283 1HG LYS 4 2HG LYS 4 -18.721 -18.255 -2.521 284 2HG LYS 4 1HG LYS 4 -20.471 -18.279 -2.739 285 1HD LYS 4 2HD LYS 4 -20.413 -20.580 -3.484 286 2HD LYS 4 1HD LYS 4 -18.650 -20.577 -3.501 287 1HE LYS 4 2HE LYS 4 -18.917 -19.903 -0.958 288 2HE LYS 4 1HE LYS 4 -20.515 -20.653 -1.147 289 1HZ LYS 4 1HZ LYS 4 -18.764 -22.269 -0.542 290 2HZ LYS 4 2HZ LYS 4 -17.957 -21.908 -1.992 291 3HZ LYS 4 3HZ LYS 4 -19.498 -22.621 -2.030 292 H LYS 5 H LYS 5 -17.010 -20.277 -6.278 293 HA LYS 5 HA LYS 5 -16.548 -20.696 -8.560 294 1HB LYS 5 2HB LYS 5 -19.161 -19.474 -8.196 295 2HB LYS 5 1HB LYS 5 -18.507 -19.099 -9.791 296 1HG LYS 5 2HG LYS 5 -18.035 -21.526 -10.128 297 2HG LYS 5 1HG LYS 5 -18.810 -21.861 -8.579 298 1HD LYS 5 2HD LYS 5 -20.565 -20.194 -10.099 299 2HD LYS 5 1HD LYS 5 -20.050 -21.530 -11.131 300 1HE LYS 5 2HE LYS 5 -21.126 -23.105 -9.849 301 2HE LYS 5 1HE LYS 5 -20.792 -22.243 -8.334 302 1HZ LYS 5 1HZ LYS 5 -22.698 -21.335 -10.425 303 2HZ LYS 5 2HZ LYS 5 -22.396 -20.566 -8.940 304 3HZ LYS 5 3HZ LYS 5 -23.144 -22.092 -8.974 305 H ASP 6 H ASP 6 -14.520 -19.348 -8.291 306 HA ASP 6 HA ASP 6 -14.551 -17.102 -10.227 307 1HB ASP 6 2HB ASP 6 -14.989 -16.452 -7.702 308 2HB ASP 6 1HB ASP 6 -13.246 -16.681 -7.555 309 H GLU 7 H GLU 7 -13.349 -19.161 -11.141 310 HA GLU 7 HA GLU 7 -10.525 -19.263 -10.165 311 1HB GLU 7 2HB GLU 7 -12.422 -21.191 -10.847 312 2HB GLU 7 1HB GLU 7 -11.346 -21.147 -12.245 313 1HG GLU 7 2HG GLU 7 -10.131 -22.608 -10.955 314 2HG GLU 7 1HG GLU 7 -9.498 -21.102 -10.289 315 H GLY 8 H GLY 8 -9.280 -17.783 -11.269 316 1HA GLY 8 2HA GLY 8 -9.511 -17.763 -14.245 317 2HA GLY 8 1HA GLY 8 -9.410 -16.241 -13.358 318 H SER 9 H SER 9 -7.572 -18.387 -15.055 319 HA SER 9 HA SER 9 -5.173 -18.528 -13.438 320 1HB SER 9 2HB SER 9 -6.002 -19.030 -16.273 321 2HB SER 9 1HB SER 9 -4.281 -18.963 -15.905 322 HG SER 9 HG SER 9 -6.187 -20.562 -14.532 323 H TYR 10 H TYR 10 -6.143 -16.452 -16.196 324 HA TYR 10 HA TYR 10 -3.791 -14.902 -16.413 325 1HB TYR 10 2HB TYR 10 -6.721 -14.199 -16.782 326 2HB TYR 10 1HB TYR 10 -5.385 -13.218 -17.385 327 HD1 TYR 10 HD1 TYR 10 -7.533 -16.010 -18.053 328 HD2 TYR 10 HD2 TYR 10 -3.659 -14.370 -18.928 329 HE1 TYR 10 HE1 TYR 10 -7.379 -17.450 -20.067 330 HE2 TYR 10 HE2 TYR 10 -3.504 -15.811 -20.943 331 HH TYR 10 HH TYR 10 -5.837 -18.331 -21.582 332 H ASP 11 H ASP 11 -3.752 -12.458 -15.764 333 HA ASP 11 HA ASP 11 -5.040 -11.894 -13.153 334 1HB ASP 11 2HB ASP 11 -2.587 -13.144 -13.276 335 2HB ASP 11 1HB ASP 11 -2.128 -11.445 -13.151 336 H LEU 12 H LEU 12 -5.626 -10.517 -15.434 337 HA LEU 12 HA LEU 12 -3.868 -8.163 -15.656 338 1HB LEU 12 2HB LEU 12 -5.060 -9.472 -17.542 339 2HB LEU 12 1HB LEU 12 -6.525 -8.646 -17.005 340 HG LEU 12 HG LEU 12 -5.033 -6.488 -17.172 341 1HD1 LEU 12 1HD1 LEU 12 -2.895 -7.263 -17.667 342 2HD1 LEU 12 2HD1 LEU 12 -3.511 -6.925 -19.285 343 3HD1 LEU 12 3HD1 LEU 12 -3.495 -8.580 -18.676 344 1HD2 LEU 12 1HD2 LEU 12 -5.982 -6.075 -19.280 345 2HD2 LEU 12 2HD2 LEU 12 -7.022 -7.346 -18.640 346 3HD2 LEU 12 3HD2 LEU 12 -5.764 -7.742 -19.811 347 H GLY 13 H GLY 13 -5.315 -8.634 -13.116 348 1HA GLY 13 2HA GLY 13 -7.628 -6.911 -12.995 349 2HA GLY 13 1HA GLY 13 -6.706 -7.489 -11.606 350 H LYS 14 H LYS 14 -4.257 -6.299 -13.152 351 HA LYS 14 HA LYS 14 -4.267 -3.752 -11.726 352 1HB LYS 14 2HB LYS 14 -2.417 -5.594 -12.681 353 2HB LYS 14 1HB LYS 14 -2.190 -4.206 -13.745 354 1HG LYS 14 2HG LYS 14 -0.879 -3.398 -12.075 355 2HG LYS 14 1HG LYS 14 -2.407 -2.995 -11.289 356 1HD LYS 14 2HD LYS 14 -2.363 -5.364 -10.315 357 2HD LYS 14 1HD LYS 14 -0.685 -5.442 -10.856 358 1HE LYS 14 2HE LYS 14 -1.443 -3.002 -9.326 359 2HE LYS 14 1HE LYS 14 -1.357 -4.518 -8.406 360 1HZ LYS 14 1HZ LYS 14 0.832 -3.713 -8.446 361 2HZ LYS 14 2HZ LYS 14 0.743 -3.276 -10.086 362 3HZ LYS 14 3HZ LYS 14 0.799 -4.916 -9.641 363 H LYS 15 H LYS 15 -4.038 -1.653 -12.786 364 HA LYS 15 HA LYS 15 -4.507 -1.438 -15.680 365 1HB LYS 15 2HB LYS 15 -6.625 -1.274 -13.624 366 2HB LYS 15 1HB LYS 15 -6.628 0.053 -14.786 367 1HG LYS 15 2HG LYS 15 -7.399 -1.279 -16.434 368 2HG LYS 15 1HG LYS 15 -6.180 -2.508 -16.094 369 1HD LYS 15 2HD LYS 15 -7.528 -3.515 -14.398 370 2HD LYS 15 1HD LYS 15 -8.642 -2.147 -14.375 371 1HE LYS 15 2HE LYS 15 -9.909 -3.344 -15.839 372 2HE LYS 15 1HE LYS 15 -8.657 -2.990 -17.046 373 1HZ LYS 15 1HZ LYS 15 -8.837 -5.344 -16.898 374 2HZ LYS 15 2HZ LYS 15 -8.773 -5.313 -15.200 375 3HZ LYS 15 3HZ LYS 15 -7.398 -4.912 -16.114 376 HA PRO 16 HA PRO 16 -2.445 2.361 -14.907 377 1HB PRO 16 2HB PRO 16 -3.182 3.757 -17.139 378 2HB PRO 16 1HB PRO 16 -2.013 2.422 -17.175 379 1HG PRO 16 2HG PRO 16 -4.886 2.441 -17.937 380 2HG PRO 16 1HG PRO 16 -3.525 1.589 -18.681 381 1HD PRO 16 2HD PRO 16 -5.349 0.401 -17.019 382 2HD PRO 16 1HD PRO 16 -3.686 -0.182 -17.248 383 H ILE 17 H ILE 17 -2.887 4.669 -14.473 384 HA ILE 17 HA ILE 17 -5.659 5.600 -14.433 385 HB ILE 17 HB ILE 17 -5.431 5.950 -11.898 386 1HG1 ILE 17 2HG1 ILE 17 -3.371 3.757 -12.198 387 2HG1 ILE 17 1HG1 ILE 17 -2.942 5.452 -11.956 388 1HG2 ILE 17 1HG2 ILE 17 -5.446 3.031 -12.602 389 2HG2 ILE 17 2HG2 ILE 17 -6.718 4.087 -13.214 390 3HG2 ILE 17 3HG2 ILE 17 -6.484 3.906 -11.476 391 1HD1 ILE 17 1HD1 ILE 17 -4.189 3.522 -10.055 392 2HD1 ILE 17 2HD1 ILE 17 -4.695 5.207 -9.950 393 3HD1 ILE 17 3HD1 ILE 17 -2.994 4.783 -9.753 394 H TYR 18 H TYR 18 -3.811 6.816 -15.893 395 HA TYR 18 HA TYR 18 -2.262 8.808 -14.393 396 1HB TYR 18 2HB TYR 18 -1.935 7.565 -16.737 397 2HB TYR 18 1HB TYR 18 -2.838 8.958 -17.332 398 HD1 TYR 18 HD1 TYR 18 -1.941 11.247 -17.080 399 HD2 TYR 18 HD2 TYR 18 0.306 7.798 -15.855 400 HE1 TYR 18 HE1 TYR 18 0.120 12.624 -16.981 401 HE2 TYR 18 HE2 TYR 18 2.364 9.174 -15.748 402 HH TYR 18 HH TYR 18 2.736 12.036 -17.196 403 H LYS 19 H LYS 19 -3.483 10.450 -13.433 404 HA LYS 19 HA LYS 19 -4.872 12.376 -15.038 405 1HB LYS 19 2HB LYS 19 -6.281 9.982 -14.501 406 2HB LYS 19 1HB LYS 19 -7.008 11.218 -13.473 407 1HG LYS 19 2HG LYS 19 -7.084 12.712 -15.537 408 2HG LYS 19 1HG LYS 19 -6.671 11.278 -16.479 409 1HD LYS 19 2HD LYS 19 -8.690 10.238 -15.062 410 2HD LYS 19 1HD LYS 19 -9.195 11.928 -15.026 411 1HE LYS 19 2HE LYS 19 -8.335 11.326 -17.693 412 2HE LYS 19 1HE LYS 19 -9.487 10.077 -17.180 413 1HZ LYS 19 1HZ LYS 19 -9.962 12.940 -16.615 414 2HZ LYS 19 2HZ LYS 19 -11.082 11.662 -16.624 415 3HZ LYS 19 3HZ LYS 19 -10.445 12.249 -18.086 416 H LYS 20 H LYS 20 -3.030 12.787 -13.058 417 HA LYS 20 HA LYS 20 -4.095 13.148 -10.410 418 1HB LYS 20 2HB LYS 20 -1.697 12.990 -11.004 419 2HB LYS 20 1HB LYS 20 -1.817 14.521 -11.872 420 1HG LYS 20 2HG LYS 20 -2.480 15.647 -9.768 421 2HG LYS 20 1HG LYS 20 -2.310 14.117 -8.908 422 1HD LYS 20 2HD LYS 20 0.082 14.027 -9.687 423 2HD LYS 20 1HD LYS 20 -0.124 15.655 -10.336 424 1HE LYS 20 2HE LYS 20 -1.104 15.874 -7.735 425 2HE LYS 20 1HE LYS 20 0.317 14.824 -7.568 426 1HZ LYS 20 1HZ LYS 20 0.189 17.459 -8.928 427 2HZ LYS 20 2HZ LYS 20 1.519 16.408 -9.033 428 3HZ LYS 20 3HZ LYS 20 1.074 17.072 -7.535 429 H ALA 21 H ALA 21 -4.663 15.204 -9.389 430 HA ALA 21 HA ALA 21 -6.398 16.868 -10.990 431 1HB ALA 21 1HB ALA 21 -5.222 17.231 -8.214 432 2HB ALA 21 2HB ALA 21 -6.706 16.354 -8.589 433 3HB ALA 21 3HB ALA 21 -6.620 18.096 -8.852 434 HA PRO 22 HA PRO 22 -3.552 19.912 -12.373 435 1HB PRO 22 2HB PRO 22 -5.187 22.104 -12.479 436 2HB PRO 22 1HB PRO 22 -5.282 20.771 -13.646 437 1HG PRO 22 2HG PRO 22 -7.003 21.351 -11.291 438 2HG PRO 22 1HG PRO 22 -7.441 20.707 -12.881 439 1HD PRO 22 2HD PRO 22 -7.178 19.169 -10.632 440 2HD PRO 22 1HD PRO 22 -6.957 18.556 -12.286 441 H THR 23 H THR 23 -2.040 20.345 -10.748 442 HA THR 23 HA THR 23 -2.798 22.447 -8.750 443 HB THR 23 HB THR 23 -1.100 21.033 -7.301 444 HG1 THR 23 HG1 THR 23 -1.083 18.889 -7.875 445 1HG2 THR 23 1HG2 THR 23 -3.909 21.117 -7.577 446 2HG2 THR 23 2HG2 THR 23 -2.988 20.587 -6.169 447 3HG2 THR 23 3HG2 THR 23 -3.484 19.416 -7.390 448 H ASN 24 H ASN 24 -1.694 24.041 -10.058 449 HA ASN 24 HA ASN 24 1.092 23.629 -10.867 450 1HB ASN 24 2HB ASN 24 -0.645 24.984 -12.086 451 2HB ASN 24 1HB ASN 24 -0.601 26.145 -10.758 452 1HD2 ASN 24 1HD2 ASN 24 0.368 26.243 -13.728 453 2HD2 ASN 24 2HD2 ASN 24 1.948 26.850 -13.598 454 H GLU 25 H GLU 25 -0.628 25.287 -8.244 455 HA GLU 25 HA GLU 25 2.019 26.076 -7.075 456 1HB GLU 25 2HB GLU 25 0.509 27.926 -7.614 457 2HB GLU 25 1HB GLU 25 -0.797 27.153 -6.712 458 1HG GLU 25 2HG GLU 25 0.256 27.522 -4.634 459 2HG GLU 25 1HG GLU 25 1.829 27.805 -5.381 460 H PHE 26 H PHE 26 2.098 25.939 -4.654 461 HA PHE 26 HA PHE 26 0.933 23.390 -3.727 462 1HB PHE 26 2HB PHE 26 3.078 25.308 -2.956 463 2HB PHE 26 1HB PHE 26 2.378 24.345 -1.654 464 HD1 PHE 26 HD1 PHE 26 4.423 24.299 -4.686 465 HD2 PHE 26 HD2 PHE 26 2.463 21.864 -1.736 466 HE1 PHE 26 HE1 PHE 26 5.758 22.338 -5.416 467 HE2 PHE 26 HE2 PHE 26 3.798 19.904 -2.467 468 HZ PHE 26 HZ PHE 26 5.446 20.141 -4.306 469 H TYR 27 H TYR 27 0.300 23.577 -1.201 470 HA TYR 27 HA TYR 27 -1.665 25.836 -0.965 471 1HB TYR 27 2HB TYR 27 -1.792 22.888 -0.322 472 2HB TYR 27 1HB TYR 27 -2.920 24.029 0.409 473 HD1 TYR 27 HD1 TYR 27 -4.162 25.649 -1.221 474 HD2 TYR 27 HD2 TYR 27 -2.246 22.004 -2.447 475 HE1 TYR 27 HE1 TYR 27 -5.533 25.624 -3.289 476 HE2 TYR 27 HE2 TYR 27 -3.616 21.979 -4.516 477 HH TYR 27 HH TYR 27 -4.840 23.935 -5.933 478 H ALA 28 HN ALA 28 -0.546 27.194 0.461 479 HA ALA 28 HA ALA 28 -0.165 26.189 3.214 480 1HB ALA 28 1HB ALA 28 2.137 27.485 1.743 481 2HB ALA 28 2HB ALA 28 1.908 25.737 1.745 482 3HB ALA 28 3HB ALA 28 2.182 26.594 3.263 Start of MODEL 6 1 1H ARG 1 1HT ARG 1 10.166 -20.268 -31.795 2 2H ARG 1 2HT ARG 1 10.089 -21.955 -31.609 3 3H ARG 1 3HT ARG 1 10.640 -21.284 -33.069 4 HA ARG 1 HA ARG 1 12.537 -22.068 -31.830 5 1HB ARG 1 2HB ARG 1 11.913 -19.262 -32.473 6 2HB ARG 1 1HB ARG 1 13.286 -19.450 -31.378 7 1HG ARG 1 2HG ARG 1 14.274 -21.106 -32.965 8 2HG ARG 1 1HG ARG 1 12.945 -20.782 -34.081 9 1HD ARG 1 2HD ARG 1 14.000 -18.251 -33.316 10 2HD ARG 1 1HD ARG 1 15.375 -19.285 -33.752 11 HE ARG 1 HE ARG 1 14.261 -19.733 -35.913 12 1HH1 ARG 1 1HH2 ARG 1 14.638 -16.843 -36.091 13 2HH1 ARG 1 2HH2 ARG 1 13.045 -16.245 -36.414 14 1HH2 ARG 1 1HH1 ARG 1 11.457 -19.152 -35.389 15 2HH2 ARG 1 2HH1 ARG 1 11.244 -17.551 -36.017 16 H MET 2 H MET 2 11.968 -23.054 -29.777 17 HA MET 2 HA MET 2 11.965 -21.143 -27.461 18 1HB MET 2 2HB MET 2 9.940 -22.731 -28.182 19 2HB MET 2 1HB MET 2 10.875 -23.925 -27.280 20 1HG MET 2 2HG MET 2 10.982 -21.799 -25.574 21 2HG MET 2 1HG MET 2 9.393 -21.559 -26.301 22 1HE MET 2 1HE MET 2 8.839 -22.828 -22.894 23 2HE MET 2 2HE MET 2 7.522 -22.695 -24.057 24 3HE MET 2 3HE MET 2 8.836 -21.523 -24.088 25 H LYS 3 H LYS 3 13.399 -21.619 -25.766 26 HA LYS 3 HA LYS 3 14.896 -24.175 -25.778 27 1HB LYS 3 2HB LYS 3 17.059 -22.940 -25.945 28 2HB LYS 3 1HB LYS 3 16.071 -22.744 -27.393 29 1HG LYS 3 2HG LYS 3 15.262 -20.574 -26.571 30 2HG LYS 3 1HG LYS 3 16.210 -20.769 -25.096 31 1HD LYS 3 2HD LYS 3 17.838 -21.161 -27.481 32 2HD LYS 3 1HD LYS 3 17.081 -19.567 -27.460 33 1HE LYS 3 2HE LYS 3 17.977 -20.018 -24.814 34 2HE LYS 3 1HE LYS 3 19.309 -20.511 -25.879 35 1HZ LYS 3 1HZ LYS 3 18.683 -18.396 -27.178 36 2HZ LYS 3 2HZ LYS 3 19.588 -18.229 -25.749 37 3HZ LYS 3 3HZ LYS 3 17.918 -17.912 -25.743 38 H LYS 4 H LYS 4 13.085 -22.506 -23.962 39 HA LYS 4 HA LYS 4 14.854 -22.643 -21.563 40 1HB LYS 4 2HB LYS 4 14.010 -20.415 -20.877 41 2HB LYS 4 1HB LYS 4 14.856 -20.328 -22.423 42 1HG LYS 4 2HG LYS 4 12.943 -19.879 -23.602 43 2HG LYS 4 1HG LYS 4 11.938 -20.880 -22.552 44 1HD LYS 4 2HD LYS 4 11.224 -18.711 -22.017 45 2HD LYS 4 1HD LYS 4 12.413 -19.044 -20.756 46 1HE LYS 4 2HE LYS 4 13.946 -18.014 -22.854 47 2HE LYS 4 1HE LYS 4 12.483 -17.008 -22.846 48 1HZ LYS 4 1HZ LYS 4 13.782 -16.037 -21.206 49 2HZ LYS 4 2HZ LYS 4 14.385 -17.523 -20.647 50 3HZ LYS 4 3HZ LYS 4 12.782 -17.072 -20.308 51 H LYS 5 H LYS 5 13.176 -21.946 -19.600 52 HA LYS 5 HA LYS 5 10.523 -23.213 -20.047 53 1HB LYS 5 2HB LYS 5 12.366 -24.907 -19.448 54 2HB LYS 5 1HB LYS 5 12.394 -24.140 -17.858 55 1HG LYS 5 2HG LYS 5 10.035 -24.646 -17.523 56 2HG LYS 5 1HG LYS 5 9.912 -25.300 -19.157 57 1HD LYS 5 2HD LYS 5 10.159 -27.182 -17.687 58 2HD LYS 5 1HD LYS 5 11.711 -26.971 -18.502 59 1HE LYS 5 2HE LYS 5 12.784 -26.431 -16.560 60 2HE LYS 5 1HE LYS 5 11.431 -25.433 -15.988 61 1HZ LYS 5 1HZ LYS 5 11.420 -28.403 -16.098 62 2HZ LYS 5 2HZ LYS 5 10.184 -27.412 -15.483 63 3HZ LYS 5 3HZ LYS 5 11.685 -27.495 -14.690 64 H ASP 6 H ASP 6 10.345 -20.688 -19.615 65 HA ASP 6 HA ASP 6 9.721 -20.376 -16.718 66 1HB ASP 6 2HB ASP 6 11.720 -18.885 -18.379 67 2HB ASP 6 1HB ASP 6 10.833 -17.991 -17.143 68 H GLU 7 H GLU 7 7.574 -19.830 -16.770 69 HA GLU 7 HA GLU 7 6.714 -17.671 -18.647 70 1HB GLU 7 2HB GLU 7 6.007 -20.503 -18.628 71 2HB GLU 7 1HB GLU 7 4.581 -19.473 -18.493 72 1HG GLU 7 2HG GLU 7 5.771 -18.116 -20.429 73 2HG GLU 7 1HG GLU 7 6.584 -19.656 -20.716 74 H GLY 8 H GLY 8 5.284 -16.232 -17.673 75 1HA GLY 8 2HA GLY 8 3.904 -17.049 -15.179 76 2HA GLY 8 1HA GLY 8 5.002 -15.672 -15.080 77 H SER 9 H SER 9 2.188 -15.509 -14.591 78 HA SER 9 HA SER 9 1.512 -13.334 -16.435 79 1HB SER 9 2HB SER 9 -0.549 -14.481 -17.246 80 2HB SER 9 1HB SER 9 0.915 -15.326 -17.741 81 HG SER 9 HG SER 9 -0.157 -16.939 -16.854 82 H TYR 10 H TYR 10 -0.239 -15.654 -14.327 83 HA TYR 10 HA TYR 10 -1.772 -15.221 -12.570 84 1HB TYR 10 2HB TYR 10 0.808 -14.002 -12.181 85 2HB TYR 10 1HB TYR 10 -0.425 -13.006 -11.408 86 HD1 TYR 10 HD1 TYR 10 0.191 -16.685 -11.887 87 HD2 TYR 10 HD2 TYR 10 -0.794 -13.504 -9.171 88 HE1 TYR 10 HE1 TYR 10 0.032 -18.322 -10.029 89 HE2 TYR 10 HE2 TYR 10 -0.953 -15.141 -7.312 90 HH TYR 10 HH TYR 10 -1.455 -18.087 -7.495 91 H ASP 11 H ASP 11 -2.454 -12.831 -11.287 92 HA ASP 11 HA ASP 11 -4.085 -11.522 -13.376 93 1HB ASP 11 2HB ASP 11 -4.119 -12.001 -10.491 94 2HB ASP 11 1HB ASP 11 -4.577 -10.346 -10.896 95 H LEU 12 H LEU 12 -2.234 -10.387 -14.420 96 HA LEU 12 HA LEU 12 -1.851 -7.720 -13.324 97 1HB LEU 12 2HB LEU 12 -0.295 -9.212 -12.018 98 2HB LEU 12 1HB LEU 12 0.528 -9.584 -13.533 99 HG LEU 12 HG LEU 12 0.120 -6.731 -12.643 100 1HD1 LEU 12 1HD1 LEU 12 2.507 -8.496 -12.016 101 2HD1 LEU 12 2HD1 LEU 12 1.294 -7.998 -10.836 102 3HD1 LEU 12 3HD1 LEU 12 2.327 -6.791 -11.602 103 1HD2 LEU 12 1HD2 LEU 12 2.545 -7.078 -13.991 104 2HD2 LEU 12 2HD2 LEU 12 1.055 -6.436 -14.681 105 3HD2 LEU 12 3HD2 LEU 12 1.428 -8.153 -14.831 106 H GLY 13 H GLY 13 -1.473 -6.332 -15.029 107 1HA GLY 13 2HA GLY 13 -0.009 -7.204 -17.409 108 2HA GLY 13 1HA GLY 13 -1.731 -6.944 -17.691 109 H LYS 14 H LYS 14 -2.282 -4.756 -16.135 110 HA LYS 14 HA LYS 14 -0.623 -2.637 -17.443 111 1HB LYS 14 2HB LYS 14 -3.442 -3.150 -17.006 112 2HB LYS 14 1HB LYS 14 -2.995 -1.583 -16.332 113 1HG LYS 14 2HG LYS 14 -3.586 -1.194 -18.625 114 2HG LYS 14 1HG LYS 14 -1.827 -1.093 -18.536 115 1HD LYS 14 2HD LYS 14 -1.587 -2.832 -19.946 116 2HD LYS 14 1HD LYS 14 -2.676 -3.831 -18.982 117 1HE LYS 14 2HE LYS 14 -4.504 -3.334 -20.291 118 2HE LYS 14 1HE LYS 14 -3.942 -1.684 -20.625 119 1HZ LYS 14 1HZ LYS 14 -2.603 -4.122 -21.663 120 2HZ LYS 14 2HZ LYS 14 -2.278 -2.510 -22.088 121 3HZ LYS 14 3HZ LYS 14 -3.743 -3.235 -22.551 122 H LYS 15 H LYS 15 -0.243 -0.658 -16.109 123 HA LYS 15 HA LYS 15 -0.110 -1.281 -13.174 124 1HB LYS 15 2HB LYS 15 2.030 0.007 -13.236 125 2HB LYS 15 1HB LYS 15 2.078 -1.416 -14.278 126 1HG LYS 15 2HG LYS 15 1.615 -0.056 -16.241 127 2HG LYS 15 1HG LYS 15 1.401 1.378 -15.238 128 1HD LYS 15 2HD LYS 15 3.737 1.277 -14.530 129 2HD LYS 15 1HD LYS 15 3.971 -0.219 -15.434 130 1HE LYS 15 2HE LYS 15 2.837 1.852 -17.139 131 2HE LYS 15 1HE LYS 15 4.377 2.371 -16.422 132 1HZ LYS 15 1HZ LYS 15 3.982 -0.324 -17.594 133 2HZ LYS 15 2HZ LYS 15 5.447 0.424 -17.165 134 3HZ LYS 15 3HZ LYS 15 4.562 0.985 -18.504 135 HA PRO 16 HA PRO 16 -2.327 2.486 -12.700 136 1HB PRO 16 2HB PRO 16 -1.698 3.018 -10.089 137 2HB PRO 16 1HB PRO 16 -2.837 1.745 -10.567 138 1HG PRO 16 2HG PRO 16 0.011 1.522 -9.744 139 2HG PRO 16 1HG PRO 16 -1.355 0.453 -9.389 140 1HD PRO 16 2HD PRO 16 0.535 -0.077 -11.293 141 2HD PRO 16 1HD PRO 16 -1.129 -0.699 -11.350 142 H ILE 17 H ILE 17 -1.395 4.193 -13.838 143 HA ILE 17 HA ILE 17 1.189 5.304 -12.865 144 HB ILE 17 HB ILE 17 -0.294 5.858 -15.444 145 1HG1 ILE 17 2HG1 ILE 17 1.912 4.091 -15.831 146 2HG1 ILE 17 1HG1 ILE 17 0.900 3.407 -14.558 147 1HG2 ILE 17 1HG2 ILE 17 1.449 7.458 -15.031 148 2HG2 ILE 17 2HG2 ILE 17 2.092 6.306 -16.201 149 3HG2 ILE 17 3HG2 ILE 17 2.565 6.196 -14.506 150 1HD1 ILE 17 1HD1 ILE 17 0.118 4.127 -17.383 151 2HD1 ILE 17 2HD1 ILE 17 -1.089 3.912 -16.116 152 3HD1 ILE 17 3HD1 ILE 17 -0.038 2.571 -16.567 153 H TYR 18 H TYR 18 -0.946 5.980 -11.235 154 HA TYR 18 HA TYR 18 -2.347 8.373 -12.041 155 1HB TYR 18 2HB TYR 18 -2.410 6.520 -9.986 156 2HB TYR 18 1HB TYR 18 -1.831 7.976 -9.174 157 HD1 TYR 18 HD1 TYR 18 -3.201 9.970 -11.072 158 HD2 TYR 18 HD2 TYR 18 -4.626 6.474 -9.019 159 HE1 TYR 18 HE1 TYR 18 -5.501 10.899 -11.090 160 HE2 TYR 18 HE2 TYR 18 -6.927 7.402 -9.036 161 HH TYR 18 HH TYR 18 -7.577 10.685 -10.073 162 H LYS 19 H LYS 19 -0.555 9.705 -12.896 163 HA LYS 19 HA LYS 19 0.660 11.376 -10.790 164 1HB LYS 19 2HB LYS 19 2.094 9.269 -11.312 165 2HB LYS 19 1HB LYS 19 2.454 10.074 -12.840 166 1HG LYS 19 2HG LYS 19 3.395 11.981 -11.698 167 2HG LYS 19 1HG LYS 19 2.859 11.370 -10.133 168 1HD LYS 19 2HD LYS 19 4.460 9.401 -11.565 169 2HD LYS 19 1HD LYS 19 5.345 10.906 -11.315 170 1HE LYS 19 2HE LYS 19 4.647 10.811 -8.878 171 2HE LYS 19 1HE LYS 19 4.029 9.178 -9.195 172 1HZ LYS 19 1HZ LYS 19 6.460 9.407 -8.461 173 2HZ LYS 19 2HZ LYS 19 6.747 9.968 -10.039 174 3HZ LYS 19 3HZ LYS 19 6.124 8.408 -9.789 175 H LYS 20 H LYS 20 -1.199 11.569 -13.197 176 HA LYS 20 HA LYS 20 0.007 12.885 -15.392 177 1HB LYS 20 2HB LYS 20 -2.441 12.078 -14.813 178 2HB LYS 20 1HB LYS 20 -2.643 13.742 -14.264 179 1HG LYS 20 2HG LYS 20 -2.990 14.343 -16.405 180 2HG LYS 20 1HG LYS 20 -1.312 13.915 -16.743 181 1HD LYS 20 2HD LYS 20 -2.469 11.447 -16.730 182 2HD LYS 20 1HD LYS 20 -3.796 12.428 -17.352 183 1HE LYS 20 2HE LYS 20 -1.942 13.460 -18.915 184 2HE LYS 20 1HE LYS 20 -1.078 11.952 -18.551 185 1HZ LYS 20 1HZ LYS 20 -3.319 10.843 -19.015 186 2HZ LYS 20 2HZ LYS 20 -2.422 11.388 -20.351 187 3HZ LYS 20 3HZ LYS 20 -3.743 12.294 -19.785 188 H ALA 21 H ALA 21 0.790 14.958 -15.671 189 HA ALA 21 HA ALA 21 0.416 16.906 -13.419 190 1HB ALA 21 1HB ALA 21 2.859 16.125 -15.029 191 2HB ALA 21 2HB ALA 21 2.642 16.026 -13.282 192 3HB ALA 21 3HB ALA 21 2.801 17.599 -14.064 193 HA PRO 22 HA PRO 22 -0.752 18.639 -17.597 194 1HB PRO 22 2HB PRO 22 -3.325 19.312 -16.953 195 2HB PRO 22 1HB PRO 22 -2.875 17.723 -17.602 196 1HG PRO 22 2HG PRO 22 -3.454 18.528 -14.799 197 2HG PRO 22 1HG PRO 22 -3.853 17.028 -15.649 198 1HD PRO 22 2HD PRO 22 -1.777 17.277 -13.882 199 2HD PRO 22 1HD PRO 22 -1.825 16.082 -15.196 200 H THR 23 H THR 23 -0.565 19.629 -14.358 201 HA THR 23 HA THR 23 -0.402 21.760 -13.330 202 HB THR 23 HB THR 23 0.486 22.706 -16.046 203 HG1 THR 23 HG1 THR 23 2.012 21.026 -14.360 204 1HG2 THR 23 1HG2 THR 23 0.779 23.527 -13.313 205 2HG2 THR 23 2HG2 THR 23 1.360 24.334 -14.770 206 3HG2 THR 23 3HG2 THR 23 2.371 23.134 -13.964 207 H ASN 24 H ASN 24 -0.918 24.266 -13.929 208 HA ASN 24 HA ASN 24 -3.737 24.257 -14.892 209 1HB ASN 24 2HB ASN 24 -3.766 26.461 -13.717 210 2HB ASN 24 1HB ASN 24 -3.231 25.153 -12.663 211 1HD2 ASN 24 1HD2 ASN 24 -2.342 28.216 -13.962 212 2HD2 ASN 24 2HD2 ASN 24 -0.733 28.227 -13.423 213 H GLU 25 H GLU 25 -1.511 24.124 -16.811 214 HA GLU 25 HA GLU 25 -1.309 26.840 -17.964 215 1HB GLU 25 2HB GLU 25 0.202 25.656 -19.543 216 2HB GLU 25 1HB GLU 25 0.624 25.313 -17.864 217 1HG GLU 25 2HG GLU 25 0.233 23.113 -18.146 218 2HG GLU 25 1HG GLU 25 -1.367 23.434 -18.817 219 H PHE 26 H PHE 26 -2.039 27.280 -20.158 220 HA PHE 26 HA PHE 26 -4.302 25.514 -21.034 221 1HB PHE 26 2HB PHE 26 -4.582 27.958 -20.109 222 2HB PHE 26 1HB PHE 26 -4.011 28.432 -21.709 223 HD1 PHE 26 HD1 PHE 26 -5.434 28.319 -23.608 224 HD2 PHE 26 HD2 PHE 26 -6.611 26.441 -19.925 225 HE1 PHE 26 HE1 PHE 26 -7.698 27.914 -24.537 226 HE2 PHE 26 HE2 PHE 26 -8.876 26.038 -20.854 227 HZ PHE 26 HZ PHE 26 -9.420 26.773 -23.161 228 H TYR 27 H TYR 27 -1.675 24.938 -21.925 229 HA TYR 27 HA TYR 27 -1.921 25.645 -24.820 230 1HB TYR 27 2HB TYR 27 -0.302 27.151 -23.717 231 2HB TYR 27 1HB TYR 27 0.580 25.754 -23.100 232 HD1 TYR 27 HD1 TYR 27 2.462 25.102 -24.301 233 HD2 TYR 27 HD2 TYR 27 -0.810 26.957 -26.381 234 HE1 TYR 27 HE1 TYR 27 3.734 24.964 -26.427 235 HE2 TYR 27 HE2 TYR 27 0.463 26.820 -28.507 236 HH TYR 27 HH TYR 27 2.759 26.629 -29.264 237 H ALA 28 HN ALA 28 -2.843 23.245 -24.113 238 HA ALA 28 HA ALA 28 -0.742 21.201 -23.953 239 1HB ALA 28 1HB ALA 28 -2.989 19.828 -24.413 240 2HB ALA 28 2HB ALA 28 -3.729 21.376 -24.002 241 3HB ALA 28 3HB ALA 28 -2.676 20.567 -22.843 242 1H ARG 1 1HT ARG 1 -16.489 -22.597 -1.012 243 2H ARG 1 2HT ARG 1 -16.500 -24.216 -1.524 244 3H ARG 1 3HT ARG 1 -17.043 -23.811 0.034 245 HA ARG 1 HA ARG 1 -18.954 -24.229 -1.353 246 1HB ARG 1 2HB ARG 1 -18.195 -21.643 -0.165 247 2HB ARG 1 1HB ARG 1 -19.551 -21.535 -1.288 248 1HG ARG 1 2HG ARG 1 -20.658 -23.412 -0.067 249 2HG ARG 1 1HG ARG 1 -19.339 -23.387 1.103 250 1HD ARG 1 2HD ARG 1 -20.242 -20.699 0.838 251 2HD ARG 1 1HD ARG 1 -21.679 -21.720 1.048 252 HE ARG 1 HE ARG 1 -20.637 -22.640 3.092 253 1HH1 ARG 1 1HH2 ARG 1 -20.864 -19.824 3.827 254 2HH1 ARG 1 2HH2 ARG 1 -19.248 -19.390 4.276 255 1HH2 ARG 1 1HH1 ARG 1 -17.796 -22.127 2.719 256 2HH2 ARG 1 2HH1 ARG 1 -17.511 -20.695 3.651 257 H MET 2 H MET 2 -18.394 -24.827 -3.550 258 HA MET 2 HA MET 2 -18.239 -22.508 -5.451 259 1HB MET 2 2HB MET 2 -16.318 -24.318 -5.030 260 2HB MET 2 1HB MET 2 -17.296 -25.259 -6.157 261 1HG MET 2 2HG MET 2 -17.254 -22.841 -7.418 262 2HG MET 2 1HG MET 2 -15.671 -22.836 -6.641 263 1HE MET 2 1HE MET 2 -15.113 -23.448 -10.223 264 2HE MET 2 2HE MET 2 -13.815 -23.618 -9.044 265 3HE MET 2 3HE MET 2 -15.064 -22.401 -8.797 266 H LYS 3 H LYS 3 -19.662 -22.564 -7.219 267 HA LYS 3 HA LYS 3 -21.293 -24.983 -7.724 268 1HB LYS 3 2HB LYS 3 -23.389 -23.685 -7.340 269 2HB LYS 3 1HB LYS 3 -22.423 -23.830 -5.870 270 1HG LYS 3 2HG LYS 3 -21.483 -21.591 -6.245 271 2HG LYS 3 1HG LYS 3 -22.408 -21.442 -7.740 272 1HD LYS 3 2HD LYS 3 -24.106 -22.197 -5.495 273 2HD LYS 3 1HD LYS 3 -23.264 -20.676 -5.196 274 1HE LYS 3 2HE LYS 3 -24.127 -20.551 -7.888 275 2HE LYS 3 1HE LYS 3 -25.505 -21.165 -6.954 276 1HZ LYS 3 1HZ LYS 3 -24.793 -19.382 -5.260 277 2HZ LYS 3 2HZ LYS 3 -25.657 -18.889 -6.637 278 3HZ LYS 3 3HZ LYS 3 -23.974 -18.672 -6.565 279 H LYS 4 H LYS 4 -19.357 -23.102 -9.160 280 HA LYS 4 HA LYS 4 -21.079 -22.666 -11.558 281 1HB LYS 4 2HB LYS 4 -20.104 -20.397 -11.784 282 2HB LYS 4 1HB LYS 4 -20.977 -20.565 -10.260 283 1HG LYS 4 2HG LYS 4 -19.068 -20.462 -8.997 284 2HG LYS 4 1HG LYS 4 -18.097 -21.296 -10.211 285 1HD LYS 4 2HD LYS 4 -17.255 -19.108 -10.306 286 2HD LYS 4 1HD LYS 4 -18.434 -19.122 -11.618 287 1HE LYS 4 2HE LYS 4 -19.953 -18.435 -9.375 288 2HE LYS 4 1HE LYS 4 -18.438 -17.531 -9.171 289 1HZ LYS 4 1HZ LYS 4 -19.648 -16.188 -10.604 290 2HZ LYS 4 2HZ LYS 4 -20.318 -17.501 -11.449 291 3HZ LYS 4 3HZ LYS 4 -18.686 -17.083 -11.674 292 H LYS 5 H LYS 5 -19.325 -21.696 -13.328 293 HA LYS 5 HA LYS 5 -16.753 -23.172 -13.107 294 1HB LYS 5 2HB LYS 5 -18.671 -24.612 -14.044 295 2HB LYS 5 1HB LYS 5 -18.625 -23.551 -15.454 296 1HG LYS 5 2HG LYS 5 -16.289 -24.113 -15.857 297 2HG LYS 5 1HG LYS 5 -16.237 -25.079 -14.382 298 1HD LYS 5 2HD LYS 5 -16.554 -26.621 -16.194 299 2HD LYS 5 1HD LYS 5 -18.108 -26.487 -15.371 300 1HE LYS 5 2HE LYS 5 -19.110 -25.519 -17.181 301 2HE LYS 5 1HE LYS 5 -17.694 -24.506 -17.533 302 1HZ LYS 5 1HZ LYS 5 -17.842 -27.437 -18.004 303 2HZ LYS 5 2HZ LYS 5 -16.544 -26.416 -18.401 304 3HZ LYS 5 3HZ LYS 5 -18.029 -26.260 -19.211 305 H ASP 6 H ASP 6 -16.433 -20.624 -13.038 306 HA ASP 6 HA ASP 6 -15.731 -19.794 -15.811 307 1HB ASP 6 2HB ASP 6 -17.682 -18.541 -13.914 308 2HB ASP 6 1HB ASP 6 -16.721 -17.477 -14.943 309 H GLU 7 H GLU 7 -13.560 -19.388 -15.634 310 HA GLU 7 HA GLU 7 -12.624 -17.689 -13.360 311 1HB GLU 7 2HB GLU 7 -12.070 -20.500 -13.925 312 2HB GLU 7 1HB GLU 7 -10.589 -19.545 -13.840 313 1HG GLU 7 2HG GLU 7 -11.747 -18.527 -11.689 314 2HG GLU 7 1HG GLU 7 -12.644 -20.045 -11.718 315 H GLY 8 H GLY 8 -11.100 -16.171 -14.020 316 1HA GLY 8 2HA GLY 8 -9.711 -16.568 -16.609 317 2HA GLY 8 1HA GLY 8 -10.732 -15.137 -16.451 318 H SER 9 H SER 9 -7.904 -15.039 -16.868 319 HA SER 9 HA SER 9 -7.153 -13.308 -14.626 320 1HB SER 9 2HB SER 9 -5.175 -14.708 -14.033 321 2HB SER 9 1HB SER 9 -6.693 -15.548 -13.730 322 HG SER 9 HG SER 9 -5.689 -17.016 -14.904 323 H TYR 10 H TYR 10 -5.482 -15.269 -17.127 324 HA TYR 10 HA TYR 10 -3.892 -14.588 -18.751 325 1HB TYR 10 2HB TYR 10 -6.395 -13.172 -18.921 326 2HB TYR 10 1HB TYR 10 -5.094 -12.117 -19.472 327 HD1 TYR 10 HD1 TYR 10 -5.918 -15.779 -19.727 328 HD2 TYR 10 HD2 TYR 10 -4.703 -12.192 -21.761 329 HE1 TYR 10 HE1 TYR 10 -5.809 -17.029 -21.868 330 HE2 TYR 10 HE2 TYR 10 -4.595 -13.443 -23.902 331 HH TYR 10 HH TYR 10 -4.256 -16.390 -24.292 332 H ASP 11 H ASP 11 -3.055 -12.037 -19.534 333 HA ASP 11 HA ASP 11 -1.401 -11.255 -17.213 334 1HB ASP 11 2HB ASP 11 -1.335 -11.163 -20.135 335 2HB ASP 11 1HB ASP 11 -0.798 -9.647 -19.410 336 H LEU 12 H LEU 12 -3.215 -10.241 -15.988 337 HA LEU 12 HA LEU 12 -3.429 -7.394 -16.548 338 1HB LEU 12 2HB LEU 12 -5.038 -8.516 -18.133 339 2HB LEU 12 1HB LEU 12 -5.911 -9.124 -16.726 340 HG LEU 12 HG LEU 12 -5.329 -6.183 -17.042 341 1HD1 LEU 12 1HD1 LEU 12 -7.793 -7.651 -18.031 342 2HD1 LEU 12 2HD1 LEU 12 -6.528 -7.004 -19.075 343 3HD1 LEU 12 3HD1 LEU 12 -7.511 -5.911 -18.101 344 1HD2 LEU 12 1HD2 LEU 12 -7.799 -6.640 -15.817 345 2HD2 LEU 12 2HD2 LEU 12 -6.291 -6.235 -14.997 346 3HD2 LEU 12 3HD2 LEU 12 -6.762 -7.923 -15.191 347 H GLY 13 H GLY 13 -3.768 -6.343 -14.608 348 1HA GLY 13 2HA GLY 13 -5.323 -7.574 -12.457 349 2HA GLY 13 1HA GLY 13 -3.595 -7.471 -12.114 350 H LYS 14 H LYS 14 -2.893 -5.056 -13.201 351 HA LYS 14 HA LYS 14 -4.465 -3.141 -11.522 352 1HB LYS 14 2HB LYS 14 -1.669 -3.717 -12.022 353 2HB LYS 14 1HB LYS 14 -2.017 -2.024 -12.375 354 1HG LYS 14 2HG LYS 14 -1.459 -2.131 -10.043 355 2HG LYS 14 1HG LYS 14 -3.208 -1.919 -10.132 356 1HD LYS 14 2HD LYS 14 -3.569 -3.886 -9.098 357 2HD LYS 14 1HD LYS 14 -2.513 -4.732 -10.230 358 1HE LYS 14 2HE LYS 14 -0.693 -4.613 -8.827 359 2HE LYS 14 1HE LYS 14 -1.169 -3.029 -8.183 360 1HZ LYS 14 1HZ LYS 14 -2.664 -5.538 -7.656 361 2HZ LYS 14 2HZ LYS 14 -2.910 -4.023 -6.928 362 3HZ LYS 14 3HZ LYS 14 -1.498 -4.908 -6.599 363 H LYS 15 H LYS 15 -4.701 -0.917 -12.446 364 HA LYS 15 HA LYS 15 -4.806 -0.948 -15.445 365 1HB LYS 15 2HB LYS 15 -6.878 0.419 -15.158 366 2HB LYS 15 1HB LYS 15 -7.021 -1.177 -14.421 367 1HG LYS 15 2HG LYS 15 -6.536 -0.259 -12.221 368 2HG LYS 15 1HG LYS 15 -6.227 1.332 -12.917 369 1HD LYS 15 2HD LYS 15 -8.548 1.497 -13.664 370 2HD LYS 15 1HD LYS 15 -8.878 -0.131 -13.071 371 1HE LYS 15 2HE LYS 15 -7.679 1.503 -10.981 372 2HE LYS 15 1HE LYS 15 -9.171 2.237 -11.603 373 1HZ LYS 15 1HZ LYS 15 -8.948 -0.652 -10.979 374 2HZ LYS 15 2HZ LYS 15 -10.360 0.248 -11.266 375 3HZ LYS 15 3HZ LYS 15 -9.476 0.483 -9.834 376 HA PRO 16 HA PRO 16 -2.399 2.718 -15.172 377 1HB PRO 16 2HB PRO 16 -2.951 3.771 -17.635 378 2HB PRO 16 1HB PRO 16 -1.890 2.367 -17.401 379 1HG PRO 16 2HG PRO 16 -4.731 2.467 -18.275 380 2HG PRO 16 1HG PRO 16 -3.419 1.409 -18.815 381 1HD PRO 16 2HD PRO 16 -5.374 0.642 -17.062 382 2HD PRO 16 1HD PRO 16 -3.753 -0.082 -17.119 383 H ILE 17 H ILE 17 -3.262 4.201 -13.724 384 HA ILE 17 HA ILE 17 -5.759 5.631 -14.479 385 HB ILE 17 HB ILE 17 -4.298 5.580 -11.829 386 1HG1 ILE 17 2HG1 ILE 17 -6.604 3.897 -11.820 387 2HG1 ILE 17 1HG1 ILE 17 -5.601 3.420 -13.191 388 1HG2 ILE 17 1HG2 ILE 17 -5.947 7.323 -11.934 389 2HG2 ILE 17 2HG2 ILE 17 -6.672 6.002 -11.018 390 3HG2 ILE 17 3HG2 ILE 17 -7.117 6.254 -12.706 391 1HD1 ILE 17 1HD1 ILE 17 -4.845 3.528 -10.271 392 2HD1 ILE 17 2HD1 ILE 17 -3.623 3.497 -11.543 393 3HD1 ILE 17 3HD1 ILE 17 -4.755 2.156 -11.374 394 H TYR 18 H TYR 18 -3.569 6.489 -15.931 395 HA TYR 18 HA TYR 18 -2.051 8.593 -14.657 396 1HB TYR 18 2HB TYR 18 -2.042 7.172 -17.032 397 2HB TYR 18 1HB TYR 18 -2.522 8.787 -17.552 398 HD1 TYR 18 HD1 TYR 18 -1.086 10.294 -15.284 399 HD2 TYR 18 HD2 TYR 18 0.189 7.188 -17.967 400 HE1 TYR 18 HE1 TYR 18 1.262 11.065 -15.061 401 HE2 TYR 18 HE2 TYR 18 2.536 7.959 -17.744 402 HH TYR 18 HH TYR 18 3.344 10.934 -16.084 403 H LYS 19 H LYS 19 -3.787 9.825 -13.576 404 HA LYS 19 HA LYS 19 -4.867 11.943 -15.325 405 1HB LYS 19 2HB LYS 19 -6.421 9.857 -15.232 406 2HB LYS 19 1HB LYS 19 -6.767 10.374 -13.582 407 1HG LYS 19 2HG LYS 19 -7.584 12.513 -14.344 408 2HG LYS 19 1HG LYS 19 -7.045 12.187 -15.992 409 1HD LYS 19 2HD LYS 19 -8.778 10.069 -14.991 410 2HD LYS 19 1HD LYS 19 -9.578 11.641 -14.952 411 1HE LYS 19 2HE LYS 19 -8.832 11.984 -17.352 412 2HE LYS 19 1HE LYS 19 -8.308 10.288 -17.354 413 1HZ LYS 19 1HZ LYS 19 -10.707 10.793 -18.057 414 2HZ LYS 19 2HZ LYS 19 -10.999 11.050 -16.403 415 3HZ LYS 19 3HZ LYS 19 -10.454 9.536 -16.946 416 H LYS 20 H LYS 20 -3.046 11.553 -12.908 417 HA LYS 20 HA LYS 20 -4.220 12.485 -10.510 418 1HB LYS 20 2HB LYS 20 -1.807 11.669 -11.214 419 2HB LYS 20 1HB LYS 20 -1.507 13.394 -11.425 420 1HG LYS 20 2HG LYS 20 -1.170 13.544 -9.205 421 2HG LYS 20 1HG LYS 20 -2.875 13.158 -8.973 422 1HD LYS 20 2HD LYS 20 -1.857 10.675 -9.457 423 2HD LYS 20 1HD LYS 20 -0.491 11.438 -8.641 424 1HE LYS 20 2HE LYS 20 -2.320 12.253 -6.928 425 2HE LYS 20 1HE LYS 20 -3.257 10.898 -7.587 426 1HZ LYS 20 1HZ LYS 20 -1.091 9.593 -7.323 427 2HZ LYS 20 2HZ LYS 20 -1.987 9.919 -5.916 428 3HZ LYS 20 3HZ LYS 20 -0.606 10.840 -6.281 429 H ALA 21 H ALA 21 -4.900 14.505 -9.839 430 HA ALA 21 HA ALA 21 -4.376 16.829 -11.665 431 1HB ALA 21 1HB ALA 21 -6.890 15.891 -10.263 432 2HB ALA 21 2HB ALA 21 -6.641 16.122 -11.993 433 3HB ALA 21 3HB ALA 21 -6.731 17.519 -10.921 434 HA PRO 22 HA PRO 22 -3.206 17.649 -7.216 435 1HB PRO 22 2HB PRO 22 -0.587 18.289 -7.691 436 2HB PRO 22 1HB PRO 22 -1.134 16.632 -7.367 437 1HG PRO 22 2HG PRO 22 -0.454 17.928 -9.955 438 2HG PRO 22 1HG PRO 22 -0.155 16.271 -9.407 439 1HD PRO 22 2HD PRO 22 -2.175 16.976 -11.115 440 2HD PRO 22 1HD PRO 22 -2.221 15.548 -10.058 441 H THR 23 H THR 23 -3.269 19.259 -10.203 442 HA THR 23 HA THR 23 -3.297 21.554 -10.796 443 HB THR 23 HB THR 23 -4.192 22.001 -7.957 444 HG1 THR 23 HG1 THR 23 -5.768 20.770 -9.958 445 1HG2 THR 23 1HG2 THR 23 -4.382 23.355 -10.479 446 2HG2 THR 23 2HG2 THR 23 -4.949 23.893 -8.899 447 3HG2 THR 23 3HG2 THR 23 -6.006 22.934 -9.935 448 H ASN 24 H ASN 24 -2.659 23.862 -9.716 449 HA ASN 24 HA ASN 24 0.134 23.506 -8.742 450 1HB ASN 24 2HB ASN 24 0.304 25.891 -9.463 451 2HB ASN 24 1HB ASN 24 -0.278 24.845 -10.759 452 1HD2 ASN 24 1HD2 ASN 24 -1.029 27.643 -8.894 453 2HD2 ASN 24 2HD2 ASN 24 -2.624 27.849 -9.437 454 H GLU 25 H GLU 25 -2.138 23.128 -6.910 455 HA GLU 25 HA GLU 25 -2.219 25.576 -5.250 456 1HB GLU 25 2HB GLU 25 -3.826 24.195 -3.949 457 2HB GLU 25 1HB GLU 25 -4.228 24.209 -5.667 458 1HG GLU 25 2HG GLU 25 -3.964 21.979 -5.814 459 2HG GLU 25 1HG GLU 25 -2.363 22.070 -5.078 460 H PHE 26 H PHE 26 -1.513 25.541 -3.003 461 HA PHE 26 HA PHE 26 0.633 23.512 -2.467 462 1HB PHE 26 2HB PHE 26 1.063 26.071 -2.892 463 2HB PHE 26 1HB PHE 26 0.484 26.253 -1.235 464 HD1 PHE 26 HD1 PHE 26 1.861 25.693 0.619 465 HD2 PHE 26 HD2 PHE 26 3.010 24.504 -3.347 466 HE1 PHE 26 HE1 PHE 26 4.080 24.987 1.474 467 HE2 PHE 26 HE2 PHE 26 5.229 23.797 -2.493 468 HZ PHE 26 HZ PHE 26 5.765 24.038 -0.082 469 H TYR 27 H TYR 27 -2.038 22.923 -1.733 470 HA TYR 27 HA TYR 27 -1.816 23.037 1.246 471 1HB TYR 27 2HB TYR 27 -3.329 24.819 0.446 472 2HB TYR 27 1HB TYR 27 -4.271 23.620 -0.442 473 HD1 TYR 27 HD1 TYR 27 -6.209 22.855 0.588 474 HD2 TYR 27 HD2 TYR 27 -2.888 24.082 3.025 475 HE1 TYR 27 HE1 TYR 27 -7.532 22.379 2.631 476 HE2 TYR 27 HE2 TYR 27 -4.212 23.606 5.069 477 HH TYR 27 HH TYR 27 -6.531 23.403 5.750 478 H ALA 28 HN ALA 28 -1.010 20.773 0.093 479 HA ALA 28 HA ALA 28 -3.213 18.922 -0.484 480 1HB ALA 28 1HB ALA 28 -1.052 17.361 -0.277 481 2HB ALA 28 2HB ALA 28 -0.223 18.913 -0.369 482 3HB ALA 28 3HB ALA 28 -1.292 18.406 -1.676 Start of MODEL 7 1 1H ARG 1 1HT ARG 1 -11.095 -14.134 -33.823 2 2H ARG 1 2HT ARG 1 -11.444 -14.280 -32.166 3 3H ARG 1 3HT ARG 1 -12.295 -13.163 -33.122 4 HA ARG 1 HA ARG 1 -13.791 -14.936 -32.888 5 1HB ARG 1 2HB ARG 1 -12.273 -14.519 -35.377 6 2HB ARG 1 1HB ARG 1 -13.171 -16.036 -35.342 7 1HG ARG 1 2HG ARG 1 -15.242 -14.909 -34.938 8 2HG ARG 1 1HG ARG 1 -14.422 -13.384 -34.599 9 1HD ARG 1 2HD ARG 1 -13.993 -12.957 -36.848 10 2HD ARG 1 1HD ARG 1 -14.014 -14.678 -37.281 11 HE ARG 1 HE ARG 1 -16.508 -13.253 -36.437 12 1HH1 ARG 1 1HH2 ARG 1 -14.972 -14.023 -39.250 13 2HH1 ARG 1 2HH2 ARG 1 -16.206 -15.064 -39.880 14 1HH2 ARG 1 1HH1 ARG 1 -18.002 -15.166 -36.914 15 2HH2 ARG 1 2HH1 ARG 1 -17.922 -15.711 -38.556 16 H MET 2 H MET 2 -10.988 -16.483 -34.494 17 HA MET 2 HA MET 2 -11.522 -19.123 -33.648 18 1HB MET 2 2HB MET 2 -9.249 -17.529 -34.678 19 2HB MET 2 1HB MET 2 -8.798 -19.020 -33.853 20 1HG MET 2 2HG MET 2 -9.139 -19.843 -35.989 21 2HG MET 2 1HG MET 2 -10.766 -20.025 -35.333 22 1HE MET 2 1HE MET 2 -10.704 -20.204 -38.184 23 2HE MET 2 2HE MET 2 -9.173 -19.353 -38.382 24 3HE MET 2 3HE MET 2 -10.614 -18.762 -39.206 25 H LYS 3 H LYS 3 -10.271 -20.399 -32.007 26 HA LYS 3 HA LYS 3 -9.244 -18.808 -29.705 27 1HB LYS 3 2HB LYS 3 -11.846 -19.889 -29.919 28 2HB LYS 3 1HB LYS 3 -10.971 -20.957 -28.819 29 1HG LYS 3 2HG LYS 3 -10.141 -18.678 -27.768 30 2HG LYS 3 1HG LYS 3 -11.600 -18.040 -28.527 31 1HD LYS 3 2HD LYS 3 -12.535 -20.349 -27.361 32 2HD LYS 3 1HD LYS 3 -11.327 -19.812 -26.193 33 1HE LYS 3 2HE LYS 3 -13.482 -17.991 -27.318 34 2HE LYS 3 1HE LYS 3 -13.617 -18.843 -25.767 35 1HZ LYS 3 1HZ LYS 3 -11.455 -16.966 -26.563 36 2HZ LYS 3 2HZ LYS 3 -11.478 -17.859 -25.118 37 3HZ LYS 3 3HZ LYS 3 -12.659 -16.671 -25.406 38 H LYS 4 H LYS 4 -8.042 -20.197 -28.167 39 HA LYS 4 HA LYS 4 -7.331 -22.909 -29.185 40 1HB LYS 4 2HB LYS 4 -5.648 -20.452 -29.009 41 2HB LYS 4 1HB LYS 4 -4.885 -21.979 -28.563 42 1HG LYS 4 2HG LYS 4 -6.224 -22.671 -30.861 43 2HG LYS 4 1HG LYS 4 -5.737 -21.013 -31.210 44 1HD LYS 4 2HD LYS 4 -3.549 -21.575 -31.372 45 2HD LYS 4 1HD LYS 4 -3.620 -22.589 -29.930 46 1HE LYS 4 2HE LYS 4 -5.138 -23.994 -31.816 47 2HE LYS 4 1HE LYS 4 -3.741 -23.390 -32.729 48 1HZ LYS 4 1HZ LYS 4 -3.192 -25.462 -31.609 49 2HZ LYS 4 2HZ LYS 4 -3.630 -24.793 -30.110 50 3HZ LYS 4 3HZ LYS 4 -2.291 -24.182 -30.958 51 H LYS 5 H LYS 5 -5.641 -20.927 -26.788 52 HA LYS 5 HA LYS 5 -5.635 -22.944 -24.773 53 1HB LYS 5 2HB LYS 5 -4.241 -20.766 -25.147 54 2HB LYS 5 1HB LYS 5 -5.526 -19.980 -24.229 55 1HG LYS 5 2HG LYS 5 -5.178 -21.635 -22.395 56 2HG LYS 5 1HG LYS 5 -3.823 -22.311 -23.300 57 1HD LYS 5 2HD LYS 5 -2.970 -19.829 -23.346 58 2HD LYS 5 1HD LYS 5 -4.054 -19.627 -21.970 59 1HE LYS 5 2HE LYS 5 -2.872 -21.216 -20.658 60 2HE LYS 5 1HE LYS 5 -2.035 -21.881 -22.075 61 1HZ LYS 5 1HZ LYS 5 -0.483 -20.428 -21.153 62 2HZ LYS 5 2HZ LYS 5 -1.652 -19.252 -20.777 63 3HZ LYS 5 3HZ LYS 5 -1.189 -19.508 -22.391 64 H ASP 6 H ASP 6 -7.916 -20.334 -25.480 65 HA ASP 6 HA ASP 6 -10.043 -19.860 -24.565 66 1HB ASP 6 2HB ASP 6 -10.391 -22.157 -25.349 67 2HB ASP 6 1HB ASP 6 -9.704 -22.792 -23.854 68 H GLU 7 H GLU 7 -8.473 -18.633 -22.941 69 HA GLU 7 HA GLU 7 -8.982 -19.702 -20.182 70 1HB GLU 7 2HB GLU 7 -6.581 -19.454 -21.302 71 2HB GLU 7 1HB GLU 7 -6.783 -17.769 -20.820 72 1HG GLU 7 2HG GLU 7 -7.200 -18.458 -18.500 73 2HG GLU 7 1HG GLU 7 -7.053 -20.153 -18.967 74 H GLY 8 H GLY 8 -9.632 -18.137 -18.607 75 1HA GLY 8 2HA GLY 8 -10.702 -15.615 -19.786 76 2HA GLY 8 1HA GLY 8 -11.314 -16.381 -18.320 77 H SER 9 H SER 9 -7.886 -15.970 -19.019 78 HA SER 9 HA SER 9 -7.617 -13.576 -17.348 79 1HB SER 9 2HB SER 9 -6.810 -16.331 -16.363 80 2HB SER 9 1HB SER 9 -6.337 -14.825 -15.582 81 HG SER 9 HG SER 9 -8.263 -15.824 -14.713 82 H TYR 10 H TYR 10 -5.256 -13.003 -17.111 83 HA TYR 10 HA TYR 10 -3.516 -14.376 -19.126 84 1HB TYR 10 2HB TYR 10 -4.436 -11.531 -18.924 85 2HB TYR 10 1HB TYR 10 -2.818 -11.843 -19.549 86 HD1 TYR 10 HD1 TYR 10 -6.176 -11.466 -20.470 87 HD2 TYR 10 HD2 TYR 10 -2.730 -13.900 -21.292 88 HE1 TYR 10 HE1 TYR 10 -7.142 -12.093 -22.668 89 HE2 TYR 10 HE2 TYR 10 -3.696 -14.527 -23.490 90 HH TYR 10 HH TYR 10 -5.342 -14.159 -24.946 91 H ASP 11 H ASP 11 -2.792 -11.359 -17.463 92 HA ASP 11 HA ASP 11 -1.343 -12.576 -15.249 93 1HB ASP 11 2HB ASP 11 -0.013 -13.142 -17.339 94 2HB ASP 11 1HB ASP 11 0.278 -11.413 -17.531 95 H LEU 12 H LEU 12 -0.365 -10.931 -13.885 96 HA LEU 12 HA LEU 12 -1.694 -8.365 -13.983 97 1HB LEU 12 2HB LEU 12 -0.539 -9.989 -12.095 98 2HB LEU 12 1HB LEU 12 0.669 -8.713 -12.250 99 HG LEU 12 HG LEU 12 -1.193 -7.031 -11.972 100 1HD1 LEU 12 1HD1 LEU 12 -3.146 -8.379 -10.630 101 2HD1 LEU 12 2HD1 LEU 12 -2.715 -9.568 -11.860 102 3HD1 LEU 12 3HD1 LEU 12 -3.246 -7.956 -12.339 103 1HD2 LEU 12 1HD2 LEU 12 -0.474 -9.029 -9.828 104 2HD2 LEU 12 2HD2 LEU 12 -1.530 -7.662 -9.470 105 3HD2 LEU 12 3HD2 LEU 12 0.117 -7.379 -10.039 106 H GLY 13 H GLY 13 -0.555 -8.200 -16.357 107 1HA GLY 13 2HA GLY 13 2.180 -7.108 -16.174 108 2HA GLY 13 1HA GLY 13 1.251 -7.329 -17.657 109 H LYS 14 H LYS 14 -1.099 -5.965 -16.253 110 HA LYS 14 HA LYS 14 -0.552 -3.288 -17.222 111 1HB LYS 14 2HB LYS 14 -2.746 -4.916 -16.520 112 2HB LYS 14 1HB LYS 14 -2.828 -3.522 -15.441 113 1HG LYS 14 2HG LYS 14 -4.049 -3.050 -17.516 114 2HG LYS 14 1HG LYS 14 -2.624 -2.015 -17.403 115 1HD LYS 14 2HD LYS 14 -1.609 -4.230 -18.675 116 2HD LYS 14 1HD LYS 14 -3.242 -4.145 -19.339 117 1HE LYS 14 2HE LYS 14 -2.713 -2.333 -20.595 118 2HE LYS 14 1HE LYS 14 -1.992 -1.505 -19.199 119 1HZ LYS 14 1HZ LYS 14 -0.078 -3.066 -19.426 120 2HZ LYS 14 2HZ LYS 14 -0.239 -1.973 -20.717 121 3HZ LYS 14 3HZ LYS 14 -0.735 -3.588 -20.901 122 H LYS 15 H LYS 15 -0.728 -1.327 -15.831 123 HA LYS 15 HA LYS 15 -0.207 -1.666 -12.941 124 1HB LYS 15 2HB LYS 15 1.814 -1.009 -15.029 125 2HB LYS 15 1HB LYS 15 1.903 -0.090 -13.526 126 1HG LYS 15 2HG LYS 15 1.756 -2.361 -12.326 127 2HG LYS 15 1HG LYS 15 2.104 -3.081 -13.899 128 1HD LYS 15 2HD LYS 15 4.271 -2.343 -13.909 129 2HD LYS 15 1HD LYS 15 3.871 -0.842 -13.073 130 1HE LYS 15 2HE LYS 15 3.369 -3.052 -11.294 131 2HE LYS 15 1HE LYS 15 5.021 -3.175 -11.935 132 1HZ LYS 15 1HZ LYS 15 5.020 -1.695 -10.053 133 2HZ LYS 15 2HZ LYS 15 3.766 -0.767 -10.724 134 3HZ LYS 15 3HZ LYS 15 5.297 -0.789 -11.459 135 HA PRO 16 HA PRO 16 -2.346 2.200 -13.022 136 1HB PRO 16 2HB PRO 16 -1.811 2.991 -10.458 137 2HB PRO 16 1HB PRO 16 -2.981 1.715 -10.849 138 1HG PRO 16 2HG PRO 16 -0.181 1.480 -9.873 139 2HG PRO 16 1HG PRO 16 -1.605 0.514 -9.460 140 1HD PRO 16 2HD PRO 16 0.330 -0.314 -11.199 141 2HD PRO 16 1HD PRO 16 -1.360 -0.860 -11.271 142 H ILE 17 H ILE 17 -1.839 4.509 -12.935 143 HA ILE 17 HA ILE 17 0.920 5.352 -12.458 144 HB ILE 17 HB ILE 17 1.009 6.256 -14.844 145 1HG1 ILE 17 2HG1 ILE 17 -1.125 4.175 -15.335 146 2HG1 ILE 17 1HG1 ILE 17 -1.501 5.889 -15.150 147 1HG2 ILE 17 1HG2 ILE 17 0.840 3.246 -14.771 148 2HG2 ILE 17 2HG2 ILE 17 2.119 4.111 -13.920 149 3HG2 ILE 17 3HG2 ILE 17 1.969 4.260 -15.669 150 1HD1 ILE 17 1HD1 ILE 17 -0.269 6.484 -17.083 151 2HD1 ILE 17 2HD1 ILE 17 -1.139 5.022 -17.550 152 3HD1 ILE 17 3HD1 ILE 17 0.572 4.934 -17.126 153 H TYR 18 H TYR 18 -0.641 6.487 -10.865 154 HA TYR 18 HA TYR 18 -2.259 8.657 -12.053 155 1HB TYR 18 2HB TYR 18 -2.748 7.130 -9.993 156 2HB TYR 18 1HB TYR 18 -1.655 8.213 -9.131 157 HD1 TYR 18 HD1 TYR 18 -2.588 10.069 -8.077 158 HD2 TYR 18 HD2 TYR 18 -4.543 8.417 -11.527 159 HE1 TYR 18 HE1 TYR 18 -4.420 11.724 -7.833 160 HE2 TYR 18 HE2 TYR 18 -6.370 10.071 -11.288 161 HH TYR 18 HH TYR 18 -7.047 11.689 -8.632 162 H LYS 19 H LYS 19 -0.603 10.021 -12.983 163 HA LYS 19 HA LYS 19 0.742 11.757 -11.000 164 1HB LYS 19 2HB LYS 19 2.028 9.656 -12.606 165 2HB LYS 19 1HB LYS 19 2.797 11.234 -12.779 166 1HG LYS 19 2HG LYS 19 2.967 11.426 -10.327 167 2HG LYS 19 1HG LYS 19 2.193 9.851 -10.147 168 1HD LYS 19 2HD LYS 19 4.046 8.824 -11.457 169 2HD LYS 19 1HD LYS 19 4.839 10.400 -11.523 170 1HE LYS 19 2HE LYS 19 4.184 9.961 -8.797 171 2HE LYS 19 1HE LYS 19 4.919 8.460 -9.395 172 1HZ LYS 19 1HZ LYS 19 6.719 9.839 -8.833 173 2HZ LYS 19 2HZ LYS 19 6.008 11.212 -9.536 174 3HZ LYS 19 3HZ LYS 19 6.597 9.958 -10.520 175 H LYS 20 H LYS 20 -1.270 11.743 -13.387 176 HA LYS 20 HA LYS 20 -0.158 13.276 -15.534 177 1HB LYS 20 2HB LYS 20 -2.444 11.985 -15.109 178 2HB LYS 20 1HB LYS 20 -2.995 13.585 -14.612 179 1HG LYS 20 2HG LYS 20 -1.471 13.809 -17.048 180 2HG LYS 20 1HG LYS 20 -2.743 12.603 -17.254 181 1HD LYS 20 2HD LYS 20 -4.039 14.621 -15.877 182 2HD LYS 20 1HD LYS 20 -2.965 15.513 -16.956 183 1HE LYS 20 2HE LYS 20 -4.839 13.294 -17.859 184 2HE LYS 20 1HE LYS 20 -5.163 15.031 -18.038 185 1HZ LYS 20 1HZ LYS 20 -2.673 13.745 -19.007 186 2HZ LYS 20 2HZ LYS 20 -3.239 15.309 -19.354 187 3HZ LYS 20 3HZ LYS 20 -4.039 13.952 -19.992 188 H ALA 21 H ALA 21 -0.744 15.604 -15.970 189 HA ALA 21 HA ALA 21 -1.300 17.315 -13.629 190 1HB ALA 21 1HB ALA 21 0.942 17.326 -13.159 191 2HB ALA 21 2HB ALA 21 1.014 18.482 -14.490 192 3HB ALA 21 3HB ALA 21 1.380 16.781 -14.778 193 HA PRO 22 HA PRO 22 -2.672 18.923 -17.742 194 1HB PRO 22 2HB PRO 22 -5.240 19.462 -16.967 195 2HB PRO 22 1HB PRO 22 -4.726 17.874 -17.570 196 1HG PRO 22 2HG PRO 22 -5.190 18.776 -14.777 197 2HG PRO 22 1HG PRO 22 -5.534 17.213 -15.531 198 1HD PRO 22 2HD PRO 22 -3.380 17.691 -13.908 199 2HD PRO 22 1HD PRO 22 -3.426 16.424 -15.153 200 H THR 23 H THR 23 -2.317 20.093 -14.583 201 HA THR 23 HA THR 23 -2.603 22.912 -15.560 202 HB THR 23 HB THR 23 -3.322 23.179 -12.997 203 HG1 THR 23 HG1 THR 23 -3.477 21.260 -12.166 204 1HG2 THR 23 1HG2 THR 23 -5.704 22.271 -14.123 205 2HG2 THR 23 2HG2 THR 23 -4.731 22.757 -15.512 206 3HG2 THR 23 3HG2 THR 23 -5.066 23.911 -14.221 207 H ASN 24 H ASN 24 -0.891 24.233 -14.961 208 HA ASN 24 HA ASN 24 0.874 23.496 -12.717 209 1HB ASN 24 2HB ASN 24 1.420 22.184 -14.910 210 2HB ASN 24 1HB ASN 24 2.075 23.723 -15.472 211 1HD2 ASN 24 1HD2 ASN 24 3.261 20.973 -14.354 212 2HD2 ASN 24 2HD2 ASN 24 4.493 21.520 -13.323 213 H GLU 25 H GLU 25 0.623 25.529 -15.662 214 HA GLU 25 HA GLU 25 1.552 27.851 -14.001 215 1HB GLU 25 2HB GLU 25 2.798 26.684 -16.135 216 2HB GLU 25 1HB GLU 25 1.841 27.925 -16.947 217 1HG GLU 25 2HG GLU 25 2.994 29.656 -15.966 218 2HG GLU 25 1HG GLU 25 3.309 28.746 -14.488 219 H PHE 26 H PHE 26 0.071 29.491 -13.850 220 HA PHE 26 HA PHE 26 -2.296 29.436 -15.673 221 1HB PHE 26 2HB PHE 26 -2.119 29.464 -12.973 222 2HB PHE 26 1HB PHE 26 -2.144 31.201 -13.280 223 HD1 PHE 26 HD1 PHE 26 -3.988 32.089 -14.882 224 HD2 PHE 26 HD2 PHE 26 -4.123 28.238 -12.981 225 HE1 PHE 26 HE1 PHE 26 -6.438 31.989 -15.260 226 HE2 PHE 26 HE2 PHE 26 -6.572 28.137 -13.358 227 HZ PHE 26 HZ PHE 26 -7.731 30.013 -14.498 228 H TYR 27 H TYR 27 -1.824 30.734 -17.447 229 HA TYR 27 HA TYR 27 -0.968 33.543 -16.868 230 1HB TYR 27 2HB TYR 27 0.621 31.532 -17.962 231 2HB TYR 27 1HB TYR 27 0.060 32.433 -19.371 232 HD1 TYR 27 HD1 TYR 27 0.446 34.905 -19.512 233 HD2 TYR 27 HD2 TYR 27 2.177 32.488 -16.409 234 HE1 TYR 27 HE1 TYR 27 2.060 36.719 -19.000 235 HE2 TYR 27 HE2 TYR 27 3.791 34.302 -15.896 236 HH TYR 27 HH TYR 27 4.185 36.554 -16.208 237 H ALA 28 HN ALA 28 -2.464 34.913 -17.744 238 HA ALA 28 HA ALA 28 -4.408 33.919 -19.726 239 1HB ALA 28 1HB ALA 28 -4.947 36.567 -19.309 240 2HB ALA 28 2HB ALA 28 -4.060 36.173 -17.837 241 3HB ALA 28 3HB ALA 28 -5.519 35.275 -18.254 242 1H ARG 1 1HT ARG 1 4.694 -18.090 2.642 243 2H ARG 1 2HT ARG 1 5.101 -17.935 0.999 244 3H ARG 1 3HT ARG 1 5.971 -17.074 2.177 245 HA ARG 1 HA ARG 1 7.379 -18.855 1.646 246 1HB ARG 1 2HB ARG 1 5.789 -18.833 4.125 247 2HB ARG 1 1HB ARG 1 6.608 -20.366 3.824 248 1HG ARG 1 2HG ARG 1 8.749 -19.305 3.704 249 2HG ARG 1 1HG ARG 1 8.024 -17.698 3.642 250 1HD ARG 1 2HD ARG 1 7.528 -17.685 5.919 251 2HD ARG 1 1HD ARG 1 7.441 -19.456 6.012 252 HE ARG 1 HE ARG 1 10.039 -18.043 5.534 253 1HH1 ARG 1 1HH2 ARG 1 8.356 -19.251 8.099 254 2HH1 ARG 1 2HH2 ARG 1 9.509 -20.463 8.549 255 1HH2 ARG 1 1HH1 ARG 1 11.410 -20.099 5.672 256 2HH2 ARG 1 2HH1 ARG 1 11.238 -20.943 7.175 257 H MET 2 H MET 2 4.440 -20.517 2.840 258 HA MET 2 HA MET 2 4.873 -22.972 1.516 259 1HB MET 2 2HB MET 2 2.644 -21.477 2.768 260 2HB MET 2 1HB MET 2 2.151 -22.753 1.655 261 1HG MET 2 2HG MET 2 2.362 -23.990 3.599 262 2HG MET 2 1HG MET 2 4.002 -24.137 2.970 263 1HE MET 2 1HE MET 2 3.820 -24.855 5.735 264 2HE MET 2 2HE MET 2 2.328 -23.972 6.048 265 3HE MET 2 3HE MET 2 3.764 -23.632 7.011 266 H LYS 3 H LYS 3 3.623 -23.833 -0.378 267 HA LYS 3 HA LYS 3 2.771 -21.775 -2.359 268 1HB LYS 3 2HB LYS 3 5.303 -23.030 -2.284 269 2HB LYS 3 1HB LYS 3 4.418 -23.811 -3.594 270 1HG LYS 3 2HG LYS 3 3.750 -21.329 -4.208 271 2HG LYS 3 1HG LYS 3 5.206 -20.934 -3.295 272 1HD LYS 3 2HD LYS 3 6.069 -23.026 -4.860 273 2HD LYS 3 1HD LYS 3 4.938 -22.205 -5.936 274 1HE LYS 3 2HE LYS 3 7.137 -20.763 -4.416 275 2HE LYS 3 1HE LYS 3 7.291 -21.307 -6.098 276 1HZ LYS 3 1HZ LYS 3 5.199 -19.495 -5.016 277 2HZ LYS 3 2HZ LYS 3 5.230 -20.095 -6.605 278 3HZ LYS 3 3HZ LYS 3 6.460 -19.056 -6.062 279 H LYS 4 H LYS 4 1.560 -22.772 -4.169 280 HA LYS 4 HA LYS 4 0.670 -25.583 -3.715 281 1HB LYS 4 2HB LYS 4 -0.872 -23.042 -3.461 282 2HB LYS 4 1HB LYS 4 -1.698 -24.406 -4.217 283 1HG LYS 4 2HG LYS 4 -0.488 -25.605 -2.059 284 2HG LYS 4 1HG LYS 4 -0.903 -24.020 -1.408 285 1HD LYS 4 2HD LYS 4 -3.121 -24.476 -1.422 286 2HD LYS 4 1HD LYS 4 -3.046 -25.196 -3.030 287 1HE LYS 4 2HE LYS 4 -1.677 -27.024 -1.411 288 2HE LYS 4 1HE LYS 4 -3.075 -26.526 -0.438 289 1HZ LYS 4 1HZ LYS 4 -3.685 -28.309 -1.954 290 2HZ LYS 4 2HZ LYS 4 -3.157 -27.390 -3.282 291 3HZ LYS 4 3HZ LYS 4 -4.494 -26.876 -2.369 292 H LYS 5 H LYS 5 -0.820 -23.086 -5.733 293 HA LYS 5 HA LYS 5 -0.849 -24.674 -8.101 294 1HB LYS 5 2HB LYS 5 -2.138 -22.527 -7.350 295 2HB LYS 5 1HB LYS 5 -0.777 -21.661 -8.065 296 1HG LYS 5 2HG LYS 5 -1.145 -22.908 -10.193 297 2HG LYS 5 1HG LYS 5 -2.566 -23.664 -9.472 298 1HD LYS 5 2HD LYS 5 -3.290 -21.191 -8.971 299 2HD LYS 5 1HD LYS 5 -2.144 -20.794 -10.252 300 1HE LYS 5 2HE LYS 5 -3.357 -22.029 -11.878 301 2HE LYS 5 1HE LYS 5 -4.281 -22.903 -10.640 302 1HZ LYS 5 1HZ LYS 5 -5.717 -21.212 -11.309 303 2HZ LYS 5 2HZ LYS 5 -4.476 -20.057 -11.415 304 3HZ LYS 5 3HZ LYS 5 -5.016 -20.591 -9.895 305 H ASP 6 H ASP 6 1.533 -22.384 -6.832 306 HA ASP 6 HA ASP 6 3.716 -21.866 -7.576 307 1HB ASP 6 2HB ASP 6 3.919 -24.287 -7.241 308 2HB ASP 6 1HB ASP 6 3.256 -24.584 -8.849 309 H GLU 7 H GLU 7 2.278 -20.260 -8.977 310 HA GLU 7 HA GLU 7 2.840 -20.809 -11.875 311 1HB GLU 7 2HB GLU 7 0.412 -20.643 -10.799 312 2HB GLU 7 1HB GLU 7 0.717 -18.911 -10.938 313 1HG GLU 7 2HG GLU 7 1.190 -19.164 -13.335 314 2HG GLU 7 1HG GLU 7 0.938 -20.906 -13.211 315 H GLY 8 H GLY 8 3.631 -19.012 -13.099 316 1HA GLY 8 2HA GLY 8 4.780 -16.827 -11.423 317 2HA GLY 8 1HA GLY 8 5.411 -17.332 -12.991 318 H SER 9 H SER 9 1.985 -16.862 -12.325 319 HA SER 9 HA SER 9 1.904 -14.183 -13.509 320 1HB SER 9 2HB SER 9 0.997 -16.647 -15.030 321 2HB SER 9 1HB SER 9 0.631 -14.995 -15.519 322 HG SER 9 HG SER 9 2.536 -15.920 -16.509 323 H TYR 10 H TYR 10 -0.414 -13.441 -13.698 324 HA TYR 10 HA TYR 10 -2.298 -15.074 -12.038 325 1HB TYR 10 2HB TYR 10 -1.226 -12.301 -11.658 326 2HB TYR 10 1HB TYR 10 -2.883 -12.633 -11.152 327 HD1 TYR 10 HD1 TYR 10 0.450 -12.635 -10.078 328 HD2 TYR 10 HD2 TYR 10 -3.145 -14.978 -9.844 329 HE1 TYR 10 HE1 TYR 10 1.296 -13.726 -8.016 330 HE2 TYR 10 HE2 TYR 10 -2.299 -16.069 -7.784 331 HH TYR 10 HH TYR 10 -0.695 -16.080 -6.234 332 H ASP 11 H ASP 11 -2.798 -11.758 -13.108 333 HA ASP 11 HA ASP 11 -4.222 -12.440 -15.554 334 1HB ASP 11 2HB ASP 11 -5.660 -13.317 -13.650 335 2HB ASP 11 1HB ASP 11 -5.868 -11.641 -13.137 336 H LEU 12 H LEU 12 -5.058 -10.510 -16.602 337 HA LEU 12 HA LEU 12 -3.606 -8.090 -15.970 338 1HB LEU 12 2HB LEU 12 -4.761 -9.254 -18.170 339 2HB LEU 12 1HB LEU 12 -5.911 -7.966 -17.808 340 HG LEU 12 HG LEU 12 -3.958 -6.369 -17.698 341 1HD1 LEU 12 1HD1 LEU 12 -2.024 -7.541 -19.219 342 2HD1 LEU 12 2HD1 LEU 12 -2.562 -8.919 -18.260 343 3HD1 LEU 12 3HD1 LEU 12 -1.970 -7.465 -17.459 344 1HD2 LEU 12 1HD2 LEU 12 -4.695 -7.874 -20.208 345 2HD2 LEU 12 2HD2 LEU 12 -3.557 -6.526 -20.265 346 3HD2 LEU 12 3HD2 LEU 12 -5.206 -6.264 -19.699 347 H GLY 13 H GLY 13 -4.825 -8.314 -13.642 348 1HA GLY 13 2HA GLY 13 -7.492 -7.056 -13.689 349 2HA GLY 13 1HA GLY 13 -6.636 -7.611 -12.250 350 H LYS 14 H LYS 14 -4.167 -6.138 -13.295 351 HA LYS 14 HA LYS 14 -4.615 -3.670 -11.842 352 1HB LYS 14 2HB LYS 14 -2.484 -5.259 -12.783 353 2HB LYS 14 1HB LYS 14 -2.285 -3.692 -13.568 354 1HG LYS 14 2HG LYS 14 -1.124 -3.699 -11.407 355 2HG LYS 14 1HG LYS 14 -2.487 -2.580 -11.357 356 1HD LYS 14 2HD LYS 14 -3.661 -4.938 -10.567 357 2HD LYS 14 1HD LYS 14 -2.054 -5.073 -9.852 358 1HE LYS 14 2HE LYS 14 -2.543 -3.507 -8.285 359 2HE LYS 14 1HE LYS 14 -3.163 -2.387 -9.515 360 1HZ LYS 14 1HZ LYS 14 -5.161 -3.849 -9.652 361 2HZ LYS 14 2HZ LYS 14 -4.996 -3.037 -8.170 362 3HZ LYS 14 3HZ LYS 14 -4.593 -4.682 -8.289 363 H LYS 15 H LYS 15 -4.279 -1.492 -12.828 364 HA LYS 15 HA LYS 15 -4.707 -1.246 -15.742 365 1HB LYS 15 2HB LYS 15 -6.772 -0.883 -13.624 366 2HB LYS 15 1HB LYS 15 -6.756 0.309 -14.924 367 1HG LYS 15 2HG LYS 15 -6.678 -1.697 -16.533 368 2HG LYS 15 1HG LYS 15 -7.125 -2.680 -15.138 369 1HD LYS 15 2HD LYS 15 -9.248 -1.833 -15.050 370 2HD LYS 15 1HD LYS 15 -8.738 -0.226 -15.566 371 1HE LYS 15 2HE LYS 15 -8.283 -2.079 -17.726 372 2HE LYS 15 1HE LYS 15 -9.963 -2.223 -17.169 373 1HZ LYS 15 1HZ LYS 15 -9.807 -0.412 -18.729 374 2HZ LYS 15 2HZ LYS 15 -8.536 0.294 -17.849 375 3HZ LYS 15 3HZ LYS 15 -10.096 0.220 -17.182 376 HA PRO 16 HA PRO 16 -2.380 2.402 -14.859 377 1HB PRO 16 2HB PRO 16 -2.764 3.698 -17.235 378 2HB PRO 16 1HB PRO 16 -1.681 2.303 -17.061 379 1HG PRO 16 2HG PRO 16 -4.445 2.428 -18.152 380 2HG PRO 16 1HG PRO 16 -3.059 1.473 -18.696 381 1HD PRO 16 2HD PRO 16 -5.111 0.454 -17.208 382 2HD PRO 16 1HD PRO 16 -3.460 -0.203 -17.194 383 H ILE 17 H ILE 17 -2.763 4.691 -14.458 384 HA ILE 17 HA ILE 17 -5.447 5.779 -14.868 385 HB ILE 17 HB ILE 17 -5.565 6.223 -12.355 386 1HG1 ILE 17 2HG1 ILE 17 -3.579 3.952 -12.232 387 2HG1 ILE 17 1HG1 ILE 17 -3.093 5.641 -12.076 388 1HG2 ILE 17 1HG2 ILE 17 -5.571 3.279 -13.003 389 2HG2 ILE 17 2HG2 ILE 17 -6.764 4.369 -13.709 390 3HG2 ILE 17 3HG2 ILE 17 -6.674 4.175 -11.958 391 1HD1 ILE 17 1HD1 ILE 17 -4.360 5.938 -10.094 392 2HD1 ILE 17 2HD1 ILE 17 -3.585 4.367 -9.893 393 3HD1 ILE 17 3HD1 ILE 17 -5.282 4.459 -10.365 394 H TYR 18 H TYR 18 -3.767 7.109 -16.175 395 HA TYR 18 HA TYR 18 -2.100 8.929 -14.545 396 1HB TYR 18 2HB TYR 18 -1.600 7.791 -16.843 397 2HB TYR 18 1HB TYR 18 -2.601 9.076 -17.517 398 HD1 TYR 18 HD1 TYR 18 -1.547 11.051 -18.157 399 HD2 TYR 18 HD2 TYR 18 0.211 8.653 -15.056 400 HE1 TYR 18 HE1 TYR 18 0.375 12.617 -18.032 401 HE2 TYR 18 HE2 TYR 18 2.128 10.217 -14.927 402 HH TYR 18 HH TYR 18 2.979 12.268 -17.191 403 H LYS 19 H LYS 19 -3.706 10.186 -13.425 404 HA LYS 19 HA LYS 19 -4.891 12.339 -15.070 405 1HB LYS 19 2HB LYS 19 -6.341 10.044 -13.938 406 2HB LYS 19 1HB LYS 19 -7.037 11.602 -13.486 407 1HG LYS 19 2HG LYS 19 -7.102 12.269 -15.858 408 2HG LYS 19 1HG LYS 19 -6.400 10.717 -16.316 409 1HD LYS 19 2HD LYS 19 -8.353 9.565 -15.285 410 2HD LYS 19 1HD LYS 19 -9.068 11.140 -14.937 411 1HE LYS 19 2HE LYS 19 -8.327 11.196 -17.677 412 2HE LYS 19 1HE LYS 19 -9.162 9.654 -17.404 413 1HZ LYS 19 1HZ LYS 19 -10.866 11.218 -17.738 414 2HZ LYS 19 2HZ LYS 19 -10.111 12.387 -16.764 415 3HZ LYS 19 3HZ LYS 19 -10.803 11.005 -16.058 416 H LYS 20 H LYS 20 -2.974 11.750 -12.677 417 HA LYS 20 HA LYS 20 -4.085 12.902 -10.304 418 1HB LYS 20 2HB LYS 20 -1.852 11.589 -10.909 419 2HB LYS 20 1HB LYS 20 -1.204 13.222 -11.069 420 1HG LYS 20 2HG LYS 20 -2.807 13.055 -8.680 421 2HG LYS 20 1HG LYS 20 -1.606 11.762 -8.678 422 1HD LYS 20 2HD LYS 20 -0.156 13.931 -9.594 423 2HD LYS 20 1HD LYS 20 -1.227 14.659 -8.396 424 1HE LYS 20 2HE LYS 20 0.495 12.206 -7.883 425 2HE LYS 20 1HE LYS 20 0.897 13.854 -7.361 426 1HZ LYS 20 1HZ LYS 20 -1.693 12.551 -6.738 427 2HZ LYS 20 2HZ LYS 20 -1.062 13.983 -6.074 428 3HZ LYS 20 3HZ LYS 20 -0.361 12.484 -5.690 429 H ALA 21 H ALA 21 -3.403 15.065 -9.410 430 HA ALA 21 HA ALA 21 -2.667 17.156 -11.357 431 1HB ALA 21 1HB ALA 21 -4.886 17.388 -11.881 432 2HB ALA 21 2HB ALA 21 -4.951 18.269 -10.355 433 3HB ALA 21 3HB ALA 21 -5.415 16.568 -10.413 434 HA PRO 22 HA PRO 22 -1.377 17.866 -6.975 435 1HB PRO 22 2HB PRO 22 1.243 18.392 -7.556 436 2HB PRO 22 1HB PRO 22 0.625 16.750 -7.288 437 1HG PRO 22 2HG PRO 22 1.247 18.145 -9.838 438 2HG PRO 22 1HG PRO 22 1.478 16.448 -9.392 439 1HD PRO 22 2HD PRO 22 -0.583 17.356 -10.952 440 2HD PRO 22 1HD PRO 22 -0.650 15.872 -9.978 441 H THR 23 H THR 23 -1.547 19.639 -9.855 442 HA THR 23 HA THR 23 -1.154 22.197 -8.342 443 HB THR 23 HB THR 23 -0.320 22.906 -10.784 444 HG1 THR 23 HG1 THR 23 -0.227 21.178 -11.966 445 1HG2 THR 23 1HG2 THR 23 1.965 21.661 -9.788 446 2HG2 THR 23 2HG2 THR 23 0.967 21.929 -8.359 447 3HG2 THR 23 3HG2 THR 23 1.411 23.288 -9.391 448 H ASN 24 H ASN 24 -2.770 23.707 -8.724 449 HA ASN 24 HA ASN 24 -4.483 23.516 -11.116 450 1HB ASN 24 2HB ASN 24 -5.183 21.843 -9.233 451 2HB ASN 24 1HB ASN 24 -5.781 23.283 -8.407 452 1HD2 ASN 24 1HD2 ASN 24 -7.058 20.868 -10.073 453 2HD2 ASN 24 2HD2 ASN 24 -8.218 21.674 -11.015 454 H GLU 25 H GLU 25 -4.242 24.928 -7.828 455 HA GLU 25 HA GLU 25 -4.985 27.575 -9.034 456 1HB GLU 25 2HB GLU 25 -6.372 26.095 -7.202 457 2HB GLU 25 1HB GLU 25 -5.386 27.100 -6.139 458 1HG GLU 25 2HG GLU 25 -6.411 29.050 -6.799 459 2HG GLU 25 1HG GLU 25 -6.712 28.461 -8.434 460 H PHE 26 H PHE 26 -3.419 29.125 -8.823 461 HA PHE 26 HA PHE 26 -1.132 28.585 -6.976 462 1HB PHE 26 2HB PHE 26 -1.200 29.141 -9.625 463 2HB PHE 26 1HB PHE 26 -1.097 30.782 -8.985 464 HD1 PHE 26 HD1 PHE 26 0.727 31.238 -7.189 465 HD2 PHE 26 HD2 PHE 26 0.738 27.821 -9.796 466 HE1 PHE 26 HE1 PHE 26 3.151 30.926 -6.768 467 HE2 PHE 26 HE2 PHE 26 3.164 27.509 -9.375 468 HZ PHE 26 HZ PHE 26 4.370 29.061 -7.859 469 H TYR 27 H TYR 27 -1.602 29.546 -5.001 470 HA TYR 27 HA TYR 27 -2.294 32.458 -5.050 471 1HB TYR 27 2HB TYR 27 -4.025 30.369 -4.410 472 2HB TYR 27 1HB TYR 27 -3.472 30.949 -2.838 473 HD1 TYR 27 HD1 TYR 27 -3.738 33.367 -2.232 474 HD2 TYR 27 HD2 TYR 27 -5.466 31.693 -5.793 475 HE1 TYR 27 HE1 TYR 27 -5.236 35.336 -2.430 476 HE2 TYR 27 HE2 TYR 27 -6.964 33.662 -5.991 477 HH TYR 27 HH TYR 27 -7.252 35.832 -5.262 478 H ALA 28 HN ALA 28 -0.764 33.545 -3.882 479 HA ALA 28 HA ALA 28 1.046 32.075 -2.077 480 1HB ALA 28 1HB ALA 28 1.737 34.717 -1.954 481 2HB ALA 28 2HB ALA 28 0.889 34.667 -3.500 482 3HB ALA 28 3HB ALA 28 2.281 33.621 -3.225 Start of MODEL 8 1 1H ARG 1 1HT ARG 1 26.394 -13.678 -2.556 2 2H ARG 1 2HT ARG 1 24.843 -13.470 -1.893 3 3H ARG 1 3HT ARG 1 25.664 -12.147 -2.572 4 HA ARG 1 HA ARG 1 25.419 -12.963 -4.762 5 1HB ARG 1 2HB ARG 1 24.623 -15.284 -5.097 6 2HB ARG 1 1HB ARG 1 26.075 -15.255 -4.096 7 1HG ARG 1 2HG ARG 1 24.786 -15.538 -2.081 8 2HG ARG 1 1HG ARG 1 23.271 -15.306 -2.954 9 1HD ARG 1 2HD ARG 1 23.475 -17.400 -4.083 10 2HD ARG 1 1HD ARG 1 25.181 -17.564 -3.621 11 HE ARG 1 HE ARG 1 23.221 -17.350 -1.410 12 1HH1 ARG 1 1HH1 ARG 1 23.818 -19.801 -3.521 13 2HH1 ARG 1 2HH1 ARG 1 24.520 -20.896 -2.377 14 1HH2 ARG 1 1HH2 ARG 1 24.764 -18.526 0.143 15 2HH2 ARG 1 2HH2 ARG 1 25.054 -20.174 -0.303 16 H MET 2 H MET 2 23.023 -14.221 -5.559 17 HA MET 2 HA MET 2 20.933 -12.590 -4.150 18 1HB MET 2 2HB MET 2 19.992 -12.202 -6.407 19 2HB MET 2 1HB MET 2 21.662 -11.641 -6.319 20 1HG MET 2 2HG MET 2 22.475 -13.491 -7.537 21 2HG MET 2 1HG MET 2 21.011 -14.434 -7.252 22 1HE MET 2 1HE MET 2 18.840 -14.232 -9.548 23 2HE MET 2 2HE MET 2 18.305 -12.705 -8.852 24 3HE MET 2 3HE MET 2 18.957 -13.961 -7.804 25 H LYS 3 H LYS 3 18.662 -13.477 -5.156 26 HA LYS 3 HA LYS 3 18.727 -16.458 -5.278 27 1HB LYS 3 2HB LYS 3 17.030 -16.536 -3.487 28 2HB LYS 3 1HB LYS 3 18.490 -15.725 -2.916 29 1HG LYS 3 2HG LYS 3 17.307 -13.543 -3.712 30 2HG LYS 3 1HG LYS 3 15.836 -14.516 -3.663 31 1HD LYS 3 2HD LYS 3 17.385 -14.969 -1.270 32 2HD LYS 3 1HD LYS 3 17.113 -13.239 -1.489 33 1HE LYS 3 2HE LYS 3 14.634 -14.028 -2.041 34 2HE LYS 3 1HE LYS 3 15.110 -15.427 -1.056 35 1HZ LYS 3 1HZ LYS 3 15.626 -12.629 -0.224 36 2HZ LYS 3 2HZ LYS 3 15.732 -14.036 0.723 37 3HZ LYS 3 3HZ LYS 3 14.216 -13.462 0.217 38 H LYS 4 H LYS 4 15.983 -16.887 -5.202 39 HA LYS 4 HA LYS 4 14.808 -15.081 -7.270 40 1HB LYS 4 2HB LYS 4 16.099 -17.272 -8.040 41 2HB LYS 4 1HB LYS 4 14.593 -18.057 -7.567 42 1HG LYS 4 2HG LYS 4 13.765 -17.474 -9.581 43 2HG LYS 4 1HG LYS 4 13.790 -15.801 -9.022 44 1HD LYS 4 2HD LYS 4 16.114 -15.568 -9.834 45 2HD LYS 4 1HD LYS 4 16.073 -17.233 -10.412 46 1HE LYS 4 2HE LYS 4 13.773 -15.719 -11.381 47 2HE LYS 4 1HE LYS 4 15.309 -14.986 -11.884 48 1HZ LYS 4 1HZ LYS 4 14.440 -16.876 -13.314 49 2HZ LYS 4 2HZ LYS 4 14.841 -17.906 -12.024 50 3HZ LYS 4 3HZ LYS 4 16.051 -16.996 -12.797 51 H LYS 5 H LYS 5 12.519 -15.014 -7.184 52 HA LYS 5 HA LYS 5 11.305 -16.373 -4.809 53 1HB LYS 5 2HB LYS 5 11.122 -13.747 -6.129 54 2HB LYS 5 1HB LYS 5 9.556 -14.426 -5.682 55 1HG LYS 5 2HG LYS 5 10.205 -14.638 -3.383 56 2HG LYS 5 1HG LYS 5 11.892 -14.290 -3.763 57 1HD LYS 5 2HD LYS 5 11.049 -12.250 -2.901 58 2HD LYS 5 1HD LYS 5 11.043 -12.026 -4.650 59 1HE LYS 5 2HE LYS 5 8.726 -12.129 -4.794 60 2HE LYS 5 1HE LYS 5 8.583 -13.162 -3.357 61 1HZ LYS 5 1HZ LYS 5 9.221 -10.270 -3.465 62 2HZ LYS 5 2HZ LYS 5 9.522 -11.214 -2.085 63 3HZ LYS 5 3HZ LYS 5 7.934 -11.023 -2.658 64 H ASP 6 H ASP 6 8.670 -16.331 -5.407 65 HA ASP 6 HA ASP 6 8.476 -18.201 -7.721 66 1HB ASP 6 2HB ASP 6 6.359 -18.833 -6.604 67 2HB ASP 6 1HB ASP 6 7.709 -18.894 -5.471 68 H GLU 7 H GLU 7 8.714 -15.425 -8.369 69 HA GLU 7 HA GLU 7 6.139 -14.163 -8.741 70 1HB GLU 7 2HB GLU 7 8.571 -13.231 -8.714 71 2HB GLU 7 1HB GLU 7 8.608 -13.704 -10.413 72 1HG GLU 7 2HG GLU 7 6.527 -12.364 -10.783 73 2HG GLU 7 1HG GLU 7 6.635 -11.806 -9.113 74 H GLY 8 H GLY 8 4.667 -15.449 -9.894 75 1HA GLY 8 2HA GLY 8 5.568 -16.513 -12.534 76 2HA GLY 8 1HA GLY 8 4.164 -17.099 -11.642 77 H SER 9 H SER 9 2.460 -16.620 -12.984 78 HA SER 9 HA SER 9 1.712 -13.821 -13.342 79 1HB SER 9 2HB SER 9 3.011 -15.439 -15.493 80 2HB SER 9 1HB SER 9 1.695 -14.368 -15.964 81 HG SER 9 HG SER 9 3.744 -13.328 -16.011 82 H TYR 10 H TYR 10 -0.499 -13.827 -13.255 83 HA TYR 10 HA TYR 10 -2.073 -15.862 -14.685 84 1HB TYR 10 2HB TYR 10 -3.160 -16.603 -12.537 85 2HB TYR 10 1HB TYR 10 -1.456 -17.043 -12.646 86 HD1 TYR 10 HD1 TYR 10 0.273 -15.577 -11.508 87 HD2 TYR 10 HD2 TYR 10 -3.947 -15.156 -10.820 88 HE1 TYR 10 HE1 TYR 10 0.739 -14.308 -9.428 89 HE2 TYR 10 HE2 TYR 10 -3.482 -13.886 -8.740 90 HH TYR 10 HH TYR 10 -0.707 -12.459 -8.041 91 H ASP 11 H ASP 11 -2.023 -13.178 -12.350 92 HA ASP 11 HA ASP 11 -4.462 -12.073 -13.685 93 1HB ASP 11 2HB ASP 11 -5.139 -13.273 -11.656 94 2HB ASP 11 1HB ASP 11 -3.938 -12.393 -10.711 95 H LEU 12 H LEU 12 -2.186 -10.992 -14.482 96 HA LEU 12 HA LEU 12 -2.196 -8.305 -13.389 97 1HB LEU 12 2HB LEU 12 -0.929 -9.508 -11.659 98 2HB LEU 12 1HB LEU 12 0.163 -10.145 -12.889 99 HG LEU 12 HG LEU 12 -0.230 -7.175 -12.628 100 1HD1 LEU 12 1HD1 LEU 12 1.576 -8.940 -10.952 101 2HD1 LEU 12 2HD1 LEU 12 0.331 -7.834 -10.373 102 3HD1 LEU 12 3HD1 LEU 12 1.797 -7.199 -11.120 103 1HD2 LEU 12 1HD2 LEU 12 1.239 -7.309 -14.340 104 2HD2 LEU 12 2HD2 LEU 12 1.479 -9.036 -14.077 105 3HD2 LEU 12 3HD2 LEU 12 2.432 -7.865 -13.166 106 H GLY 13 H GLY 13 -1.190 -6.867 -14.845 107 1HA GLY 13 2HA GLY 13 0.698 -7.767 -16.857 108 2HA GLY 13 1HA GLY 13 -0.911 -7.513 -17.532 109 H LYS 14 H LYS 14 -1.818 -5.306 -16.201 110 HA LYS 14 HA LYS 14 0.141 -3.207 -17.051 111 1HB LYS 14 2HB LYS 14 -2.796 -3.617 -17.183 112 2HB LYS 14 1HB LYS 14 -2.271 -1.965 -16.855 113 1HG LYS 14 2HG LYS 14 -2.155 -1.882 -19.146 114 2HG LYS 14 1HG LYS 14 -0.559 -2.570 -18.846 115 1HD LYS 14 2HD LYS 14 -1.455 -4.835 -19.154 116 2HD LYS 14 1HD LYS 14 -3.071 -4.175 -19.406 117 1HE LYS 14 2HE LYS 14 -2.423 -4.320 -21.622 118 2HE LYS 14 1HE LYS 14 -1.704 -2.738 -21.260 119 1HZ LYS 14 1HZ LYS 14 0.027 -4.079 -22.132 120 2HZ LYS 14 2HZ LYS 14 -0.387 -5.395 -21.140 121 3HZ LYS 14 3HZ LYS 14 0.291 -3.994 -20.458 122 H LYS 15 H LYS 15 0.094 -1.185 -15.721 123 HA LYS 15 HA LYS 15 -0.695 -1.686 -12.870 124 1HB LYS 15 2HB LYS 15 1.476 -0.504 -12.316 125 2HB LYS 15 1HB LYS 15 1.687 -2.065 -13.110 126 1HG LYS 15 2HG LYS 15 2.037 -0.980 -15.260 127 2HG LYS 15 1HG LYS 15 1.688 0.599 -14.556 128 1HD LYS 15 2HD LYS 15 3.892 0.789 -14.126 129 2HD LYS 15 1HD LYS 15 3.687 -0.479 -12.917 130 1HE LYS 15 2HE LYS 15 3.870 -2.063 -15.064 131 2HE LYS 15 1HE LYS 15 4.781 -0.677 -15.695 132 1HZ LYS 15 1HZ LYS 15 5.248 -2.052 -13.102 133 2HZ LYS 15 2HZ LYS 15 6.064 -0.655 -13.622 134 3HZ LYS 15 3HZ LYS 15 6.257 -2.119 -14.463 135 HA PRO 16 HA PRO 16 -2.457 2.330 -13.047 136 1HB PRO 16 2HB PRO 16 -2.085 3.191 -10.476 137 2HB PRO 16 1HB PRO 16 -3.273 1.948 -10.916 138 1HG PRO 16 2HG PRO 16 -0.567 1.641 -9.719 139 2HG PRO 16 1HG PRO 16 -2.054 0.738 -9.394 140 1HD PRO 16 2HD PRO 16 -0.019 -0.205 -10.955 141 2HD PRO 16 1HD PRO 16 -1.716 -0.702 -11.138 142 H ILE 17 H ILE 17 -1.879 4.642 -12.965 143 HA ILE 17 HA ILE 17 0.880 5.380 -12.331 144 HB ILE 17 HB ILE 17 1.143 6.204 -14.739 145 1HG1 ILE 17 2HG1 ILE 17 -1.036 4.177 -15.261 146 2HG1 ILE 17 1HG1 ILE 17 -1.347 5.913 -15.195 147 1HG2 ILE 17 1HG2 ILE 17 0.866 3.210 -14.587 148 2HG2 ILE 17 2HG2 ILE 17 2.100 4.047 -13.645 149 3HG2 ILE 17 3HG2 ILE 17 2.106 4.160 -15.405 150 1HD1 ILE 17 1HD1 ILE 17 0.532 6.154 -16.927 151 2HD1 ILE 17 2HD1 ILE 17 -0.977 5.440 -17.497 152 3HD1 ILE 17 3HD1 ILE 17 0.407 4.408 -17.141 153 H TYR 18 H TYR 18 -0.986 6.510 -10.934 154 HA TYR 18 HA TYR 18 -2.336 8.751 -12.239 155 1HB TYR 18 2HB TYR 18 -2.650 7.240 -9.956 156 2HB TYR 18 1HB TYR 18 -1.986 8.739 -9.303 157 HD1 TYR 18 HD1 TYR 18 -4.746 7.284 -11.306 158 HD2 TYR 18 HD2 TYR 18 -3.255 10.781 -9.308 159 HE1 TYR 18 HE1 TYR 18 -6.957 8.373 -11.568 160 HE2 TYR 18 HE2 TYR 18 -5.468 11.872 -9.566 161 HH TYR 18 HH TYR 18 -8.220 10.323 -10.181 162 H LYS 19 H LYS 19 -0.802 10.226 -13.069 163 HA LYS 19 HA LYS 19 0.519 11.984 -11.172 164 1HB LYS 19 2HB LYS 19 1.843 9.650 -11.627 165 2HB LYS 19 1HB LYS 19 2.514 10.648 -12.917 166 1HG LYS 19 2HG LYS 19 2.338 12.077 -10.370 167 2HG LYS 19 1HG LYS 19 3.362 10.645 -10.274 168 1HD LYS 19 2HD LYS 19 4.368 11.527 -12.524 169 2HD LYS 19 1HD LYS 19 3.669 13.068 -12.027 170 1HE LYS 19 2HE LYS 19 4.867 12.447 -9.712 171 2HE LYS 19 1HE LYS 19 5.928 11.537 -10.806 172 1HZ LYS 19 1HZ LYS 19 5.233 14.418 -10.934 173 2HZ LYS 19 2HZ LYS 19 5.960 13.589 -12.227 174 3HZ LYS 19 3HZ LYS 19 6.772 13.733 -10.742 175 H LYS 20 H LYS 20 -1.152 12.946 -12.931 176 HA LYS 20 HA LYS 20 0.065 13.484 -15.556 177 1HB LYS 20 2HB LYS 20 -2.426 13.133 -14.894 178 2HB LYS 20 1HB LYS 20 -2.363 14.808 -14.344 179 1HG LYS 20 2HG LYS 20 -2.408 15.605 -16.458 180 2HG LYS 20 1HG LYS 20 -1.172 14.465 -16.992 181 1HD LYS 20 2HD LYS 20 -2.802 12.725 -17.317 182 2HD LYS 20 1HD LYS 20 -4.060 13.680 -16.532 183 1HE LYS 20 2HE LYS 20 -3.899 15.369 -18.351 184 2HE LYS 20 1HE LYS 20 -2.684 14.357 -19.157 185 1HZ LYS 20 1HZ LYS 20 -5.387 13.414 -18.366 186 2HZ LYS 20 2HZ LYS 20 -4.229 12.551 -19.260 187 3HZ LYS 20 3HZ LYS 20 -4.979 13.919 -19.933 188 H ALA 21 H ALA 21 -0.087 15.966 -16.212 189 HA ALA 21 HA ALA 21 0.910 17.686 -13.977 190 1HB ALA 21 1HB ALA 21 2.588 16.427 -15.669 191 2HB ALA 21 2HB ALA 21 2.929 18.037 -15.035 192 3HB ALA 21 3HB ALA 21 2.231 17.852 -16.644 193 HA PRO 22 HA PRO 22 -2.059 19.697 -17.026 194 1HB PRO 22 2HB PRO 22 -4.189 19.992 -15.334 195 2HB PRO 22 1HB PRO 22 -3.957 18.556 -16.351 196 1HG PRO 22 2HG PRO 22 -3.409 18.930 -13.454 197 2HG PRO 22 1HG PRO 22 -4.033 17.515 -14.312 198 1HD PRO 22 2HD PRO 22 -1.439 17.773 -13.469 199 2HD PRO 22 1HD PRO 22 -1.946 16.750 -14.831 200 H THR 23 H THR 23 -3.643 21.735 -15.914 201 HA THR 23 HA THR 23 -1.571 23.428 -14.562 202 HB THR 23 HB THR 23 -2.795 25.288 -15.659 203 HG1 THR 23 HG1 THR 23 -4.309 23.300 -16.964 204 1HG2 THR 23 1HG2 THR 23 -1.415 23.123 -17.001 205 2HG2 THR 23 2HG2 THR 23 -1.326 24.857 -17.308 206 3HG2 THR 23 3HG2 THR 23 -2.578 23.888 -18.085 207 H ASN 24 H ASN 24 -2.874 25.366 -13.388 208 HA ASN 24 HA ASN 24 -4.556 24.043 -11.349 209 1HB ASN 24 2HB ASN 24 -2.584 25.837 -11.191 210 2HB ASN 24 1HB ASN 24 -3.922 26.970 -11.391 211 1HD2 ASN 24 1HD2 ASN 24 -3.015 27.393 -8.998 212 2HD2 ASN 24 2HD2 ASN 24 -3.820 26.541 -7.771 213 H GLU 25 H GLU 25 -6.489 23.699 -12.681 214 HA GLU 25 HA GLU 25 -8.264 26.054 -12.713 215 1HB GLU 25 2HB GLU 25 -6.775 25.131 -15.010 216 2HB GLU 25 1HB GLU 25 -8.503 24.933 -15.305 217 1HG GLU 25 2HG GLU 25 -8.506 27.131 -15.836 218 2HG GLU 25 1HG GLU 25 -8.362 27.425 -14.103 219 H PHE 26 H PHE 26 -10.507 25.413 -12.986 220 HA PHE 26 HA PHE 26 -11.086 22.709 -12.049 221 1HB PHE 26 2HB PHE 26 -12.657 25.166 -12.834 222 2HB PHE 26 1HB PHE 26 -13.476 23.659 -12.421 223 HD1 PHE 26 HD1 PHE 26 -12.496 22.485 -10.201 224 HD2 PHE 26 HD2 PHE 26 -12.278 26.681 -11.110 225 HE1 PHE 26 HE1 PHE 26 -12.216 22.994 -7.789 226 HE2 PHE 26 HE2 PHE 26 -11.997 27.189 -8.697 227 HZ PHE 26 HZ PHE 26 -11.966 25.345 -7.037 228 H TYR 27 H TYR 27 -11.851 24.537 -15.038 229 HA TYR 27 HA TYR 27 -12.228 21.899 -16.422 230 1HB TYR 27 2HB TYR 27 -13.783 24.424 -16.296 231 2HB TYR 27 1HB TYR 27 -13.663 23.683 -17.892 232 HD1 TYR 27 HD1 TYR 27 -13.935 20.990 -17.820 233 HD2 TYR 27 HD2 TYR 27 -15.569 23.754 -14.963 234 HE1 TYR 27 HE1 TYR 27 -15.640 19.309 -17.168 235 HE2 TYR 27 HE2 TYR 27 -17.273 22.074 -14.312 236 HH TYR 27 HH TYR 27 -17.216 19.217 -14.531 237 H ALA 28 HN ALA 28 -10.818 21.578 -18.099 238 HA ALA 28 HA ALA 28 -9.016 23.764 -18.924 239 1HB ALA 28 1HB ALA 28 -7.799 21.963 -19.974 240 2HB ALA 28 2HB ALA 28 -9.205 20.901 -19.905 241 3HB ALA 28 3HB ALA 28 -8.371 21.356 -18.419 242 1H ARG 1 1HT ARG 1 -32.191 -9.656 -27.518 243 2H ARG 1 2HT ARG 1 -30.643 -9.401 -28.171 244 3H ARG 1 3HT ARG 1 -31.380 -8.195 -27.226 245 HA ARG 1 HA ARG 1 -31.139 -9.431 -25.243 246 1HB ARG 1 2HB ARG 1 -30.470 -11.811 -25.384 247 2HB ARG 1 1HB ARG 1 -31.934 -11.512 -26.320 248 1HG ARG 1 2HG ARG 1 -30.699 -11.465 -28.386 249 2HG ARG 1 1HG ARG 1 -29.158 -11.484 -27.527 250 1HD ARG 1 2HD ARG 1 -29.458 -13.744 -26.819 251 2HD ARG 1 1HD ARG 1 -31.179 -13.728 -27.258 252 HE ARG 1 HE ARG 1 -29.249 -13.187 -29.438 253 1HH1 ARG 1 1HH1 ARG 1 -29.945 -15.970 -27.828 254 2HH1 ARG 1 2HH1 ARG 1 -30.724 -16.783 -29.144 255 1HH2 ARG 1 1HH2 ARG 1 -30.880 -13.956 -31.147 256 2HH2 ARG 1 2HH2 ARG 1 -31.255 -15.642 -31.023 257 H MET 2 H MET 2 -28.809 -10.938 -24.766 258 HA MET 2 HA MET 2 -26.652 -9.178 -25.894 259 1HB MET 2 2HB MET 2 -25.652 -9.290 -23.632 260 2HB MET 2 1HB MET 2 -27.288 -8.635 -23.562 261 1HG MET 2 2HG MET 2 -28.184 -10.644 -22.706 262 2HG MET 2 1HG MET 2 -26.780 -11.587 -23.208 263 1HE MET 2 1HE MET 2 -24.563 -11.946 -20.975 264 2HE MET 2 2HE MET 2 -23.955 -10.342 -21.377 265 3HE MET 2 3HE MET 2 -24.693 -11.337 -22.630 266 H LYS 3 H LYS 3 -24.419 -10.362 -25.142 267 HA LYS 3 HA LYS 3 -24.646 -13.303 -25.598 268 1HB LYS 3 2HB LYS 3 -22.987 -13.116 -27.415 269 2HB LYS 3 1HB LYS 3 -24.409 -12.135 -27.778 270 1HG LYS 3 2HG LYS 3 -23.092 -10.215 -26.606 271 2HG LYS 3 1HG LYS 3 -21.679 -11.235 -26.883 272 1HD LYS 3 2HD LYS 3 -23.290 -11.129 -29.276 273 2HD LYS 3 1HD LYS 3 -22.918 -9.493 -28.733 274 1HE LYS 3 2HE LYS 3 -20.479 -10.501 -28.412 275 2HE LYS 3 1HE LYS 3 -21.048 -11.655 -29.637 276 1HZ LYS 3 1HZ LYS 3 -21.420 -8.726 -29.896 277 2HZ LYS 3 2HZ LYS 3 -21.622 -9.913 -31.095 278 3HZ LYS 3 3HZ LYS 3 -20.067 -9.528 -30.529 279 H LYS 4 H LYS 4 -21.934 -13.851 -25.827 280 HA LYS 4 HA LYS 4 -20.624 -12.542 -23.483 281 1HB LYS 4 2HB LYS 4 -22.022 -14.773 -23.117 282 2HB LYS 4 1HB LYS 4 -20.569 -15.526 -23.775 283 1HG LYS 4 2HG LYS 4 -19.675 -15.390 -21.711 284 2HG LYS 4 1HG LYS 4 -19.618 -13.640 -21.935 285 1HD LYS 4 2HD LYS 4 -21.911 -13.451 -21.029 286 2HD LYS 4 1HD LYS 4 -21.952 -15.198 -20.785 287 1HE LYS 4 2HE LYS 4 -19.555 -14.021 -19.605 288 2HE LYS 4 1HE LYS 4 -21.039 -13.322 -18.928 289 1HZ LYS 4 1HZ LYS 4 -20.254 -15.496 -17.914 290 2HZ LYS 4 2HZ LYS 4 -20.733 -16.233 -19.368 291 3HZ LYS 4 3HZ LYS 4 -21.877 -15.430 -18.402 292 H LYS 5 H LYS 5 -18.337 -12.577 -23.619 293 HA LYS 5 HA LYS 5 -17.241 -13.508 -26.244 294 1HB LYS 5 2HB LYS 5 -16.889 -11.202 -24.446 295 2HB LYS 5 1HB LYS 5 -15.372 -11.861 -25.059 296 1HG LYS 5 2HG LYS 5 -16.068 -11.585 -27.336 297 2HG LYS 5 1HG LYS 5 -17.728 -11.232 -26.851 298 1HD LYS 5 2HD LYS 5 -16.785 -9.108 -27.324 299 2HD LYS 5 1HD LYS 5 -16.738 -9.231 -25.565 300 1HE LYS 5 2HE LYS 5 -14.429 -9.480 -25.507 301 2HE LYS 5 1HE LYS 5 -14.367 -10.218 -27.120 302 1HZ LYS 5 1HZ LYS 5 -14.840 -7.375 -26.434 303 2HZ LYS 5 2HZ LYS 5 -15.218 -8.014 -27.963 304 3HZ LYS 5 3HZ LYS 5 -13.611 -8.021 -27.409 305 H ASP 6 H ASP 6 -14.597 -13.721 -25.725 306 HA ASP 6 HA ASP 6 -14.468 -16.010 -23.820 307 1HB ASP 6 2HB ASP 6 -12.406 -16.522 -25.093 308 2HB ASP 6 1HB ASP 6 -13.776 -16.295 -26.181 309 H GLU 7 H GLU 7 -14.540 -13.402 -22.644 310 HA GLU 7 HA GLU 7 -11.894 -12.373 -22.101 311 1HB GLU 7 2HB GLU 7 -14.272 -11.331 -21.876 312 2HB GLU 7 1HB GLU 7 -14.302 -12.126 -20.301 313 1HG GLU 7 2HG GLU 7 -12.146 -10.990 -19.739 314 2HG GLU 7 1HG GLU 7 -12.251 -10.114 -21.265 315 H GLY 8 H GLY 8 -10.475 -13.934 -21.260 316 1HA GLY 8 2HA GLY 8 -11.390 -15.447 -18.854 317 2HA GLY 8 1HA GLY 8 -10.034 -15.918 -19.880 318 H SER 9 H SER 9 -8.284 -15.796 -18.521 319 HA SER 9 HA SER 9 -7.375 -13.165 -17.644 320 1HB SER 9 2HB SER 9 -8.728 -15.101 -15.814 321 2HB SER 9 1HB SER 9 -7.348 -14.210 -15.179 322 HG SER 9 HG SER 9 -9.332 -13.097 -14.877 323 H TYR 10 H TYR 10 -5.171 -13.267 -17.788 324 HA TYR 10 HA TYR 10 -3.688 -15.620 -16.826 325 1HB TYR 10 2HB TYR 10 -2.680 -15.982 -19.106 326 2HB TYR 10 1HB TYR 10 -4.404 -16.348 -19.037 327 HD1 TYR 10 HD1 TYR 10 -6.069 -14.601 -19.822 328 HD2 TYR 10 HD2 TYR 10 -1.844 -14.271 -20.531 329 HE1 TYR 10 HE1 TYR 10 -6.499 -12.928 -21.604 330 HE2 TYR 10 HE2 TYR 10 -2.273 -12.598 -22.312 331 HH TYR 10 HH TYR 10 -4.974 -10.922 -22.648 332 H ASP 11 H ASP 11 -3.629 -12.534 -18.596 333 HA ASP 11 HA ASP 11 -1.111 -11.837 -17.139 334 1HB ASP 11 2HB ASP 11 -0.537 -12.651 -19.381 335 2HB ASP 11 1HB ASP 11 -1.704 -11.541 -20.102 336 H LEU 12 H LEU 12 -3.310 -10.817 -16.085 337 HA LEU 12 HA LEU 12 -3.165 -7.972 -16.637 338 1HB LEU 12 2HB LEU 12 -4.527 -8.748 -18.531 339 2HB LEU 12 1HB LEU 12 -5.631 -9.556 -17.420 340 HG LEU 12 HG LEU 12 -5.080 -6.616 -17.111 341 1HD1 LEU 12 1HD1 LEU 12 -7.009 -7.926 -19.045 342 2HD1 LEU 12 2HD1 LEU 12 -5.714 -6.793 -19.435 343 3HD1 LEU 12 3HD1 LEU 12 -7.130 -6.242 -18.539 344 1HD2 LEU 12 1HD2 LEU 12 -6.524 -7.006 -15.417 345 2HD2 LEU 12 2HD2 LEU 12 -6.865 -8.635 -16.004 346 3HD2 LEU 12 3HD2 LEU 12 -7.767 -7.260 -16.643 347 H GLY 13 H GLY 13 -4.068 -6.795 -14.904 348 1HA GLY 13 2HA GLY 13 -5.968 -7.972 -13.052 349 2HA GLY 13 1HA GLY 13 -4.335 -7.937 -12.385 350 H LYS 14 H LYS 14 -3.329 -5.564 -13.289 351 HA LYS 14 HA LYS 14 -5.154 -3.572 -11.994 352 1HB LYS 14 2HB LYS 14 -2.242 -4.152 -12.024 353 2HB LYS 14 1HB LYS 14 -2.679 -2.443 -12.012 354 1HG LYS 14 2HG LYS 14 -2.752 -2.800 -9.746 355 2HG LYS 14 1HG LYS 14 -4.388 -3.334 -10.130 356 1HD LYS 14 2HD LYS 14 -3.616 -5.659 -10.290 357 2HD LYS 14 1HD LYS 14 -1.961 -5.144 -9.960 358 1HE LYS 14 2HE LYS 14 -2.579 -5.687 -7.797 359 2HE LYS 14 1HE LYS 14 -3.213 -4.029 -7.826 360 1HZ LYS 14 1HZ LYS 14 -5.002 -5.421 -7.182 361 2HZ LYS 14 2HZ LYS 14 -4.680 -6.540 -8.420 362 3HZ LYS 14 3HZ LYS 14 -5.290 -5.000 -8.799 363 H LYS 15 H LYS 15 -5.016 -1.337 -12.910 364 HA LYS 15 HA LYS 15 -4.303 -1.313 -15.823 365 1HB LYS 15 2HB LYS 15 -6.412 0.064 -16.077 366 2HB LYS 15 1HB LYS 15 -6.699 -1.607 -15.595 367 1HG LYS 15 2HG LYS 15 -6.950 -0.944 -13.266 368 2HG LYS 15 1HG LYS 15 -6.525 0.721 -13.662 369 1HD LYS 15 2HD LYS 15 -8.722 1.105 -13.987 370 2HD LYS 15 1HD LYS 15 -8.609 0.086 -15.423 371 1HE LYS 15 2HE LYS 15 -8.846 -1.873 -13.619 372 2HE LYS 15 1HE LYS 15 -9.666 -0.590 -12.707 373 1HZ LYS 15 1HZ LYS 15 -10.253 -1.407 -15.503 374 2HZ LYS 15 2HZ LYS 15 -10.981 -0.099 -14.700 375 3HZ LYS 15 3HZ LYS 15 -11.241 -1.687 -14.154 376 HA PRO 16 HA PRO 16 -2.314 2.495 -14.916 377 1HB PRO 16 2HB PRO 16 -2.682 3.859 -17.260 378 2HB PRO 16 1HB PRO 16 -1.560 2.493 -17.106 379 1HG PRO 16 2HG PRO 16 -4.302 2.568 -18.257 380 2HG PRO 16 1HG PRO 16 -2.874 1.673 -18.798 381 1HD PRO 16 2HD PRO 16 -4.926 0.545 -17.393 382 2HD PRO 16 1HD PRO 16 -3.256 -0.062 -17.358 383 H ILE 17 H ILE 17 -2.766 4.817 -14.561 384 HA ILE 17 HA ILE 17 -5.492 5.798 -14.956 385 HB ILE 17 HB ILE 17 -5.683 6.146 -12.430 386 1HG1 ILE 17 2HG1 ILE 17 -3.601 3.954 -12.354 387 2HG1 ILE 17 1HG1 ILE 17 -3.205 5.654 -12.090 388 1HG2 ILE 17 1HG2 ILE 17 -5.562 3.228 -13.161 389 2HG2 ILE 17 2HG2 ILE 17 -6.766 4.291 -13.888 390 3HG2 ILE 17 3HG2 ILE 17 -6.735 4.058 -12.140 391 1HD1 ILE 17 1HD1 ILE 17 -5.039 5.646 -10.300 392 2HD1 ILE 17 2HD1 ILE 17 -3.566 4.757 -9.916 393 3HD1 ILE 17 3HD1 ILE 17 -5.010 3.887 -10.432 394 H TYR 18 H TYR 18 -3.588 7.082 -16.150 395 HA TYR 18 HA TYR 18 -2.094 8.945 -14.464 396 1HB TYR 18 2HB TYR 18 -1.899 7.903 -17.005 397 2HB TYR 18 1HB TYR 18 -2.486 9.533 -17.332 398 HD1 TYR 18 HD1 TYR 18 0.208 7.572 -15.700 399 HD2 TYR 18 HD2 TYR 18 -1.101 11.460 -16.976 400 HE1 TYR 18 HE1 TYR 18 2.479 8.472 -15.285 401 HE2 TYR 18 HE2 TYR 18 1.174 12.360 -16.564 402 HH TYR 18 HH TYR 18 3.831 10.598 -16.326 403 H LYS 19 H LYS 19 -3.530 10.315 -13.322 404 HA LYS 19 HA LYS 19 -4.780 12.471 -14.818 405 1HB LYS 19 2HB LYS 19 -6.224 10.168 -14.782 406 2HB LYS 19 1HB LYS 19 -6.814 10.927 -13.303 407 1HG LYS 19 2HG LYS 19 -6.607 12.818 -15.527 408 2HG LYS 19 1HG LYS 19 -7.709 11.484 -15.872 409 1HD LYS 19 2HD LYS 19 -8.625 11.957 -13.465 410 2HD LYS 19 1HD LYS 19 -7.852 13.530 -13.671 411 1HE LYS 19 2HE LYS 19 -9.120 13.434 -16.030 412 2HE LYS 19 1HE LYS 19 -10.211 12.384 -15.104 413 1HZ LYS 19 1HZ LYS 19 -9.358 15.146 -14.439 414 2HZ LYS 19 2HZ LYS 19 -10.106 14.118 -13.312 415 3HZ LYS 19 3HZ LYS 19 -10.935 14.589 -14.718 416 H LYS 20 H LYS 20 -3.018 12.962 -12.932 417 HA LYS 20 HA LYS 20 -4.172 13.065 -10.231 418 1HB LYS 20 2HB LYS 20 -1.715 12.723 -11.015 419 2HB LYS 20 1HB LYS 20 -1.695 14.475 -11.224 420 1HG LYS 20 2HG LYS 20 -1.575 14.837 -8.997 421 2HG LYS 20 1HG LYS 20 -2.862 13.676 -8.666 422 1HD LYS 20 2HD LYS 20 -1.323 11.829 -8.728 423 2HD LYS 20 1HD LYS 20 -0.028 12.855 -9.346 424 1HE LYS 20 2HE LYS 20 -0.064 14.161 -7.231 425 2HE LYS 20 1HE LYS 20 -1.320 13.076 -6.603 426 1HZ LYS 20 1HZ LYS 20 1.313 12.169 -7.636 427 2HZ LYS 20 2HZ LYS 20 0.125 11.207 -6.894 428 3HZ LYS 20 3HZ LYS 20 0.961 12.376 -5.990 429 H ALA 21 H ALA 21 -3.871 15.359 -9.112 430 HA ALA 21 HA ALA 21 -4.810 17.532 -10.942 431 1HB ALA 21 1HB ALA 21 -6.525 16.054 -9.480 432 2HB ALA 21 2HB ALA 21 -6.788 17.772 -9.781 433 3HB ALA 21 3HB ALA 21 -6.073 17.242 -8.257 434 HA PRO 22 HA PRO 22 -1.679 18.753 -7.642 435 1HB PRO 22 2HB PRO 22 0.435 19.260 -9.303 436 2HB PRO 22 1HB PRO 22 0.140 17.668 -8.578 437 1HG PRO 22 2HG PRO 22 -0.439 18.630 -11.331 438 2HG PRO 22 1HG PRO 22 0.124 17.043 -10.783 439 1HD PRO 22 2HD PRO 22 -2.467 17.591 -11.485 440 2HD PRO 22 1HD PRO 22 -1.993 16.298 -10.361 441 H THR 23 H THR 23 -0.003 20.885 -8.381 442 HA THR 23 HA THR 23 -2.000 22.912 -9.324 443 HB THR 23 HB THR 23 -0.656 24.459 -7.923 444 HG1 THR 23 HG1 THR 23 0.767 22.180 -7.067 445 1HG2 THR 23 1HG2 THR 23 -2.132 22.150 -6.987 446 2HG2 THR 23 2HG2 THR 23 -2.118 23.794 -6.348 447 3HG2 THR 23 3HG2 THR 23 -0.910 22.626 -5.808 448 H ASN 24 H ASN 24 -0.613 24.972 -10.135 449 HA ASN 24 HA ASN 24 0.958 23.989 -12.436 450 1HB ASN 24 2HB ASN 24 -0.911 25.879 -12.189 451 2HB ASN 24 1HB ASN 24 0.492 26.880 -11.808 452 1HD2 ASN 24 1HD2 ASN 24 -0.434 27.807 -14.050 453 2HD2 ASN 24 2HD2 ASN 24 0.304 27.169 -15.440 454 H GLU 25 H GLU 25 2.891 23.291 -11.248 455 HA GLU 25 HA GLU 25 4.795 25.500 -10.811 456 1HB GLU 25 2HB GLU 25 3.298 24.222 -8.695 457 2HB GLU 25 1HB GLU 25 5.018 23.884 -8.494 458 1HG GLU 25 2HG GLU 25 5.151 25.934 -7.547 459 2HG GLU 25 1HG GLU 25 4.993 26.564 -9.187 460 H PHE 26 H PHE 26 7.004 24.704 -10.730 461 HA PHE 26 HA PHE 26 7.416 22.209 -12.188 462 1HB PHE 26 2HB PHE 26 9.134 24.381 -10.983 463 2HB PHE 26 1HB PHE 26 9.861 22.945 -11.704 464 HD1 PHE 26 HD1 PHE 26 8.781 22.278 -14.079 465 HD2 PHE 26 HD2 PHE 26 8.812 26.222 -12.372 466 HE1 PHE 26 HE1 PHE 26 8.486 23.258 -16.340 467 HE2 PHE 26 HE2 PHE 26 8.516 27.203 -14.632 468 HZ PHE 26 HZ PHE 26 8.354 25.721 -16.615 469 H TYR 27 H TYR 27 8.332 23.377 -8.924 470 HA TYR 27 HA TYR 27 8.584 20.505 -8.087 471 1HB TYR 27 2HB TYR 27 10.274 22.924 -7.767 472 2HB TYR 27 1HB TYR 27 10.141 21.894 -6.341 473 HD1 TYR 27 HD1 TYR 27 10.260 19.256 -6.939 474 HD2 TYR 27 HD2 TYR 27 11.997 22.434 -9.253 475 HE1 TYR 27 HE1 TYR 27 11.857 17.648 -7.949 476 HE2 TYR 27 HE2 TYR 27 13.594 20.826 -10.262 477 HH TYR 27 HH TYR 27 13.382 17.988 -10.596 478 H ALA 28 HN ALA 28 7.188 19.937 -6.465 479 HA ALA 28 HA ALA 28 5.524 22.009 -5.184 480 1HB ALA 28 1HB ALA 28 4.226 20.103 -4.471 481 2HB ALA 28 2HB ALA 28 5.571 19.005 -4.783 482 3HB ALA 28 3HB ALA 28 4.738 19.784 -6.129 Start of MODEL 9 1 1H ARG 1 1HT ARG 1 5.619 -31.924 -22.502 2 2H ARG 1 2HT ARG 1 5.272 -31.105 -23.950 3 3H ARG 1 3HT ARG 1 4.063 -32.012 -23.174 4 HA ARG 1 HA ARG 1 5.327 -29.533 -22.113 5 1HB ARG 1 2HB ARG 1 3.669 -29.620 -24.147 6 2HB ARG 1 1HB ARG 1 2.458 -29.971 -22.913 7 1HG ARG 1 2HG ARG 1 2.442 -27.600 -23.150 8 2HG ARG 1 1HG ARG 1 3.348 -27.914 -21.670 9 1HD ARG 1 2HD ARG 1 5.326 -28.015 -23.607 10 2HD ARG 1 1HD ARG 1 4.270 -26.710 -24.184 11 HE ARG 1 HE ARG 1 5.498 -26.801 -21.458 12 1HH1 ARG 1 1HH2 ARG 1 3.108 -25.271 -23.259 13 2HH1 ARG 1 2HH2 ARG 1 3.657 -23.659 -22.942 14 1HH2 ARG 1 1HH1 ARG 1 6.585 -24.678 -21.389 15 2HH2 ARG 1 2HH1 ARG 1 5.625 -23.323 -21.884 16 H MET 2 H MET 2 5.712 -30.718 -20.070 17 HA MET 2 HA MET 2 3.296 -30.762 -18.370 18 1HB MET 2 2HB MET 2 3.835 -33.026 -19.673 19 2HB MET 2 1HB MET 2 4.993 -33.230 -18.358 20 1HG MET 2 2HG MET 2 3.285 -33.145 -16.702 21 2HG MET 2 1HG MET 2 2.098 -32.526 -17.850 22 1HE MET 2 1HE MET 2 0.162 -35.505 -18.462 23 2HE MET 2 2HE MET 2 0.491 -33.895 -19.097 24 3HE MET 2 3HE MET 2 0.310 -34.130 -17.360 25 H LYS 3 H LYS 3 5.011 -28.918 -17.806 26 HA LYS 3 HA LYS 3 6.718 -30.000 -15.596 27 1HB LYS 3 2HB LYS 3 7.452 -27.921 -17.685 28 2HB LYS 3 1HB LYS 3 8.476 -28.407 -16.335 29 1HG LYS 3 2HG LYS 3 8.083 -30.831 -17.300 30 2HG LYS 3 1HG LYS 3 7.717 -29.957 -18.788 31 1HD LYS 3 2HD LYS 3 9.919 -28.710 -18.439 32 2HD LYS 3 1HD LYS 3 10.287 -29.904 -17.194 33 1HE LYS 3 2HE LYS 3 11.266 -30.864 -19.113 34 2HE LYS 3 1HE LYS 3 9.671 -31.643 -19.087 35 1HZ LYS 3 1HZ LYS 3 10.053 -30.703 -21.259 36 2HZ LYS 3 2HZ LYS 3 10.411 -29.184 -20.587 37 3HZ LYS 3 3HZ LYS 3 8.837 -29.814 -20.480 38 H LYS 4 H LYS 4 4.092 -28.796 -15.403 39 HA LYS 4 HA LYS 4 4.811 -26.319 -13.882 40 1HB LYS 4 2HB LYS 4 2.643 -26.772 -15.946 41 2HB LYS 4 1HB LYS 4 2.601 -25.416 -14.818 42 1HG LYS 4 2HG LYS 4 4.916 -24.793 -15.622 43 2HG LYS 4 1HG LYS 4 4.736 -26.016 -16.881 44 1HD LYS 4 2HD LYS 4 3.958 -24.145 -18.010 45 2HD LYS 4 1HD LYS 4 2.449 -24.749 -17.323 46 1HE LYS 4 2HE LYS 4 2.408 -23.101 -15.639 47 2HE LYS 4 1HE LYS 4 4.147 -22.778 -15.786 48 1HZ LYS 4 1HZ LYS 4 3.750 -21.991 -18.057 49 2HZ LYS 4 2HZ LYS 4 2.896 -21.061 -16.919 50 3HZ LYS 4 3HZ LYS 4 2.082 -22.224 -17.853 51 H LYS 5 H LYS 5 4.556 -27.450 -11.880 52 HA LYS 5 HA LYS 5 1.768 -28.414 -11.318 53 1HB LYS 5 2HB LYS 5 3.901 -29.984 -11.419 54 2HB LYS 5 1HB LYS 5 4.191 -29.336 -9.804 55 1HG LYS 5 2HG LYS 5 2.781 -30.959 -9.088 56 2HG LYS 5 1HG LYS 5 1.497 -29.935 -9.732 57 1HD LYS 5 2HD LYS 5 1.355 -31.155 -11.737 58 2HD LYS 5 1HD LYS 5 2.955 -31.868 -11.523 59 1HE LYS 5 2HE LYS 5 2.031 -33.073 -9.479 60 2HE LYS 5 1HE LYS 5 0.420 -32.538 -9.999 61 1HZ LYS 5 1HZ LYS 5 0.777 -34.611 -11.041 62 2HZ LYS 5 2HZ LYS 5 2.358 -34.200 -11.508 63 3HZ LYS 5 3HZ LYS 5 1.027 -33.447 -12.248 64 H ASP 6 H ASP 6 2.115 -25.754 -10.930 65 HA ASP 6 HA ASP 6 2.002 -25.498 -7.994 66 1HB ASP 6 2HB ASP 6 4.418 -25.183 -9.280 67 2HB ASP 6 1HB ASP 6 3.812 -23.526 -9.229 68 H GLU 7 H GLU 7 2.545 -23.245 -10.728 69 HA GLU 7 HA GLU 7 0.110 -21.741 -9.865 70 1HB GLU 7 2HB GLU 7 2.672 -21.124 -11.316 71 2HB GLU 7 1HB GLU 7 1.280 -20.061 -11.523 72 1HG GLU 7 2HG GLU 7 1.133 -19.763 -9.081 73 2HG GLU 7 1HG GLU 7 2.521 -20.831 -8.866 74 H GLY 8 H GLY 8 -1.689 -21.847 -11.155 75 1HA GLY 8 2HA GLY 8 -1.476 -23.233 -13.761 76 2HA GLY 8 1HA GLY 8 -2.976 -22.852 -12.916 77 H SER 9 H SER 9 -2.583 -20.111 -12.441 78 HA SER 9 HA SER 9 -2.116 -18.906 -15.128 79 1HB SER 9 2HB SER 9 -4.334 -17.902 -15.093 80 2HB SER 9 1HB SER 9 -4.506 -19.640 -14.867 81 HG SER 9 HG SER 9 -5.716 -18.731 -13.286 82 H TYR 10 H TYR 10 -2.464 -16.391 -14.861 83 HA TYR 10 HA TYR 10 -1.443 -15.535 -12.173 84 1HB TYR 10 2HB TYR 10 0.004 -15.706 -14.500 85 2HB TYR 10 1HB TYR 10 -0.556 -14.034 -14.558 86 HD1 TYR 10 HD1 TYR 10 0.392 -16.258 -11.690 87 HD2 TYR 10 HD2 TYR 10 1.189 -12.639 -13.865 88 HE1 TYR 10 HE1 TYR 10 2.100 -15.623 -10.006 89 HE2 TYR 10 HE2 TYR 10 2.896 -12.003 -12.181 90 HH TYR 10 HH TYR 10 3.118 -12.934 -9.347 91 H ASP 11 H ASP 11 -1.800 -13.139 -11.824 92 HA ASP 11 HA ASP 11 -4.179 -12.118 -13.340 93 1HB ASP 11 2HB ASP 11 -3.733 -12.696 -10.463 94 2HB ASP 11 1HB ASP 11 -4.550 -11.172 -10.812 95 H LEU 12 H LEU 12 -2.245 -10.956 -14.425 96 HA LEU 12 HA LEU 12 -2.037 -8.269 -13.346 97 1HB LEU 12 2HB LEU 12 -0.458 -9.461 -11.898 98 2HB LEU 12 1HB LEU 12 0.354 -10.136 -13.310 99 HG LEU 12 HG LEU 12 0.074 -7.161 -13.113 100 1HD1 LEU 12 1HD1 LEU 12 1.912 -8.904 -11.475 101 2HD1 LEU 12 2HD1 LEU 12 0.950 -7.523 -10.951 102 3HD1 LEU 12 3HD1 LEU 12 2.386 -7.271 -11.942 103 1HD2 LEU 12 1HD2 LEU 12 1.668 -9.185 -14.553 104 2HD2 LEU 12 2HD2 LEU 12 2.599 -7.800 -13.983 105 3HD2 LEU 12 3HD2 LEU 12 1.213 -7.554 -15.046 106 H GLY 13 H GLY 13 -1.388 -6.837 -14.987 107 1HA GLY 13 2HA GLY 13 0.093 -7.732 -17.323 108 2HA GLY 13 1HA GLY 13 -1.621 -7.490 -17.672 109 H LYS 14 H LYS 14 -2.257 -5.281 -16.189 110 HA LYS 14 HA LYS 14 -0.547 -3.175 -17.453 111 1HB LYS 14 2HB LYS 14 -3.439 -3.545 -16.799 112 2HB LYS 14 1HB LYS 14 -2.805 -1.900 -16.777 113 1HG LYS 14 2HG LYS 14 -2.241 -1.943 -19.046 114 2HG LYS 14 1HG LYS 14 -2.194 -3.705 -19.100 115 1HD LYS 14 2HD LYS 14 -4.313 -3.694 -19.852 116 2HD LYS 14 1HD LYS 14 -4.817 -3.015 -18.304 117 1HE LYS 14 2HE LYS 14 -4.029 -0.732 -19.342 118 2HE LYS 14 1HE LYS 14 -4.229 -1.585 -20.886 119 1HZ LYS 14 1HZ LYS 14 -6.451 -2.048 -20.436 120 2HZ LYS 14 2HZ LYS 14 -6.278 -0.448 -19.891 121 3HZ LYS 14 3HZ LYS 14 -6.293 -1.730 -18.777 122 H LYS 15 H LYS 15 -0.341 -1.132 -16.152 123 HA LYS 15 HA LYS 15 -0.416 -1.623 -13.196 124 1HB LYS 15 2HB LYS 15 1.800 -0.325 -14.818 125 2HB LYS 15 1HB LYS 15 1.819 -0.615 -13.078 126 1HG LYS 15 2HG LYS 15 2.875 -2.550 -13.645 127 2HG LYS 15 1HG LYS 15 1.247 -3.117 -14.021 128 1HD LYS 15 2HD LYS 15 1.786 -3.310 -16.194 129 2HD LYS 15 1HD LYS 15 2.244 -1.607 -16.252 130 1HE LYS 15 2HE LYS 15 4.449 -2.132 -16.264 131 2HE LYS 15 1HE LYS 15 4.255 -3.208 -14.865 132 1HZ LYS 15 1HZ LYS 15 3.046 -4.707 -16.566 133 2HZ LYS 15 2HZ LYS 15 4.744 -4.692 -16.546 134 3HZ LYS 15 3HZ LYS 15 3.897 -3.812 -17.727 135 HA PRO 16 HA PRO 16 -2.227 2.370 -13.008 136 1HB PRO 16 2HB PRO 16 -1.317 3.248 -10.582 137 2HB PRO 16 1HB PRO 16 -2.556 1.989 -10.751 138 1HG PRO 16 2HG PRO 16 0.348 1.718 -10.169 139 2HG PRO 16 1HG PRO 16 -1.023 0.803 -9.525 140 1HD PRO 16 2HD PRO 16 0.633 -0.130 -11.487 141 2HD PRO 16 1HD PRO 16 -1.058 -0.643 -11.296 142 H ILE 17 H ILE 17 -1.684 4.678 -13.045 143 HA ILE 17 HA ILE 17 1.136 5.474 -13.041 144 HB ILE 17 HB ILE 17 0.776 6.364 -15.434 145 1HG1 ILE 17 2HG1 ILE 17 -1.338 4.202 -15.467 146 2HG1 ILE 17 1HG1 ILE 17 -1.723 5.918 -15.310 147 1HG2 ILE 17 1HG2 ILE 17 1.893 4.528 -16.217 148 2HG2 ILE 17 2HG2 ILE 17 0.702 3.401 -15.566 149 3HG2 ILE 17 3HG2 ILE 17 1.929 4.098 -14.507 150 1HD1 ILE 17 1HD1 ILE 17 -0.556 6.381 -17.431 151 2HD1 ILE 17 2HD1 ILE 17 -1.847 5.201 -17.669 152 3HD1 ILE 17 3HD1 ILE 17 -0.167 4.668 -17.593 153 H TYR 18 H TYR 18 -0.719 6.393 -11.291 154 HA TYR 18 HA TYR 18 -2.099 8.771 -12.325 155 1HB TYR 18 2HB TYR 18 -2.757 7.094 -10.445 156 2HB TYR 18 1HB TYR 18 -1.640 8.016 -9.438 157 HD1 TYR 18 HD1 TYR 18 -2.001 10.488 -9.124 158 HD2 TYR 18 HD2 TYR 18 -4.905 7.951 -11.019 159 HE1 TYR 18 HE1 TYR 18 -3.742 12.222 -8.777 160 HE2 TYR 18 HE2 TYR 18 -6.644 9.683 -10.675 161 HH TYR 18 HH TYR 18 -6.495 12.407 -10.364 162 H LYS 19 H LYS 19 -0.740 10.486 -12.838 163 HA LYS 19 HA LYS 19 0.696 11.858 -10.741 164 1HB LYS 19 2HB LYS 19 2.976 11.406 -11.565 165 2HB LYS 19 1HB LYS 19 2.176 9.897 -11.125 166 1HG LYS 19 2HG LYS 19 1.538 9.591 -13.524 167 2HG LYS 19 1HG LYS 19 2.482 11.027 -13.921 168 1HD LYS 19 2HD LYS 19 4.222 9.597 -14.174 169 2HD LYS 19 1HD LYS 19 4.259 9.554 -12.411 170 1HE LYS 19 2HE LYS 19 2.935 7.551 -12.339 171 2HE LYS 19 1HE LYS 19 2.536 7.680 -14.064 172 1HZ LYS 19 1HZ LYS 19 4.378 6.134 -13.692 173 2HZ LYS 19 2HZ LYS 19 5.276 7.372 -12.951 174 3HZ LYS 19 3HZ LYS 19 4.876 7.478 -14.599 175 H LYS 20 H LYS 20 -1.179 12.332 -13.030 176 HA LYS 20 HA LYS 20 -0.053 13.643 -15.240 177 1HB LYS 20 2HB LYS 20 -2.475 13.125 -14.700 178 2HB LYS 20 1HB LYS 20 -2.470 14.538 -13.643 179 1HG LYS 20 2HG LYS 20 -2.804 15.892 -15.406 180 2HG LYS 20 1HG LYS 20 -1.344 15.274 -16.181 181 1HD LYS 20 2HD LYS 20 -2.926 13.199 -16.709 182 2HD LYS 20 1HD LYS 20 -4.188 14.419 -16.539 183 1HE LYS 20 2HE LYS 20 -1.824 15.179 -18.193 184 2HE LYS 20 1HE LYS 20 -2.949 13.997 -18.890 185 1HZ LYS 20 1HZ LYS 20 -4.760 15.552 -18.061 186 2HZ LYS 20 2HZ LYS 20 -3.876 16.066 -19.418 187 3HZ LYS 20 3HZ LYS 20 -3.540 16.718 -17.885 188 H ALA 21 H ALA 21 0.753 15.744 -15.584 189 HA ALA 21 HA ALA 21 0.796 17.661 -13.318 190 1HB ALA 21 1HB ALA 21 3.133 17.618 -13.081 191 2HB ALA 21 2HB ALA 21 3.375 16.901 -14.673 192 3HB ALA 21 3HB ALA 21 2.758 15.916 -13.347 193 HA PRO 22 HA PRO 22 0.578 19.447 -17.631 194 1HB PRO 22 2HB PRO 22 -1.841 20.686 -17.338 195 2HB PRO 22 1HB PRO 22 -1.677 19.012 -17.910 196 1HG PRO 22 2HG PRO 22 -2.411 20.028 -15.213 197 2HG PRO 22 1HG PRO 22 -3.026 18.624 -16.097 198 1HD PRO 22 2HD PRO 22 -1.189 18.467 -14.075 199 2HD PRO 22 1HD PRO 22 -1.333 17.269 -15.381 200 H THR 23 H THR 23 -1.424 21.555 -15.721 201 HA THR 23 HA THR 23 0.745 23.201 -14.668 202 HB THR 23 HB THR 23 0.914 23.724 -17.046 203 HG1 THR 23 HG1 THR 23 1.183 25.516 -15.816 204 1HG2 THR 23 1HG2 THR 23 -1.904 23.342 -16.955 205 2HG2 THR 23 2HG2 THR 23 -0.894 23.630 -18.372 206 3HG2 THR 23 3HG2 THR 23 -1.612 24.990 -17.509 207 H ASN 24 H ASN 24 -0.782 25.666 -14.774 208 HA ASN 24 HA ASN 24 -2.353 25.549 -12.467 209 1HB ASN 24 2HB ASN 24 -3.346 27.662 -13.374 210 2HB ASN 24 1HB ASN 24 -1.592 27.606 -13.556 211 1HD2 ASN 24 1HD2 ASN 24 -4.565 27.931 -15.279 212 2HD2 ASN 24 2HD2 ASN 24 -3.918 27.851 -16.847 213 H GLU 25 H GLU 25 -4.847 26.016 -12.487 214 HA GLU 25 HA GLU 25 -6.200 24.231 -14.482 215 1HB GLU 25 2HB GLU 25 -5.776 23.884 -11.678 216 2HB GLU 25 1HB GLU 25 -7.499 24.168 -11.927 217 1HG GLU 25 2HG GLU 25 -5.966 22.217 -13.645 218 2HG GLU 25 1HG GLU 25 -6.668 21.729 -12.101 219 H PHE 26 H PHE 26 -6.624 26.485 -15.438 220 HA PHE 26 HA PHE 26 -8.126 28.515 -14.183 221 1HB PHE 26 2HB PHE 26 -7.019 28.369 -16.505 222 2HB PHE 26 1HB PHE 26 -8.506 27.583 -17.036 223 HD1 PHE 26 HD1 PHE 26 -10.692 28.792 -16.867 224 HD2 PHE 26 HD2 PHE 26 -6.939 30.727 -16.075 225 HE1 PHE 26 HE1 PHE 26 -11.788 31.007 -17.088 226 HE2 PHE 26 HE2 PHE 26 -8.034 32.942 -16.296 227 HZ PHE 26 HZ PHE 26 -10.459 33.083 -16.802 228 H TYR 27 H TYR 27 -10.023 28.177 -13.075 229 HA TYR 27 HA TYR 27 -12.255 26.814 -14.476 230 1HB TYR 27 2HB TYR 27 -10.730 25.259 -12.995 231 2HB TYR 27 1HB TYR 27 -11.588 26.016 -11.654 232 HD1 TYR 27 HD1 TYR 27 -13.901 25.533 -11.206 233 HD2 TYR 27 HD2 TYR 27 -11.994 23.991 -14.735 234 HE1 TYR 27 HE1 TYR 27 -15.845 24.044 -11.605 235 HE2 TYR 27 HE2 TYR 27 -13.938 22.502 -15.134 236 HH TYR 27 HH TYR 27 -16.871 22.900 -13.757 237 H ALA 28 HN ALA 28 -13.270 28.919 -14.443 238 HA ALA 28 HA ALA 28 -14.420 29.630 -11.788 239 1HB ALA 28 1HB ALA 28 -13.013 31.393 -11.645 240 2HB ALA 28 2HB ALA 28 -13.779 32.057 -13.088 241 3HB ALA 28 3HB ALA 28 -12.347 31.037 -13.239 242 1H ARG 1 1HT ARG 1 -12.394 -32.444 -12.414 243 2H ARG 1 2HT ARG 1 -12.044 -31.943 -10.829 244 3H ARG 1 3HT ARG 1 -10.864 -32.748 -11.748 245 HA ARG 1 HA ARG 1 -11.966 -30.043 -12.321 246 1HB ARG 1 2HB ARG 1 -10.372 -30.619 -10.316 247 2HB ARG 1 1HB ARG 1 -9.148 -30.791 -11.575 248 1HG ARG 1 2HG ARG 1 -9.013 -28.517 -10.878 249 2HG ARG 1 1HG ARG 1 -9.895 -28.485 -12.406 250 1HD ARG 1 2HD ARG 1 -11.926 -28.849 -10.559 251 2HD ARG 1 1HD ARG 1 -10.819 -27.742 -9.720 252 HE ARG 1 HE ARG 1 -11.975 -27.232 -12.432 253 1HH1 ARG 1 1HH2 ARG 1 -9.559 -26.220 -10.325 254 2HH1 ARG 1 2HH2 ARG 1 -10.015 -24.549 -10.328 255 1HH2 ARG 1 1HH1 ARG 1 -12.947 -25.077 -12.102 256 2HH2 ARG 1 2HH1 ARG 1 -11.931 -23.902 -11.334 257 H MET 2 H MET 2 -12.357 -30.784 -14.564 258 HA MET 2 HA MET 2 -9.900 -30.636 -16.198 259 1HB MET 2 2HB MET 2 -10.596 -33.075 -15.374 260 2HB MET 2 1HB MET 2 -11.725 -32.951 -16.723 261 1HG MET 2 2HG MET 2 -9.969 -32.643 -18.300 262 2HG MET 2 1HG MET 2 -8.785 -32.329 -17.032 263 1HE MET 2 1HE MET 2 -7.026 -35.474 -16.985 264 2HE MET 2 2HE MET 2 -7.288 -34.001 -16.054 265 3HE MET 2 3HE MET 2 -7.071 -33.905 -17.800 266 H LYS 3 H LYS 3 -11.502 -28.620 -16.415 267 HA LYS 3 HA LYS 3 -13.198 -29.153 -18.824 268 1HB LYS 3 2HB LYS 3 -13.882 -27.481 -16.383 269 2HB LYS 3 1HB LYS 3 -14.891 -27.638 -17.820 270 1HG LYS 3 2HG LYS 3 -14.654 -30.220 -17.342 271 2HG LYS 3 1HG LYS 3 -14.282 -29.676 -15.705 272 1HD LYS 3 2HD LYS 3 -16.404 -28.260 -15.840 273 2HD LYS 3 1HD LYS 3 -16.801 -29.166 -17.300 274 1HE LYS 3 2HE LYS 3 -17.882 -30.424 -15.623 275 2HE LYS 3 1HE LYS 3 -16.330 -31.272 -15.775 276 1HZ LYS 3 1HZ LYS 3 -16.723 -30.753 -13.468 277 2HZ LYS 3 2HZ LYS 3 -16.980 -29.115 -13.835 278 3HZ LYS 3 3HZ LYS 3 -15.439 -29.802 -14.036 279 H LYS 4 H LYS 4 -10.508 -28.084 -18.733 280 HA LYS 4 HA LYS 4 -11.056 -25.322 -19.753 281 1HB LYS 4 2HB LYS 4 -8.970 -26.290 -17.783 282 2HB LYS 4 1HB LYS 4 -8.828 -24.745 -18.623 283 1HG LYS 4 2HG LYS 4 -11.128 -24.160 -17.751 284 2HG LYS 4 1HG LYS 4 -11.046 -25.613 -16.753 285 1HD LYS 4 2HD LYS 4 -10.202 -24.047 -15.266 286 2HD LYS 4 1HD LYS 4 -8.709 -24.589 -16.035 287 1HE LYS 4 2HE LYS 4 -8.535 -22.650 -17.360 288 2HE LYS 4 1HE LYS 4 -10.259 -22.263 -17.181 289 1HZ LYS 4 1HZ LYS 4 -9.884 -21.959 -14.795 290 2HZ LYS 4 2HZ LYS 4 -8.950 -20.876 -15.712 291 3HZ LYS 4 3HZ LYS 4 -8.226 -22.244 -15.012 292 H LYS 5 H LYS 5 -10.805 -26.055 -21.933 293 HA LYS 5 HA LYS 5 -8.057 -27.048 -22.625 294 1HB LYS 5 2HB LYS 5 -10.271 -28.482 -22.870 295 2HB LYS 5 1HB LYS 5 -10.482 -27.517 -24.332 296 1HG LYS 5 2HG LYS 5 -9.142 -29.049 -25.327 297 2HG LYS 5 1HG LYS 5 -7.823 -28.244 -24.476 298 1HD LYS 5 2HD LYS 5 -7.801 -29.836 -22.745 299 2HD LYS 5 1HD LYS 5 -9.429 -30.401 -23.121 300 1HE LYS 5 2HE LYS 5 -8.513 -31.236 -25.346 301 2HE LYS 5 1HE LYS 5 -6.892 -30.905 -24.704 302 1HZ LYS 5 1HZ LYS 5 -7.386 -33.118 -24.096 303 2HZ LYS 5 2HZ LYS 5 -8.956 -32.717 -23.584 304 3HZ LYS 5 3HZ LYS 5 -7.608 -32.198 -22.688 305 H ASP 6 H ASP 6 -8.253 -24.347 -22.489 306 HA ASP 6 HA ASP 6 -8.044 -23.532 -25.318 307 1HB ASP 6 2HB ASP 6 -10.474 -23.336 -24.035 308 2HB ASP 6 1HB ASP 6 -9.781 -21.739 -23.749 309 H GLU 7 H GLU 7 -8.542 -21.826 -22.205 310 HA GLU 7 HA GLU 7 -6.010 -20.324 -22.717 311 1HB GLU 7 2HB GLU 7 -8.575 -19.859 -21.217 312 2HB GLU 7 1HB GLU 7 -7.136 -18.937 -20.780 313 1HG GLU 7 2HG GLU 7 -6.906 -18.177 -23.113 314 2HG GLU 7 1HG GLU 7 -8.341 -19.102 -23.558 315 H GLY 8 H GLY 8 -4.256 -20.779 -21.441 316 1HA GLY 8 2HA GLY 8 -4.615 -22.636 -19.163 317 2HA GLY 8 1HA GLY 8 -3.073 -22.184 -19.891 318 H SER 9 H SER 9 -3.308 -19.385 -19.823 319 HA SER 9 HA SER 9 -3.785 -18.703 -16.959 320 1HB SER 9 2HB SER 9 -1.515 -17.842 -16.760 321 2HB SER 9 1HB SER 9 -1.430 -19.509 -17.321 322 HG SER 9 HG SER 9 -0.130 -18.377 -18.671 323 H TYR 10 H TYR 10 -3.295 -16.204 -16.723 324 HA TYR 10 HA TYR 10 -4.195 -14.785 -19.210 325 1HB TYR 10 2HB TYR 10 -5.715 -15.324 -16.988 326 2HB TYR 10 1HB TYR 10 -5.069 -13.731 -16.593 327 HD1 TYR 10 HD1 TYR 10 -6.054 -15.297 -19.858 328 HD2 TYR 10 HD2 TYR 10 -6.718 -12.130 -17.028 329 HE1 TYR 10 HE1 TYR 10 -7.679 -14.249 -21.412 330 HE2 TYR 10 HE2 TYR 10 -8.343 -11.083 -18.582 331 HH TYR 10 HH TYR 10 -8.535 -11.428 -21.547 332 H ASP 11 H ASP 11 -3.703 -12.393 -19.074 333 HA ASP 11 HA ASP 11 -1.316 -11.823 -17.349 334 1HB ASP 11 2HB ASP 11 -1.716 -11.800 -20.290 335 2HB ASP 11 1HB ASP 11 -0.827 -10.424 -19.634 336 H LEU 12 H LEU 12 -3.220 -10.787 -16.091 337 HA LEU 12 HA LEU 12 -3.256 -7.934 -16.625 338 1HB LEU 12 2HB LEU 12 -4.853 -8.730 -18.305 339 2HB LEU 12 1HB LEU 12 -5.740 -9.619 -17.067 340 HG LEU 12 HG LEU 12 -5.297 -6.684 -16.675 341 1HD1 LEU 12 1HD1 LEU 12 -7.177 -7.967 -18.653 342 2HD1 LEU 12 2HD1 LEU 12 -6.128 -6.567 -18.881 343 3HD1 LEU 12 3HD1 LEU 12 -7.578 -6.430 -17.886 344 1HD2 LEU 12 1HD2 LEU 12 -7.040 -8.851 -15.686 345 2HD2 LEU 12 2HD2 LEU 12 -7.877 -7.328 -15.990 346 3HD2 LEU 12 3HD2 LEU 12 -6.510 -7.377 -14.876 347 H GLY 13 H GLY 13 -3.872 -6.813 -14.747 348 1HA GLY 13 2HA GLY 13 -5.460 -8.061 -12.657 349 2HA GLY 13 1HA GLY 13 -3.748 -7.989 -12.239 350 H LYS 14 H LYS 14 -2.956 -5.573 -13.250 351 HA LYS 14 HA LYS 14 -4.587 -3.661 -11.624 352 1HB LYS 14 2HB LYS 14 -1.702 -4.064 -12.289 353 2HB LYS 14 1HB LYS 14 -2.245 -2.410 -12.001 354 1HG LYS 14 2HG LYS 14 -2.874 -2.860 -9.794 355 2HG LYS 14 1HG LYS 14 -3.018 -4.594 -10.084 356 1HD LYS 14 2HD LYS 14 -0.923 -4.851 -9.311 357 2HD LYS 14 1HD LYS 14 -0.340 -3.915 -10.688 358 1HE LYS 14 2HE LYS 14 -1.036 -1.836 -9.237 359 2HE LYS 14 1HE LYS 14 -0.923 -2.983 -7.886 360 1HZ LYS 14 1HZ LYS 14 1.284 -3.475 -8.381 361 2HZ LYS 14 2HZ LYS 14 1.209 -1.791 -8.603 362 3HZ LYS 14 3HZ LYS 14 1.189 -2.831 -9.947 363 H LYS 15 H LYS 15 -4.652 -1.396 -12.501 364 HA LYS 15 HA LYS 15 -4.517 -1.301 -15.494 365 1HB LYS 15 2HB LYS 15 -6.711 -0.221 -13.692 366 2HB LYS 15 1HB LYS 15 -6.693 -0.166 -15.455 367 1HG LYS 15 2HG LYS 15 -7.866 -2.111 -15.296 368 2HG LYS 15 1HG LYS 15 -6.280 -2.831 -15.012 369 1HD LYS 15 2HD LYS 15 -6.886 -3.412 -12.925 370 2HD LYS 15 1HD LYS 15 -7.257 -1.729 -12.545 371 1HE LYS 15 2HE LYS 15 -9.487 -2.121 -12.673 372 2HE LYS 15 1HE LYS 15 -9.311 -2.914 -14.251 373 1HZ LYS 15 1HZ LYS 15 -8.226 -4.780 -12.856 374 2HZ LYS 15 2HZ LYS 15 -9.921 -4.668 -12.901 375 3HZ LYS 15 3HZ LYS 15 -9.063 -4.082 -11.557 376 HA PRO 16 HA PRO 16 -2.496 2.542 -14.867 377 1HB PRO 16 2HB PRO 16 -3.293 3.925 -17.090 378 2HB PRO 16 1HB PRO 16 -2.125 2.589 -17.149 379 1HG PRO 16 2HG PRO 16 -5.023 2.600 -17.822 380 2HG PRO 16 1HG PRO 16 -3.682 1.750 -18.608 381 1HD PRO 16 2HD PRO 16 -5.441 0.551 -16.894 382 2HD PRO 16 1HD PRO 16 -3.775 -0.011 -17.153 383 H ILE 17 H ILE 17 -2.913 4.822 -14.377 384 HA ILE 17 HA ILE 17 -5.685 5.771 -14.270 385 HB ILE 17 HB ILE 17 -5.337 6.149 -11.742 386 1HG1 ILE 17 2HG1 ILE 17 -3.349 3.900 -12.121 387 2HG1 ILE 17 1HG1 ILE 17 -2.866 5.585 -11.917 388 1HG2 ILE 17 1HG2 ILE 17 -6.581 4.267 -11.360 389 2HG2 ILE 17 2HG2 ILE 17 -5.438 3.220 -12.201 390 3HG2 ILE 17 3HG2 ILE 17 -6.591 4.184 -13.122 391 1HD1 ILE 17 1HD1 ILE 17 -4.052 5.674 -9.761 392 2HD1 ILE 17 2HD1 ILE 17 -2.840 4.391 -9.757 393 3HD1 ILE 17 3HD1 ILE 17 -4.547 3.992 -9.961 394 H TYR 18 H TYR 18 -3.767 6.909 -15.782 395 HA TYR 18 HA TYR 18 -2.281 8.960 -14.288 396 1HB TYR 18 2HB TYR 18 -1.660 7.629 -16.440 397 2HB TYR 18 1HB TYR 18 -2.695 8.788 -17.273 398 HD1 TYR 18 HD1 TYR 18 -2.194 11.260 -17.072 399 HD2 TYR 18 HD2 TYR 18 0.528 8.224 -15.720 400 HE1 TYR 18 HE1 TYR 18 -0.350 12.918 -17.055 401 HE2 TYR 18 HE2 TYR 18 2.369 9.880 -15.698 402 HH TYR 18 HH TYR 18 2.362 12.635 -15.450 403 H LYS 19 H LYS 19 -3.562 10.606 -13.473 404 HA LYS 19 HA LYS 19 -4.867 12.440 -15.284 405 1HB LYS 19 2HB LYS 19 -7.184 11.966 -14.592 406 2HB LYS 19 1HB LYS 19 -6.455 10.531 -15.311 407 1HG LYS 19 2HG LYS 19 -5.889 9.724 -13.011 408 2HG LYS 19 1HG LYS 19 -6.766 11.106 -12.351 409 1HD LYS 19 2HD LYS 19 -8.585 9.753 -12.408 410 2HD LYS 19 1HD LYS 19 -8.581 10.058 -14.146 411 1HE LYS 19 2HE LYS 19 -7.358 8.038 -14.591 412 2HE LYS 19 1HE LYS 19 -7.001 7.802 -12.869 413 1HZ LYS 19 1HZ LYS 19 -8.909 6.466 -13.570 414 2HZ LYS 19 2HZ LYS 19 -9.721 7.873 -14.070 415 3HZ LYS 19 3HZ LYS 19 -9.364 7.632 -12.425 416 H LYS 20 H LYS 20 -3.026 12.332 -12.908 417 HA LYS 20 HA LYS 20 -4.128 13.258 -10.503 418 1HB LYS 20 2HB LYS 20 -1.724 12.722 -11.098 419 2HB LYS 20 1HB LYS 20 -1.630 14.309 -11.861 420 1HG LYS 20 2HG LYS 20 -1.267 15.275 -9.863 421 2HG LYS 20 1HG LYS 20 -2.779 14.608 -9.247 422 1HD LYS 20 2HD LYS 20 -1.330 12.381 -9.107 423 2HD LYS 20 1HD LYS 20 0.001 13.534 -9.012 424 1HE LYS 20 2HE LYS 20 -2.366 14.093 -7.284 425 2HE LYS 20 1HE LYS 20 -1.325 12.735 -6.812 426 1HZ LYS 20 1HZ LYS 20 0.588 14.317 -7.289 427 2HZ LYS 20 2HZ LYS 20 -0.305 14.604 -5.873 428 3HZ LYS 20 3HZ LYS 20 -0.564 15.561 -7.252 429 H ALA 21 H ALA 21 -4.834 15.296 -9.767 430 HA ALA 21 HA ALA 21 -4.716 17.616 -11.613 431 1HB ALA 21 1HB ALA 21 -7.043 17.756 -11.897 432 2HB ALA 21 2HB ALA 21 -7.369 16.758 -10.479 433 3HB ALA 21 3HB ALA 21 -6.768 16.015 -11.960 434 HA PRO 22 HA PRO 22 -4.523 18.518 -7.034 435 1HB PRO 22 2HB PRO 22 -2.037 19.651 -7.039 436 2HB PRO 22 1HB PRO 22 -2.303 17.912 -6.807 437 1HG PRO 22 2HG PRO 22 -1.442 19.386 -9.240 438 2HG PRO 22 1HG PRO 22 -0.928 17.803 -8.637 439 1HD PRO 22 2HD PRO 22 -2.714 18.151 -10.682 440 2HD PRO 22 1HD PRO 22 -2.668 16.714 -9.637 441 H THR 23 H THR 23 -2.362 20.841 -8.463 442 HA THR 23 HA THR 23 -4.412 22.782 -9.208 443 HB THR 23 HB THR 23 -4.620 22.840 -6.777 444 HG1 THR 23 HG1 THR 23 -4.761 24.850 -7.634 445 1HG2 THR 23 1HG2 THR 23 -1.823 22.323 -6.890 446 2HG2 THR 23 2HG2 THR 23 -2.857 22.389 -5.462 447 3HG2 THR 23 3HG2 THR 23 -2.044 23.847 -6.031 448 H ASN 24 H ASN 24 -2.758 25.088 -8.592 449 HA ASN 24 HA ASN 24 -1.134 25.334 -10.852 450 1HB ASN 24 2HB ASN 24 -0.053 27.168 -9.532 451 2HB ASN 24 1HB ASN 24 -1.811 27.181 -9.396 452 1HD2 ASN 24 1HD2 ASN 24 1.124 26.993 -7.590 453 2HD2 ASN 24 2HD2 ASN 24 0.429 26.646 -6.080 454 H GLU 25 H GLU 25 1.379 25.647 -10.700 455 HA GLU 25 HA GLU 25 2.580 23.432 -9.072 456 1HB GLU 25 2HB GLU 25 2.217 23.662 -11.897 457 2HB GLU 25 1HB GLU 25 3.945 23.792 -11.567 458 1HG GLU 25 2HG GLU 25 2.264 21.636 -10.288 459 2HG GLU 25 1HG GLU 25 2.979 21.417 -11.885 460 H PHE 26 H PHE 26 3.098 25.425 -7.685 461 HA PHE 26 HA PHE 26 4.736 27.573 -8.494 462 1HB PHE 26 2HB PHE 26 3.560 27.041 -6.263 463 2HB PHE 26 1HB PHE 26 4.988 26.084 -5.874 464 HD1 PHE 26 HD1 PHE 26 7.237 27.175 -5.765 465 HD2 PHE 26 HD2 PHE 26 3.615 29.440 -6.226 466 HE1 PHE 26 HE1 PHE 26 8.442 29.238 -5.095 467 HE2 PHE 26 HE2 PHE 26 4.819 31.503 -5.555 468 HZ PHE 26 HZ PHE 26 7.232 31.402 -4.989 469 H TYR 27 H TYR 27 6.643 27.352 -9.614 470 HA TYR 27 HA TYR 27 8.761 25.618 -8.469 471 1HB TYR 27 2HB TYR 27 7.197 24.469 -10.248 472 2HB TYR 27 1HB TYR 27 8.128 25.422 -11.404 473 HD1 TYR 27 HD1 TYR 27 10.425 24.906 -11.898 474 HD2 TYR 27 HD2 TYR 27 8.344 22.817 -8.771 475 HE1 TYR 27 HE1 TYR 27 12.275 23.260 -11.767 476 HE2 TYR 27 HE2 TYR 27 10.195 21.170 -8.640 477 HH TYR 27 HH TYR 27 13.182 21.663 -9.864 478 H ALA 28 HN ALA 28 9.886 27.626 -8.073 479 HA ALA 28 HA ALA 28 11.143 28.776 -10.517 480 1HB ALA 28 1HB ALA 28 9.834 30.609 -10.333 481 2HB ALA 28 2HB ALA 28 10.595 30.933 -8.775 482 3HB ALA 28 3HB ALA 28 9.109 29.987 -8.849 Start of MODEL 10 1 1H ARG 1 1HT ARG 1 14.384 -13.434 -23.251 2 2H ARG 1 2HT ARG 1 14.161 -11.907 -23.961 3 3H ARG 1 3HT ARG 1 12.929 -13.075 -24.044 4 HA ARG 1 HA ARG 1 13.829 -11.530 -21.678 5 1HB ARG 1 2HB ARG 1 12.170 -10.614 -23.302 6 2HB ARG 1 1HB ARG 1 11.159 -12.035 -23.035 7 1HG ARG 1 2HG ARG 1 10.496 -11.343 -20.951 8 2HG ARG 1 1HG ARG 1 12.039 -10.560 -20.606 9 1HD ARG 1 2HD ARG 1 11.059 -9.039 -22.703 10 2HD ARG 1 1HD ARG 1 9.599 -9.409 -21.763 11 HE ARG 1 HE ARG 1 11.664 -8.747 -19.928 12 1HH1 ARG 1 1HH2 ARG 1 11.206 -6.973 -22.676 13 2HH1 ARG 1 2HH2 ARG 1 10.619 -5.542 -21.898 14 1HH2 ARG 1 1HH1 ARG 1 10.279 -7.049 -18.793 15 2HH2 ARG 1 2HH1 ARG 1 10.095 -5.584 -19.699 16 H MET 2 H MET 2 13.389 -12.404 -19.648 17 HA MET 2 HA MET 2 12.500 -15.253 -19.590 18 1HB MET 2 2HB MET 2 14.239 -13.441 -17.975 19 2HB MET 2 1HB MET 2 13.421 -14.746 -17.116 20 1HG MET 2 2HG MET 2 14.305 -16.310 -18.938 21 2HG MET 2 1HG MET 2 15.345 -14.973 -19.436 22 1HE MET 2 1HE MET 2 17.735 -17.331 -17.924 23 2HE MET 2 2HE MET 2 16.431 -17.324 -19.109 24 3HE MET 2 3HE MET 2 16.227 -18.195 -17.591 25 H LYS 3 H LYS 3 10.277 -15.328 -19.339 26 HA LYS 3 HA LYS 3 8.986 -13.395 -17.460 27 1HB LYS 3 2HB LYS 3 7.838 -15.305 -19.523 28 2HB LYS 3 1HB LYS 3 6.939 -14.060 -18.651 29 1HG LYS 3 2HG LYS 3 9.262 -12.866 -19.853 30 2HG LYS 3 1HG LYS 3 8.378 -13.773 -21.083 31 1HD LYS 3 2HD LYS 3 6.713 -12.150 -19.242 32 2HD LYS 3 1HD LYS 3 7.734 -11.238 -20.356 33 1HE LYS 3 2HE LYS 3 6.314 -11.691 -22.059 34 2HE LYS 3 1HE LYS 3 6.491 -13.434 -21.769 35 1HZ LYS 3 1HZ LYS 3 4.206 -12.221 -21.359 36 2HZ LYS 3 2HZ LYS 3 4.919 -11.868 -19.858 37 3HZ LYS 3 3HZ LYS 3 4.725 -13.482 -20.351 38 H LYS 4 H LYS 4 9.435 -16.858 -18.092 39 HA LYS 4 HA LYS 4 7.654 -17.785 -16.007 40 1HB LYS 4 2HB LYS 4 9.669 -18.834 -17.902 41 2HB LYS 4 1HB LYS 4 9.470 -19.791 -16.434 42 1HG LYS 4 2HG LYS 4 7.837 -20.707 -17.843 43 2HG LYS 4 1HG LYS 4 6.910 -19.526 -16.916 44 1HD LYS 4 2HD LYS 4 6.489 -18.268 -18.746 45 2HD LYS 4 1HD LYS 4 8.168 -18.351 -19.281 46 1HE LYS 4 2HE LYS 4 6.383 -20.767 -19.555 47 2HE LYS 4 1HE LYS 4 6.359 -19.485 -20.782 48 1HZ LYS 4 1HZ LYS 4 8.052 -21.203 -21.238 49 2HZ LYS 4 2HZ LYS 4 8.822 -20.808 -19.774 50 3HZ LYS 4 3HZ LYS 4 8.727 -19.662 -21.024 51 H LYS 5 H LYS 5 8.139 -18.294 -13.858 52 HA LYS 5 HA LYS 5 10.871 -18.368 -12.838 53 1HB LYS 5 2HB LYS 5 9.631 -15.867 -13.209 54 2HB LYS 5 1HB LYS 5 9.518 -16.186 -11.478 55 1HG LYS 5 2HG LYS 5 12.037 -16.905 -11.738 56 2HG LYS 5 1HG LYS 5 11.965 -15.910 -13.193 57 1HD LYS 5 2HD LYS 5 10.741 -14.647 -10.835 58 2HD LYS 5 1HD LYS 5 12.471 -14.950 -10.664 59 1HE LYS 5 2HE LYS 5 12.985 -13.293 -12.129 60 2HE LYS 5 1HE LYS 5 11.795 -13.881 -13.308 61 1HZ LYS 5 1HZ LYS 5 10.059 -12.982 -11.740 62 2HZ LYS 5 2HZ LYS 5 10.980 -11.814 -12.563 63 3HZ LYS 5 3HZ LYS 5 11.313 -12.171 -10.935 64 H ASP 6 H ASP 6 10.285 -17.684 -10.159 65 HA ASP 6 HA ASP 6 9.056 -20.050 -9.161 66 1HB ASP 6 2HB ASP 6 9.966 -17.402 -8.149 67 2HB ASP 6 1HB ASP 6 8.874 -18.306 -7.100 68 H GLU 7 H GLU 7 7.699 -16.935 -10.071 69 HA GLU 7 HA GLU 7 4.984 -17.966 -9.310 70 1HB GLU 7 2HB GLU 7 5.978 -16.131 -7.862 71 2HB GLU 7 1HB GLU 7 5.939 -15.088 -9.284 72 1HG GLU 7 2HG GLU 7 3.547 -15.243 -9.438 73 2HG GLU 7 1HG GLU 7 3.493 -16.528 -8.230 74 H GLY 8 H GLY 8 3.276 -17.344 -10.776 75 1HA GLY 8 2HA GLY 8 4.263 -16.711 -13.507 76 2HA GLY 8 1HA GLY 8 2.692 -17.418 -13.125 77 H SER 9 H SER 9 1.100 -15.996 -13.613 78 HA SER 9 HA SER 9 1.324 -13.203 -12.609 79 1HB SER 9 2HB SER 9 1.385 -14.154 -15.412 80 2HB SER 9 1HB SER 9 0.296 -12.805 -15.107 81 HG SER 9 HG SER 9 3.056 -12.940 -15.020 82 H TYR 10 H TYR 10 -0.787 -15.283 -14.640 83 HA TYR 10 HA TYR 10 -3.119 -15.657 -14.516 84 1HB TYR 10 2HB TYR 10 -2.039 -15.419 -11.751 85 2HB TYR 10 1HB TYR 10 -3.794 -15.353 -11.911 86 HD1 TYR 10 HD1 TYR 10 -5.051 -17.320 -12.267 87 HD2 TYR 10 HD2 TYR 10 -0.798 -17.367 -12.877 88 HE1 TYR 10 HE1 TYR 10 -5.120 -19.782 -12.553 89 HE2 TYR 10 HE2 TYR 10 -0.865 -19.830 -13.163 90 HH TYR 10 HH TYR 10 -2.965 -21.528 -13.974 91 H ASP 11 H ASP 11 -3.241 -13.448 -11.792 92 HA ASP 11 HA ASP 11 -4.899 -11.586 -13.434 93 1HB ASP 11 2HB ASP 11 -5.711 -10.868 -11.207 94 2HB ASP 11 1HB ASP 11 -5.849 -12.617 -11.395 95 H LEU 12 H LEU 12 -2.664 -10.824 -14.315 96 HA LEU 12 HA LEU 12 -1.952 -8.344 -12.989 97 1HB LEU 12 2HB LEU 12 -0.833 -10.372 -11.764 98 2HB LEU 12 1HB LEU 12 0.253 -10.385 -13.154 99 HG LEU 12 HG LEU 12 1.216 -9.000 -11.384 100 1HD1 LEU 12 1HD1 LEU 12 0.141 -7.002 -13.353 101 2HD1 LEU 12 2HD1 LEU 12 1.167 -8.316 -13.929 102 3HD1 LEU 12 3HD1 LEU 12 1.781 -7.180 -12.729 103 1HD2 LEU 12 1HD2 LEU 12 -1.122 -7.116 -11.625 104 2HD2 LEU 12 2HD2 LEU 12 0.068 -7.242 -10.329 105 3HD2 LEU 12 3HD2 LEU 12 -1.188 -8.468 -10.496 106 H GLY 13 H GLY 13 -1.596 -7.024 -14.726 107 1HA GLY 13 2HA GLY 13 0.233 -7.886 -16.862 108 2HA GLY 13 1HA GLY 13 -1.427 -7.583 -17.378 109 H LYS 14 H LYS 14 -2.319 -5.385 -16.667 110 HA LYS 14 HA LYS 14 -0.360 -3.315 -17.403 111 1HB LYS 14 2HB LYS 14 -3.176 -3.790 -17.544 112 2HB LYS 14 1HB LYS 14 -2.929 -2.292 -16.645 113 1HG LYS 14 2HG LYS 14 -1.817 -1.252 -18.429 114 2HG LYS 14 1HG LYS 14 -1.415 -2.788 -19.199 115 1HD LYS 14 2HD LYS 14 -4.180 -2.848 -19.123 116 2HD LYS 14 1HD LYS 14 -3.833 -1.151 -19.459 117 1HE LYS 14 2HE LYS 14 -2.556 -1.705 -21.418 118 2HE LYS 14 1HE LYS 14 -2.551 -3.430 -21.000 119 1HZ LYS 14 1HZ LYS 14 -5.053 -3.259 -21.016 120 2HZ LYS 14 2HZ LYS 14 -4.300 -3.158 -22.536 121 3HZ LYS 14 3HZ LYS 14 -4.870 -1.752 -21.772 122 H LYS 15 H LYS 15 0.000 -1.404 -16.057 123 HA LYS 15 HA LYS 15 -0.455 -1.903 -13.131 124 1HB LYS 15 2HB LYS 15 1.894 -0.817 -14.700 125 2HB LYS 15 1HB LYS 15 1.752 -0.591 -12.956 126 1HG LYS 15 2HG LYS 15 1.199 -3.305 -13.357 127 2HG LYS 15 1HG LYS 15 2.548 -2.963 -14.439 128 1HD LYS 15 2HD LYS 15 3.478 -1.666 -12.314 129 2HD LYS 15 1HD LYS 15 2.422 -2.788 -11.456 130 1HE LYS 15 2HE LYS 15 3.794 -4.557 -11.869 131 2HE LYS 15 1HE LYS 15 4.042 -4.072 -13.558 132 1HZ LYS 15 1HZ LYS 15 5.233 -2.652 -11.238 133 2HZ LYS 15 2HZ LYS 15 5.565 -2.389 -12.884 134 3HZ LYS 15 3HZ LYS 15 6.056 -3.833 -12.136 135 HA PRO 16 HA PRO 16 -2.395 2.043 -13.044 136 1HB PRO 16 2HB PRO 16 -1.872 2.770 -10.458 137 2HB PRO 16 1HB PRO 16 -3.062 1.526 -10.891 138 1HG PRO 16 2HG PRO 16 -0.273 1.213 -9.901 139 2HG PRO 16 1HG PRO 16 -1.721 0.272 -9.513 140 1HD PRO 16 2HD PRO 16 0.195 -0.577 -11.254 141 2HD PRO 16 1HD PRO 16 -1.512 -1.061 -11.364 142 H ILE 17 H ILE 17 -1.866 4.335 -12.944 143 HA ILE 17 HA ILE 17 0.871 5.172 -12.368 144 HB ILE 17 HB ILE 17 1.027 6.057 -14.784 145 1HG1 ILE 17 2HG1 ILE 17 -1.013 3.867 -15.232 146 2HG1 ILE 17 1HG1 ILE 17 -1.411 5.586 -15.238 147 1HG2 ILE 17 1HG2 ILE 17 2.152 3.957 -13.688 148 2HG2 ILE 17 2HG2 ILE 17 2.192 4.139 -15.442 149 3HG2 ILE 17 3HG2 ILE 17 1.020 3.054 -14.695 150 1HD1 ILE 17 1HD1 ILE 17 0.898 5.096 -16.906 151 2HD1 ILE 17 2HD1 ILE 17 -0.652 5.812 -17.344 152 3HD1 ILE 17 3HD1 ILE 17 -0.440 4.062 -17.404 153 H TYR 18 H TYR 18 -0.537 6.458 -10.867 154 HA TYR 18 HA TYR 18 -2.259 8.509 -12.126 155 1HB TYR 18 2HB TYR 18 -2.541 7.079 -9.913 156 2HB TYR 18 1HB TYR 18 -1.563 8.365 -9.210 157 HD1 TYR 18 HD1 TYR 18 -2.627 10.291 -8.428 158 HD2 TYR 18 HD2 TYR 18 -4.545 7.900 -11.442 159 HE1 TYR 18 HE1 TYR 18 -4.632 11.748 -8.309 160 HE2 TYR 18 HE2 TYR 18 -6.548 9.358 -11.324 161 HH TYR 18 HH TYR 18 -7.112 11.508 -8.825 162 H LYS 19 H LYS 19 -1.313 10.387 -12.812 163 HA LYS 19 HA LYS 19 0.173 12.157 -11.203 164 1HB LYS 19 2HB LYS 19 1.642 9.865 -12.189 165 2HB LYS 19 1HB LYS 19 2.331 11.347 -12.850 166 1HG LYS 19 2HG LYS 19 2.887 12.190 -10.756 167 2HG LYS 19 1HG LYS 19 1.638 11.251 -9.936 168 1HD LYS 19 2HD LYS 19 2.959 9.169 -10.517 169 2HD LYS 19 1HD LYS 19 4.258 10.231 -11.060 170 1HE LYS 19 2HE LYS 19 3.177 10.867 -8.373 171 2HE LYS 19 1HE LYS 19 4.056 9.330 -8.496 172 1HZ LYS 19 1HZ LYS 19 5.779 10.597 -9.780 173 2HZ LYS 19 2HZ LYS 19 5.677 10.998 -8.131 174 3HZ LYS 19 3HZ LYS 19 4.999 12.025 -9.302 175 H LYS 20 H LYS 20 0.283 14.115 -12.306 176 HA LYS 20 HA LYS 20 0.402 14.132 -15.269 177 1HB LYS 20 2HB LYS 20 -2.013 14.283 -13.733 178 2HB LYS 20 1HB LYS 20 -1.740 15.855 -14.486 179 1HG LYS 20 2HG LYS 20 -1.137 14.244 -16.573 180 2HG LYS 20 1HG LYS 20 -2.318 13.229 -15.746 181 1HD LYS 20 2HD LYS 20 -3.640 15.558 -15.615 182 2HD LYS 20 1HD LYS 20 -2.689 15.877 -17.065 183 1HE LYS 20 2HE LYS 20 -3.516 13.408 -17.702 184 2HE LYS 20 1HE LYS 20 -4.857 13.868 -16.634 185 1HZ LYS 20 1HZ LYS 20 -5.171 14.589 -18.974 186 2HZ LYS 20 2HZ LYS 20 -3.803 15.584 -18.818 187 3HZ LYS 20 3HZ LYS 20 -5.180 15.873 -17.866 188 H ALA 21 H ALA 21 0.072 16.670 -15.891 189 HA ALA 21 HA ALA 21 1.306 18.446 -13.859 190 1HB ALA 21 1HB ALA 21 3.227 18.904 -15.269 191 2HB ALA 21 2HB ALA 21 2.558 17.923 -16.573 192 3HB ALA 21 3HB ALA 21 3.105 17.155 -15.083 193 HA PRO 22 HA PRO 22 -1.650 20.353 -16.945 194 1HB PRO 22 2HB PRO 22 -3.582 21.079 -15.152 195 2HB PRO 22 1HB PRO 22 -3.561 19.500 -15.961 196 1HG PRO 22 2HG PRO 22 -2.725 20.223 -13.203 197 2HG PRO 22 1HG PRO 22 -3.532 18.763 -13.793 198 1HD PRO 22 2HD PRO 22 -0.858 18.911 -13.201 199 2HD PRO 22 1HD PRO 22 -1.566 17.747 -14.342 200 H THR 23 H THR 23 -2.474 22.712 -16.786 201 HA THR 23 HA THR 23 -0.697 24.317 -14.975 202 HB THR 23 HB THR 23 -0.634 25.908 -16.970 203 HG1 THR 23 HG1 THR 23 -1.561 23.627 -18.360 204 1HG2 THR 23 1HG2 THR 23 0.451 23.115 -17.427 205 2HG2 THR 23 2HG2 THR 23 1.213 24.340 -16.412 206 3HG2 THR 23 3HG2 THR 23 1.064 24.602 -18.149 207 H ASN 24 H ASN 24 -2.552 24.553 -13.515 208 HA ASN 24 HA ASN 24 -4.538 25.584 -12.747 209 1HB ASN 24 2HB ASN 24 -2.771 27.371 -13.889 210 2HB ASN 24 1HB ASN 24 -4.281 27.757 -14.715 211 1HD2 ASN 24 1HD2 ASN 24 -2.945 27.275 -11.407 212 2HD2 ASN 24 2HD2 ASN 24 -4.032 28.336 -10.650 213 H GLU 25 H GLU 25 -5.478 23.638 -14.190 214 HA GLU 25 HA GLU 25 -7.095 24.719 -16.455 215 1HB GLU 25 2HB GLU 25 -5.557 22.469 -16.147 216 2HB GLU 25 1HB GLU 25 -7.164 21.845 -15.774 217 1HG GLU 25 2HG GLU 25 -8.035 22.647 -17.887 218 2HG GLU 25 1HG GLU 25 -6.519 23.476 -18.245 219 H PHE 26 H PHE 26 -9.128 25.381 -15.872 220 HA PHE 26 HA PHE 26 -10.699 23.670 -14.000 221 1HB PHE 26 2HB PHE 26 -9.404 25.972 -13.209 222 2HB PHE 26 1HB PHE 26 -11.010 26.577 -13.617 223 HD1 PHE 26 HD1 PHE 26 -12.470 26.684 -11.813 224 HD2 PHE 26 HD2 PHE 26 -9.609 23.482 -12.001 225 HE1 PHE 26 HE1 PHE 26 -13.357 25.767 -9.686 226 HE2 PHE 26 HE2 PHE 26 -10.497 22.565 -9.874 227 HZ PHE 26 HZ PHE 26 -12.371 23.706 -8.716 228 H TYR 27 H TYR 27 -11.911 23.083 -15.938 229 HA TYR 27 HA TYR 27 -13.878 25.180 -16.735 230 1HB TYR 27 2HB TYR 27 -11.674 24.521 -18.253 231 2HB TYR 27 1HB TYR 27 -12.911 23.456 -18.921 232 HD1 TYR 27 HD1 TYR 27 -14.645 24.302 -20.307 233 HD2 TYR 27 HD2 TYR 27 -12.158 27.012 -18.082 234 HE1 TYR 27 HE1 TYR 27 -15.630 26.218 -21.539 235 HE2 TYR 27 HE2 TYR 27 -13.143 28.927 -19.314 236 HH TYR 27 HH TYR 27 -14.313 29.142 -21.745 237 H ALA 28 HN ALA 28 -14.955 23.536 -15.106 238 HA ALA 28 HA ALA 28 -15.698 20.942 -16.301 239 1HB ALA 28 1HB ALA 28 -15.459 20.724 -14.019 240 2HB ALA 28 2HB ALA 28 -17.168 21.162 -14.051 241 3HB ALA 28 3HB ALA 28 -15.949 22.390 -13.708 242 1H ARG 1 1HT ARG 1 -20.236 -13.973 -8.250 243 2H ARG 1 2HT ARG 1 -19.952 -12.628 -7.251 244 3H ARG 1 3HT ARG 1 -18.788 -13.861 -7.372 245 HA ARG 1 HA ARG 1 -19.529 -11.837 -9.409 246 1HB ARG 1 2HB ARG 1 -17.874 -11.353 -7.603 247 2HB ARG 1 1HB ARG 1 -16.934 -12.750 -8.125 248 1HG ARG 1 2HG ARG 1 -16.170 -11.706 -10.019 249 2HG ARG 1 1HG ARG 1 -17.658 -10.784 -10.234 250 1HD ARG 1 2HD ARG 1 -16.664 -9.759 -7.860 251 2HD ARG 1 1HD ARG 1 -15.199 -10.023 -8.825 252 HE ARG 1 HE ARG 1 -17.166 -8.897 -10.537 253 1HH1 ARG 1 1HH2 ARG 1 -16.700 -7.722 -7.484 254 2HH1 ARG 1 2HH2 ARG 1 -16.014 -6.203 -7.955 255 1HH2 ARG 1 1HH1 ARG 1 -15.659 -7.094 -11.287 256 2HH2 ARG 1 2HH1 ARG 1 -15.424 -5.848 -10.108 257 H MET 2 H MET 2 -19.076 -12.324 -11.562 258 HA MET 2 HA MET 2 -18.338 -15.155 -12.158 259 1HB MET 2 2HB MET 2 -19.924 -12.965 -13.424 260 2HB MET 2 1HB MET 2 -19.152 -14.126 -14.505 261 1HG MET 2 2HG MET 2 -20.179 -15.955 -13.040 262 2HG MET 2 1HG MET 2 -21.159 -14.682 -12.313 263 1HE MET 2 1HE MET 2 -23.623 -16.557 -14.305 264 2HE MET 2 2HE MET 2 -22.357 -16.856 -13.116 265 3HE MET 2 3HE MET 2 -22.154 -17.426 -14.771 266 H LYS 3 H LYS 3 -16.114 -15.311 -12.383 267 HA LYS 3 HA LYS 3 -14.666 -13.123 -13.815 268 1HB LYS 3 2HB LYS 3 -13.684 -15.460 -12.142 269 2HB LYS 3 1HB LYS 3 -12.695 -14.123 -12.735 270 1HG LYS 3 2HG LYS 3 -14.986 -13.053 -11.370 271 2HG LYS 3 1HG LYS 3 -14.193 -14.231 -10.324 272 1HD LYS 3 2HD LYS 3 -12.384 -12.383 -11.776 273 2HD LYS 3 1HD LYS 3 -13.388 -11.647 -10.525 274 1HE LYS 3 2HE LYS 3 -12.050 -12.507 -8.916 275 2HE LYS 3 1HE LYS 3 -12.312 -14.146 -9.547 276 1HZ LYS 3 1HZ LYS 3 -9.953 -13.011 -9.665 277 2HZ LYS 3 2HZ LYS 3 -10.601 -12.334 -11.083 278 3HZ LYS 3 3HZ LYS 3 -10.507 -14.021 -10.909 279 H LYS 4 H LYS 4 -15.319 -16.609 -13.882 280 HA LYS 4 HA LYS 4 -13.524 -17.218 -16.069 281 1HB LYS 4 2HB LYS 4 -15.650 -18.494 -14.456 282 2HB LYS 4 1HB LYS 4 -15.458 -19.158 -16.079 283 1HG LYS 4 2HG LYS 4 -13.924 -20.426 -14.844 284 2HG LYS 4 1HG LYS 4 -12.905 -19.146 -15.506 285 1HD LYS 4 2HD LYS 4 -12.472 -18.294 -13.457 286 2HD LYS 4 1HD LYS 4 -14.169 -18.378 -12.981 287 1HE LYS 4 2HE LYS 4 -12.525 -20.903 -13.150 288 2HE LYS 4 1HE LYS 4 -12.471 -19.887 -11.696 289 1HZ LYS 4 1HZ LYS 4 -14.267 -21.560 -11.621 290 2HZ LYS 4 2HZ LYS 4 -14.968 -20.843 -12.993 291 3HZ LYS 4 3HZ LYS 4 -14.851 -19.970 -11.541 292 H LYS 5 H LYS 5 -13.966 -17.270 -18.286 293 HA LYS 5 HA LYS 5 -16.666 -16.985 -19.356 294 1HB LYS 5 2HB LYS 5 -15.305 -14.682 -18.479 295 2HB LYS 5 1HB LYS 5 -15.157 -14.665 -20.237 296 1HG LYS 5 2HG LYS 5 -17.718 -15.271 -20.170 297 2HG LYS 5 1HG LYS 5 -17.637 -14.584 -18.548 298 1HD LYS 5 2HD LYS 5 -16.275 -12.960 -20.586 299 2HD LYS 5 1HD LYS 5 -18.012 -13.122 -20.850 300 1HE LYS 5 2HE LYS 5 -18.484 -11.756 -19.101 301 2HE LYS 5 1HE LYS 5 -17.365 -12.629 -18.035 302 1HZ LYS 5 1HZ LYS 5 -15.537 -11.545 -19.362 303 2HZ LYS 5 2HZ LYS 5 -16.418 -10.508 -18.345 304 3HZ LYS 5 3HZ LYS 5 -16.719 -10.521 -20.017 305 H ASP 6 H ASP 6 -15.963 -15.827 -21.836 306 HA ASP 6 HA ASP 6 -14.836 -18.019 -23.257 307 1HB ASP 6 2HB ASP 6 -15.572 -15.177 -23.743 308 2HB ASP 6 1HB ASP 6 -14.497 -15.919 -24.930 309 H GLU 7 H GLU 7 -13.339 -15.228 -21.725 310 HA GLU 7 HA GLU 7 -10.662 -16.248 -22.620 311 1HB GLU 7 2HB GLU 7 -11.511 -14.110 -23.696 312 2HB GLU 7 1HB GLU 7 -11.458 -13.370 -22.096 313 1HG GLU 7 2HG GLU 7 -9.085 -13.692 -21.930 314 2HG GLU 7 1HG GLU 7 -9.063 -14.717 -23.365 315 H GLY 8 H GLY 8 -8.969 -16.025 -21.026 316 1HA GLY 8 2HA GLY 8 -10.005 -15.879 -18.245 317 2HA GLY 8 1HA GLY 8 -8.463 -16.588 -18.726 318 H SER 9 H SER 9 -6.814 -15.383 -17.936 319 HA SER 9 HA SER 9 -6.858 -12.440 -18.379 320 1HB SER 9 2HB SER 9 -7.056 -13.911 -15.817 321 2HB SER 9 1HB SER 9 -5.887 -12.594 -15.831 322 HG SER 9 HG SER 9 -8.647 -12.551 -15.999 323 H TYR 10 H TYR 10 -4.924 -14.992 -16.752 324 HA TYR 10 HA TYR 10 -2.614 -15.473 -16.902 325 1HB TYR 10 2HB TYR 10 -3.593 -14.639 -19.586 326 2HB TYR 10 1HB TYR 10 -1.842 -14.708 -19.381 327 HD1 TYR 10 HD1 TYR 10 -0.703 -16.776 -19.393 328 HD2 TYR 10 HD2 TYR 10 -4.970 -16.692 -18.890 329 HE1 TYR 10 HE1 TYR 10 -0.775 -19.248 -19.592 330 HE2 TYR 10 HE2 TYR 10 -5.043 -19.164 -19.088 331 HH TYR 10 HH TYR 10 -3.062 -21.107 -18.584 332 H ASP 11 H ASP 11 -2.290 -12.787 -19.136 333 HA ASP 11 HA ASP 11 -0.584 -11.382 -17.128 334 1HB ASP 11 2HB ASP 11 0.334 -10.293 -19.154 335 2HB ASP 11 1HB ASP 11 0.371 -12.050 -19.311 336 H LEU 12 H LEU 12 -2.803 -10.677 -16.159 337 HA LEU 12 HA LEU 12 -3.338 -7.949 -16.986 338 1HB LEU 12 2HB LEU 12 -4.526 -9.630 -18.607 339 2HB LEU 12 1HB LEU 12 -5.654 -9.849 -17.269 340 HG LEU 12 HG LEU 12 -6.486 -8.093 -18.752 341 1HD1 LEU 12 1HD1 LEU 12 -5.368 -6.584 -16.409 342 2HD1 LEU 12 2HD1 LEU 12 -6.479 -7.922 -16.123 343 3HD1 LEU 12 3HD1 LEU 12 -6.995 -6.540 -17.089 344 1HD2 LEU 12 1HD2 LEU 12 -4.060 -6.431 -18.100 345 2HD2 LEU 12 2HD2 LEU 12 -5.215 -6.234 -19.419 346 3HD2 LEU 12 3HD2 LEU 12 -4.031 -7.541 -19.471 347 H GLY 13 H GLY 13 -3.681 -6.972 -15.033 348 1HA GLY 13 2HA GLY 13 -5.617 -8.125 -13.142 349 2HA GLY 13 1HA GLY 13 -3.961 -8.024 -12.545 350 H LYS 14 H LYS 14 -2.931 -5.786 -12.795 351 HA LYS 14 HA LYS 14 -4.798 -3.788 -11.705 352 1HB LYS 14 2HB LYS 14 -2.019 -4.446 -11.606 353 2HB LYS 14 1HB LYS 14 -2.157 -2.790 -12.198 354 1HG LYS 14 2HG LYS 14 -3.263 -2.054 -10.266 355 2HG LYS 14 1HG LYS 14 -3.773 -3.682 -9.822 356 1HD LYS 14 2HD LYS 14 -1.016 -3.898 -9.855 357 2HD LYS 14 1HD LYS 14 -1.273 -2.280 -9.200 358 1HE LYS 14 2HE LYS 14 -2.644 -3.122 -7.411 359 2HE LYS 14 1HE LYS 14 -2.728 -4.731 -8.156 360 1HZ LYS 14 1HZ LYS 14 -0.222 -4.711 -8.059 361 2HZ LYS 14 2HZ LYS 14 -1.015 -4.864 -6.564 362 3HZ LYS 14 3HZ LYS 14 -0.348 -3.371 -7.027 363 H LYS 15 H LYS 15 -5.007 -1.627 -12.655 364 HA LYS 15 HA LYS 15 -4.488 -1.572 -15.613 365 1HB LYS 15 2HB LYS 15 -6.827 -0.677 -13.914 366 2HB LYS 15 1HB LYS 15 -6.616 -0.129 -15.578 367 1HG LYS 15 2HG LYS 15 -6.223 -2.897 -15.701 368 2HG LYS 15 1HG LYS 15 -7.584 -2.692 -14.598 369 1HD LYS 15 2HD LYS 15 -8.382 -0.958 -16.446 370 2HD LYS 15 1HD LYS 15 -7.359 -1.947 -17.489 371 1HE LYS 15 2HE LYS 15 -8.833 -3.685 -17.456 372 2HE LYS 15 1HE LYS 15 -9.109 -3.524 -15.710 373 1HZ LYS 15 1HZ LYS 15 -10.150 -1.613 -17.731 374 2HZ LYS 15 2HZ LYS 15 -10.518 -1.656 -16.073 375 3HZ LYS 15 3HZ LYS 15 -11.062 -2.897 -17.099 376 HA PRO 16 HA PRO 16 -2.346 2.201 -14.890 377 1HB PRO 16 2HB PRO 16 -2.748 3.440 -17.297 378 2HB PRO 16 1HB PRO 16 -1.641 2.068 -17.088 379 1HG PRO 16 2HG PRO 16 -4.411 2.114 -18.178 380 2HG PRO 16 1HG PRO 16 -3.003 1.180 -18.709 381 1HD PRO 16 2HD PRO 16 -5.019 0.132 -17.205 382 2HD PRO 16 1HD PRO 16 -3.347 -0.468 -17.159 383 H ILE 17 H ILE 17 -2.748 4.485 -14.530 384 HA ILE 17 HA ILE 17 -5.415 5.587 -14.988 385 HB ILE 17 HB ILE 17 -5.591 5.986 -12.450 386 1HG1 ILE 17 2HG1 ILE 17 -3.681 3.639 -12.413 387 2HG1 ILE 17 1HG1 ILE 17 -3.197 5.297 -12.051 388 1HG2 ILE 17 1HG2 ILE 17 -6.792 4.210 -13.962 389 2HG2 ILE 17 2HG2 ILE 17 -6.878 4.049 -12.209 390 3HG2 ILE 17 3HG2 ILE 17 -5.741 3.064 -13.131 391 1HD1 ILE 17 1HD1 ILE 17 -5.578 4.610 -10.562 392 2HD1 ILE 17 2HD1 ILE 17 -4.006 5.135 -9.959 393 3HD1 ILE 17 3HD1 ILE 17 -4.309 3.424 -10.259 394 H TYR 18 H TYR 18 -3.899 7.048 -16.188 395 HA TYR 18 HA TYR 18 -2.118 8.733 -14.531 396 1HB TYR 18 2HB TYR 18 -1.840 7.726 -16.969 397 2HB TYR 18 1HB TYR 18 -2.722 9.181 -17.433 398 HD1 TYR 18 HD1 TYR 18 -1.538 11.163 -17.782 399 HD2 TYR 18 HD2 TYR 18 0.168 8.108 -15.290 400 HE1 TYR 18 HE1 TYR 18 0.545 12.495 -17.575 401 HE2 TYR 18 HE2 TYR 18 2.250 9.440 -15.080 402 HH TYR 18 HH TYR 18 3.003 12.001 -17.081 403 H LYS 19 H LYS 19 -2.991 10.466 -13.506 404 HA LYS 19 HA LYS 19 -4.332 12.603 -14.765 405 1HB LYS 19 2HB LYS 19 -5.944 10.250 -14.270 406 2HB LYS 19 1HB LYS 19 -6.573 11.616 -13.347 407 1HG LYS 19 2HG LYS 19 -7.022 12.874 -15.248 408 2HG LYS 19 1HG LYS 19 -5.795 12.048 -16.209 409 1HD LYS 19 2HD LYS 19 -7.233 9.967 -16.079 410 2HD LYS 19 1HD LYS 19 -8.496 10.971 -15.367 411 1HE LYS 19 2HE LYS 19 -7.294 12.055 -17.852 412 2HE LYS 19 1HE LYS 19 -8.262 10.580 -18.050 413 1HZ LYS 19 1HZ LYS 19 -9.950 11.676 -16.579 414 2HZ LYS 19 2HZ LYS 19 -9.775 12.382 -18.113 415 3HZ LYS 19 3HZ LYS 19 -9.077 13.120 -16.751 416 H LYS 20 H LYS 20 -4.341 14.310 -13.303 417 HA LYS 20 HA LYS 20 -4.547 13.751 -10.397 418 1HB LYS 20 2HB LYS 20 -2.088 14.063 -11.830 419 2HB LYS 20 1HB LYS 20 -2.301 15.471 -10.787 420 1HG LYS 20 2HG LYS 20 -3.052 13.520 -9.071 421 2HG LYS 20 1HG LYS 20 -1.899 12.621 -10.056 422 1HD LYS 20 2HD LYS 20 -0.455 14.848 -9.697 423 2HD LYS 20 1HD LYS 20 -1.437 14.934 -8.233 424 1HE LYS 20 2HE LYS 20 -0.763 12.345 -8.074 425 2HE LYS 20 1HE LYS 20 0.636 12.922 -9.002 426 1HZ LYS 20 1HZ LYS 20 0.911 13.157 -6.561 427 2HZ LYS 20 2HZ LYS 20 -0.397 14.242 -6.548 428 3HZ LYS 20 3HZ LYS 20 1.024 14.630 -7.396 429 H ALA 21 H ALA 21 -4.112 16.096 -9.278 430 HA ALA 21 HA ALA 21 -5.187 18.303 -10.945 431 1HB ALA 21 1HB ALA 21 -7.124 18.590 -9.514 432 2HB ALA 21 2HB ALA 21 -6.551 17.337 -8.413 433 3HB ALA 21 3HB ALA 21 -7.089 16.905 -10.036 434 HA PRO 22 HA PRO 22 -2.230 19.401 -7.488 435 1HB PRO 22 2HB PRO 22 -0.210 20.348 -9.069 436 2HB PRO 22 1HB PRO 22 -0.338 18.647 -8.583 437 1HG PRO 22 2HG PRO 22 -1.052 19.936 -11.163 438 2HG PRO 22 1HG PRO 22 -0.341 18.345 -10.853 439 1HD PRO 22 2HD PRO 22 -2.985 18.760 -11.455 440 2HD PRO 22 1HD PRO 22 -2.375 17.357 -10.550 441 H THR 23 H THR 23 -1.279 21.693 -7.166 442 HA THR 23 HA THR 23 -2.910 23.720 -8.664 443 HB THR 23 HB THR 23 -2.953 24.893 -6.398 444 HG1 THR 23 HG1 THR 23 -2.192 22.334 -5.465 445 1HG2 THR 23 1HG2 THR 23 -4.196 22.132 -6.521 446 2HG2 THR 23 2HG2 THR 23 -4.859 23.572 -7.291 447 3HG2 THR 23 3HG2 THR 23 -4.755 23.482 -5.534 448 H ASN 24 H ASN 24 -1.001 24.126 -10.010 449 HA ASN 24 HA ASN 24 1.060 25.170 -10.523 450 1HB ASN 24 2HB ASN 24 -0.644 26.799 -9.090 451 2HB ASN 24 1HB ASN 24 0.858 26.930 -8.173 452 1HD2 ASN 24 1HD2 ASN 24 -0.399 27.179 -11.537 453 2HD2 ASN 24 2HD2 ASN 24 0.766 28.301 -12.050 454 H GLU 25 H GLU 25 1.847 22.929 -9.469 455 HA GLU 25 HA GLU 25 3.452 23.452 -7.008 456 1HB GLU 25 2HB GLU 25 1.805 21.398 -7.782 457 2HB GLU 25 1HB GLU 25 3.388 20.765 -8.237 458 1HG GLU 25 2HG GLU 25 4.233 21.090 -5.989 459 2HG GLU 25 1HG GLU 25 2.754 21.921 -5.507 460 H PHE 26 H PHE 26 5.534 24.093 -7.408 461 HA PHE 26 HA PHE 26 7.068 22.693 -9.547 462 1HB PHE 26 2HB PHE 26 5.924 25.177 -9.896 463 2HB PHE 26 1HB PHE 26 7.548 25.594 -9.346 464 HD1 PHE 26 HD1 PHE 26 9.065 25.965 -11.065 465 HD2 PHE 26 HD2 PHE 26 6.032 22.962 -11.564 466 HE1 PHE 26 HE1 PHE 26 9.968 25.428 -13.313 467 HE2 PHE 26 HE2 PHE 26 6.935 22.424 -13.812 468 HZ PHE 26 HZ PHE 26 8.902 23.657 -14.687 469 H TYR 27 H TYR 27 8.186 21.669 -7.739 470 HA TYR 27 HA TYR 27 10.234 23.454 -6.505 471 1HB TYR 27 2HB TYR 27 7.952 22.640 -5.189 472 2HB TYR 27 1HB TYR 27 9.110 21.395 -4.719 473 HD1 TYR 27 HD1 TYR 27 10.843 21.852 -3.161 474 HD2 TYR 27 HD2 TYR 27 8.575 25.083 -4.861 475 HE1 TYR 27 HE1 TYR 27 11.892 23.431 -1.559 476 HE2 TYR 27 HE2 TYR 27 9.625 26.662 -3.260 477 HH TYR 27 HH TYR 27 10.727 26.331 -0.809 478 H ALA 28 HN ALA 28 11.272 22.095 -8.404 479 HA ALA 28 HA ALA 28 11.842 19.281 -7.724 480 1HB ALA 28 1HB ALA 28 11.663 19.526 -10.010 481 2HB ALA 28 2HB ALA 28 13.390 19.849 -9.859 482 3HB ALA 28 3HB ALA 28 12.249 21.189 -9.979 Start of MODEL 11 1 1H ARG 1 1HT ARG 1 -13.753 -21.257 6.296 2 2H ARG 1 2HT ARG 1 -13.219 -21.167 4.685 3 3H ARG 1 3HT ARG 1 -12.097 -21.107 5.960 4 HA ARG 1 HA ARG 1 -12.656 -23.397 6.579 5 1HB ARG 1 2HB ARG 1 -14.678 -22.768 4.468 6 2HB ARG 1 1HB ARG 1 -14.106 -24.434 4.575 7 1HG ARG 1 2HG ARG 1 -15.082 -24.784 6.619 8 2HG ARG 1 1HG ARG 1 -14.824 -23.120 7.143 9 1HD ARG 1 2HD ARG 1 -16.871 -22.457 6.394 10 2HD ARG 1 1HD ARG 1 -16.700 -23.367 4.879 11 HE ARG 1 HE ARG 1 -16.999 -25.149 7.141 12 1HH1 ARG 1 1HH1 ARG 1 -18.297 -24.566 4.213 13 2HH1 ARG 1 2HH1 ARG 1 -19.960 -24.741 4.663 14 1HH2 ARG 1 1HH2 ARG 1 -19.313 -24.727 8.071 15 2HH2 ARG 1 2HH2 ARG 1 -20.536 -24.832 6.848 16 H MET 2 H MET 2 -10.830 -24.499 5.984 17 HA MET 2 HA MET 2 -8.951 -25.137 4.691 18 1HB MET 2 2HB MET 2 -11.352 -25.209 2.862 19 2HB MET 2 1HB MET 2 -9.762 -25.713 2.285 20 1HG MET 2 2HG MET 2 -10.350 -26.872 4.885 21 2HG MET 2 1HG MET 2 -11.591 -27.290 3.705 22 1HE MET 2 1HE MET 2 -7.285 -27.851 4.059 23 2HE MET 2 2HE MET 2 -8.126 -29.227 4.768 24 3HE MET 2 3HE MET 2 -8.580 -27.591 5.236 25 H LYS 3 H LYS 3 -7.931 -24.569 2.323 26 HA LYS 3 HA LYS 3 -7.097 -21.857 2.401 27 1HB LYS 3 2HB LYS 3 -7.207 -23.768 0.043 28 2HB LYS 3 1HB LYS 3 -6.107 -22.402 0.229 29 1HG LYS 3 2HG LYS 3 -5.731 -23.831 2.575 30 2HG LYS 3 1HG LYS 3 -5.931 -25.096 1.363 31 1HD LYS 3 2HD LYS 3 -4.031 -22.750 1.084 32 2HD LYS 3 1HD LYS 3 -3.552 -24.361 1.620 33 1HE LYS 3 2HE LYS 3 -3.792 -25.283 -0.488 34 2HE LYS 3 1HE LYS 3 -5.093 -24.162 -0.941 35 1HZ LYS 3 1HZ LYS 3 -2.248 -23.398 -0.534 36 2HZ LYS 3 2HZ LYS 3 -3.506 -22.363 -1.018 37 3HZ LYS 3 3HZ LYS 3 -2.986 -23.611 -2.046 38 H LYS 4 H LYS 4 -9.596 -23.436 0.388 39 HA LYS 4 HA LYS 4 -11.305 -22.487 -0.943 40 1HB LYS 4 2HB LYS 4 -11.523 -21.677 1.595 41 2HB LYS 4 1HB LYS 4 -11.222 -20.102 0.860 42 1HG LYS 4 2HG LYS 4 -13.128 -20.300 -0.572 43 2HG LYS 4 1HG LYS 4 -13.325 -22.009 -0.182 44 1HD LYS 4 2HD LYS 4 -14.092 -21.544 2.005 45 2HD LYS 4 1HD LYS 4 -13.477 -19.890 1.960 46 1HE LYS 4 2HE LYS 4 -15.725 -19.471 1.537 47 2HE LYS 4 1HE LYS 4 -15.172 -19.744 -0.127 48 1HZ LYS 4 1HZ LYS 4 -16.216 -21.842 1.702 49 2HZ LYS 4 2HZ LYS 4 -15.695 -22.084 0.103 50 3HZ LYS 4 3HZ LYS 4 -17.081 -21.152 0.417 51 H LYS 5 H LYS 5 -9.777 -22.072 -2.745 52 HA LYS 5 HA LYS 5 -8.987 -19.189 -2.997 53 1HB LYS 5 2HB LYS 5 -7.360 -21.285 -3.020 54 2HB LYS 5 1HB LYS 5 -7.896 -21.410 -4.696 55 1HG LYS 5 2HG LYS 5 -6.986 -19.338 -5.282 56 2HG LYS 5 1HG LYS 5 -6.987 -18.756 -3.618 57 1HD LYS 5 2HD LYS 5 -5.202 -20.371 -3.053 58 2HD LYS 5 1HD LYS 5 -5.189 -20.933 -4.726 59 1HE LYS 5 2HE LYS 5 -4.570 -18.654 -5.488 60 2HE LYS 5 1HE LYS 5 -4.548 -18.109 -3.798 61 1HZ LYS 5 1HZ LYS 5 -2.917 -20.316 -4.942 62 2HZ LYS 5 2HZ LYS 5 -2.939 -19.860 -3.306 63 3HZ LYS 5 3HZ LYS 5 -2.338 -18.791 -4.480 64 H ASP 6 H ASP 6 -10.095 -18.040 -4.535 65 HA ASP 6 HA ASP 6 -11.342 -19.539 -6.811 66 1HB ASP 6 2HB ASP 6 -12.893 -18.964 -4.869 67 2HB ASP 6 1HB ASP 6 -12.625 -17.267 -5.271 68 H GLU 7 H GLU 7 -8.930 -18.270 -7.183 69 HA GLU 7 HA GLU 7 -9.554 -15.563 -8.279 70 1HB GLU 7 2HB GLU 7 -7.561 -16.394 -6.673 71 2HB GLU 7 1HB GLU 7 -6.807 -16.726 -8.233 72 1HG GLU 7 2HG GLU 7 -7.523 -14.337 -8.885 73 2HG GLU 7 1HG GLU 7 -7.795 -14.084 -7.161 74 H GLY 8 H GLY 8 -9.022 -15.088 -10.488 75 1HA GLY 8 2HA GLY 8 -9.353 -17.316 -12.321 76 2HA GLY 8 1HA GLY 8 -9.083 -15.634 -12.780 77 H SER 9 H SER 9 -7.750 -17.549 -14.213 78 HA SER 9 HA SER 9 -5.133 -18.198 -13.152 79 1HB SER 9 2HB SER 9 -6.735 -18.554 -15.552 80 2HB SER 9 1HB SER 9 -5.062 -18.189 -15.961 81 HG SER 9 HG SER 9 -5.028 -20.325 -15.624 82 H TYR 10 H TYR 10 -6.501 -15.410 -14.761 83 HA TYR 10 HA TYR 10 -3.764 -14.230 -15.077 84 1HB TYR 10 2HB TYR 10 -6.427 -13.484 -16.330 85 2HB TYR 10 1HB TYR 10 -4.858 -12.798 -16.749 86 HD1 TYR 10 HD1 TYR 10 -3.623 -13.753 -18.490 87 HD2 TYR 10 HD2 TYR 10 -6.599 -16.113 -16.480 88 HE1 TYR 10 HE1 TYR 10 -3.240 -15.605 -20.096 89 HE2 TYR 10 HE2 TYR 10 -6.216 -17.964 -18.085 90 HH TYR 10 HH TYR 10 -5.325 -18.125 -20.524 91 H ASP 11 H ASP 11 -3.255 -12.563 -13.695 92 HA ASP 11 HA ASP 11 -5.379 -10.793 -12.666 93 1HB ASP 11 2HB ASP 11 -4.981 -13.027 -11.281 94 2HB ASP 11 1HB ASP 11 -3.611 -12.117 -10.641 95 H LEU 12 H LEU 12 -2.942 -10.514 -14.312 96 HA LEU 12 HA LEU 12 -1.847 -8.157 -13.046 97 1HB LEU 12 2HB LEU 12 -0.856 -10.312 -11.913 98 2HB LEU 12 1HB LEU 12 0.137 -10.388 -13.370 99 HG LEU 12 HG LEU 12 -0.048 -8.074 -11.422 100 1HD1 LEU 12 1HD1 LEU 12 2.561 -9.218 -12.152 101 2HD1 LEU 12 2HD1 LEU 12 1.499 -10.354 -11.318 102 3HD1 LEU 12 3HD1 LEU 12 1.915 -8.816 -10.561 103 1HD2 LEU 12 1HD2 LEU 12 1.683 -7.040 -12.920 104 2HD2 LEU 12 2HD2 LEU 12 0.104 -7.201 -13.690 105 3HD2 LEU 12 3HD2 LEU 12 1.395 -8.337 -14.079 106 H GLY 13 H GLY 13 -1.557 -6.881 -14.836 107 1HA GLY 13 2HA GLY 13 0.103 -7.841 -17.051 108 2HA GLY 13 1HA GLY 13 -1.581 -7.551 -17.493 109 H LYS 14 H LYS 14 -2.263 -5.296 -16.162 110 HA LYS 14 HA LYS 14 -0.426 -3.269 -17.357 111 1HB LYS 14 2HB LYS 14 -3.294 -3.680 -17.072 112 2HB LYS 14 1HB LYS 14 -2.820 -2.078 -16.507 113 1HG LYS 14 2HG LYS 14 -1.730 -1.589 -18.614 114 2HG LYS 14 1HG LYS 14 -1.980 -3.241 -19.177 115 1HD LYS 14 2HD LYS 14 -4.535 -2.525 -18.533 116 2HD LYS 14 1HD LYS 14 -3.880 -0.979 -19.073 117 1HE LYS 14 2HE LYS 14 -4.405 -1.759 -21.165 118 2HE LYS 14 1HE LYS 14 -2.909 -2.700 -20.997 119 1HZ LYS 14 1HZ LYS 14 -4.229 -4.428 -19.857 120 2HZ LYS 14 2HZ LYS 14 -4.709 -4.198 -21.471 121 3HZ LYS 14 3HZ LYS 14 -5.642 -3.557 -20.205 122 H LYS 15 H LYS 15 -0.498 -1.102 -16.043 123 HA LYS 15 HA LYS 15 -0.523 -1.602 -13.099 124 1HB LYS 15 2HB LYS 15 1.721 -0.461 -13.019 125 2HB LYS 15 1HB LYS 15 1.751 -2.008 -13.865 126 1HG LYS 15 2HG LYS 15 1.291 -0.571 -15.997 127 2HG LYS 15 1HG LYS 15 1.876 0.770 -15.012 128 1HD LYS 15 2HD LYS 15 3.966 -0.455 -14.569 129 2HD LYS 15 1HD LYS 15 3.385 -1.808 -15.540 130 1HE LYS 15 2HE LYS 15 3.057 0.421 -17.208 131 2HE LYS 15 1HE LYS 15 4.634 0.667 -16.430 132 1HZ LYS 15 1HZ LYS 15 3.699 -1.808 -17.786 133 2HZ LYS 15 2HZ LYS 15 5.160 -1.669 -16.928 134 3HZ LYS 15 3HZ LYS 15 4.909 -0.757 -18.339 135 HA PRO 16 HA PRO 16 -2.357 2.387 -13.052 136 1HB PRO 16 2HB PRO 16 -1.726 3.165 -10.506 137 2HB PRO 16 1HB PRO 16 -2.957 1.937 -10.866 138 1HG PRO 16 2HG PRO 16 -0.146 1.590 -9.955 139 2HG PRO 16 1HG PRO 16 -1.598 0.680 -9.513 140 1HD PRO 16 2HD PRO 16 0.268 -0.214 -11.297 141 2HD PRO 16 1HD PRO 16 -1.440 -0.705 -11.325 142 H ILE 17 H ILE 17 -1.784 4.671 -13.023 143 HA ILE 17 HA ILE 17 1.020 5.434 -12.624 144 HB ILE 17 HB ILE 17 0.886 6.414 -15.052 145 1HG1 ILE 17 2HG1 ILE 17 -1.118 4.139 -15.182 146 2HG1 ILE 17 1HG1 ILE 17 -1.486 5.850 -15.411 147 1HG2 ILE 17 1HG2 ILE 17 2.220 4.663 -15.729 148 2HG2 ILE 17 2HG2 ILE 17 1.114 3.442 -15.101 149 3HG2 ILE 17 3HG2 ILE 17 2.177 4.317 -14.000 150 1HD1 ILE 17 1HD1 ILE 17 -1.062 5.528 -17.604 151 2HD1 ILE 17 2HD1 ILE 17 -0.368 3.934 -17.303 152 3HD1 ILE 17 3HD1 ILE 17 0.638 5.375 -17.157 153 H TYR 18 H TYR 18 -0.750 6.461 -11.010 154 HA TYR 18 HA TYR 18 -2.356 8.641 -11.996 155 1HB TYR 18 2HB TYR 18 -1.588 7.366 -9.483 156 2HB TYR 18 1HB TYR 18 -1.772 9.111 -9.312 157 HD1 TYR 18 HD1 TYR 18 -3.551 6.529 -8.440 158 HD2 TYR 18 HD2 TYR 18 -3.850 9.624 -11.408 159 HE1 TYR 18 HE1 TYR 18 -6.019 6.271 -8.462 160 HE2 TYR 18 HE2 TYR 18 -6.317 9.365 -11.429 161 HH TYR 18 HH TYR 18 -7.901 6.735 -10.134 162 H LYS 19 H LYS 19 -1.917 10.905 -10.875 163 HA LYS 19 HA LYS 19 -0.565 12.836 -10.736 164 1HB LYS 19 2HB LYS 19 0.851 10.776 -9.622 165 2HB LYS 19 1HB LYS 19 1.951 11.292 -10.903 166 1HG LYS 19 2HG LYS 19 2.133 13.474 -10.039 167 2HG LYS 19 1HG LYS 19 0.661 13.316 -9.082 168 1HD LYS 19 2HD LYS 19 2.160 11.292 -8.039 169 2HD LYS 19 1HD LYS 19 3.420 12.456 -8.453 170 1HE LYS 19 2HE LYS 19 0.932 13.194 -6.874 171 2HE LYS 19 1HE LYS 19 2.486 12.774 -6.126 172 1HZ LYS 19 1HZ LYS 19 2.258 15.180 -6.533 173 2HZ LYS 19 2HZ LYS 19 2.118 14.873 -8.198 174 3HZ LYS 19 3HZ LYS 19 3.561 14.502 -7.380 175 H LYS 20 H LYS 20 -0.640 13.956 -12.647 176 HA LYS 20 HA LYS 20 1.402 13.541 -14.675 177 1HB LYS 20 2HB LYS 20 -0.579 11.771 -14.874 178 2HB LYS 20 1HB LYS 20 -1.379 13.114 -15.690 179 1HG LYS 20 2HG LYS 20 0.975 13.268 -16.942 180 2HG LYS 20 1HG LYS 20 1.029 11.557 -16.520 181 1HD LYS 20 2HD LYS 20 -0.673 11.014 -17.943 182 2HD LYS 20 1HD LYS 20 -1.546 12.515 -17.631 183 1HE LYS 20 2HE LYS 20 -0.814 12.752 -19.879 184 2HE LYS 20 1HE LYS 20 0.410 13.646 -18.955 185 1HZ LYS 20 1HZ LYS 20 1.514 11.334 -18.755 186 2HZ LYS 20 2HZ LYS 20 1.701 12.210 -20.198 187 3HZ LYS 20 3HZ LYS 20 0.576 10.940 -20.112 188 H ALA 21 H ALA 21 0.860 15.826 -13.267 189 HA ALA 21 HA ALA 21 0.204 17.730 -15.365 190 1HB ALA 21 1HB ALA 21 -1.869 16.651 -13.643 191 2HB ALA 21 2HB ALA 21 -2.031 17.729 -15.030 192 3HB ALA 21 3HB ALA 21 -1.727 18.395 -13.425 193 HA PRO 22 HA PRO 22 2.789 19.286 -11.880 194 1HB PRO 22 2HB PRO 22 4.749 20.339 -13.472 195 2HB PRO 22 1HB PRO 22 4.741 18.644 -12.944 196 1HG PRO 22 2HG PRO 22 3.954 19.814 -15.560 197 2HG PRO 22 1HG PRO 22 4.778 18.289 -15.206 198 1HD PRO 22 2HD PRO 22 2.117 18.486 -15.834 199 2HD PRO 22 1HD PRO 22 2.822 17.160 -14.883 200 H THR 23 H THR 23 1.198 20.925 -11.445 201 HA THR 23 HA THR 23 0.254 23.094 -11.529 202 HB THR 23 HB THR 23 2.996 23.620 -12.723 203 HG1 THR 23 HG1 THR 23 3.670 23.083 -10.829 204 1HG2 THR 23 1HG2 THR 23 2.377 25.779 -12.722 205 2HG2 THR 23 2HG2 THR 23 2.083 25.679 -10.986 206 3HG2 THR 23 3HG2 THR 23 0.779 25.332 -12.121 207 H ASN 24 H ASN 24 -1.314 22.525 -13.217 208 HA ASN 24 HA ASN 24 -0.611 23.698 -15.887 209 1HB ASN 24 2HB ASN 24 -1.799 21.084 -15.064 210 2HB ASN 24 1HB ASN 24 -2.419 21.825 -16.540 211 1HD2 ASN 24 1HD2 ASN 24 0.359 20.234 -15.106 212 2HD2 ASN 24 2HD2 ASN 24 1.313 20.212 -16.509 213 H GLU 25 H GLU 25 -1.658 25.659 -14.857 214 HA GLU 25 HA GLU 25 -4.527 25.530 -14.256 215 1HB GLU 25 2HB GLU 25 -2.950 27.028 -13.091 216 2HB GLU 25 1HB GLU 25 -2.572 27.826 -14.619 217 1HG GLU 25 2HG GLU 25 -4.832 28.647 -14.831 218 2HG GLU 25 1HG GLU 25 -5.364 27.687 -13.449 219 H PHE 26 H PHE 26 -5.346 24.747 -16.346 220 HA PHE 26 HA PHE 26 -5.710 26.958 -18.295 221 1HB PHE 26 2HB PHE 26 -4.206 24.399 -18.691 222 2HB PHE 26 1HB PHE 26 -5.150 25.022 -20.045 223 HD1 PHE 26 HD1 PHE 26 -4.928 27.797 -20.132 224 HD2 PHE 26 HD2 PHE 26 -1.962 25.000 -18.773 225 HE1 PHE 26 HE1 PHE 26 -3.146 29.454 -20.615 226 HE2 PHE 26 HE2 PHE 26 -0.179 26.657 -19.256 227 HZ PHE 26 HZ PHE 26 -0.770 28.885 -20.176 228 H TYR 27 H TYR 27 -7.008 25.560 -20.283 229 HA TYR 27 HA TYR 27 -9.196 24.065 -18.881 230 1HB TYR 27 2HB TYR 27 -9.193 26.655 -20.215 231 2HB TYR 27 1HB TYR 27 -10.357 25.556 -20.953 232 HD1 TYR 27 HD1 TYR 27 -9.470 27.446 -17.945 233 HD2 TYR 27 HD2 TYR 27 -12.177 24.551 -19.606 234 HE1 TYR 27 HE1 TYR 27 -11.014 27.795 -16.035 235 HE2 TYR 27 HE2 TYR 27 -13.722 24.900 -17.696 236 HH TYR 27 HH TYR 27 -13.738 27.425 -15.784 237 H ALA 28 HN ALA 28 -10.522 22.772 -20.448 238 HA ALA 28 HA ALA 28 -8.794 21.691 -22.627 239 1HB ALA 28 1HB ALA 28 -11.209 20.214 -22.173 240 2HB ALA 28 2HB ALA 28 -10.520 20.641 -20.607 241 3HB ALA 28 3HB ALA 28 -9.556 19.743 -21.779 242 1H ARG 1 1HT ARG 1 7.094 -17.405 -38.869 243 2H ARG 1 2HT ARG 1 6.612 -17.603 -37.251 244 3H ARG 1 3HT ARG 1 5.460 -17.240 -38.447 245 HA ARG 1 HA ARG 1 5.872 -19.391 -39.516 246 1HB ARG 1 2HB ARG 1 7.981 -19.287 -37.400 247 2HB ARG 1 1HB ARG 1 7.313 -20.868 -37.804 248 1HG ARG 1 2HG ARG 1 8.212 -20.863 -39.913 249 2HG ARG 1 1HG ARG 1 8.035 -19.117 -40.095 250 1HD ARG 1 2HD ARG 1 10.136 -18.719 -39.310 251 2HD ARG 1 1HD ARG 1 9.954 -19.896 -37.993 252 HE ARG 1 HE ARG 1 10.090 -21.218 -40.565 253 1HH1 ARG 1 1HH1 ARG 1 11.497 -21.281 -37.630 254 2HH1 ARG 1 2HH1 ARG 1 13.136 -21.448 -38.168 255 1HH2 ARG 1 1HH2 ARG 1 12.398 -20.742 -41.482 256 2HH2 ARG 1 2HH2 ARG 1 13.646 -21.146 -40.350 257 H MET 2 H MET 2 4.003 -20.492 -39.079 258 HA MET 2 HA MET 2 2.124 -21.272 -37.866 259 1HB MET 2 2HB MET 2 4.563 -21.821 -36.174 260 2HB MET 2 1HB MET 2 2.962 -22.346 -35.648 261 1HG MET 2 2HG MET 2 3.419 -23.008 -38.442 262 2HG MET 2 1HG MET 2 4.664 -23.708 -37.407 263 1HE MET 2 1HE MET 2 0.323 -23.971 -37.704 264 2HE MET 2 2HE MET 2 1.064 -25.222 -38.699 265 3HE MET 2 3HE MET 2 1.597 -23.550 -38.857 266 H LYS 3 H LYS 3 1.203 -21.127 -35.395 267 HA LYS 3 HA LYS 3 0.522 -18.411 -34.917 268 1HB LYS 3 2HB LYS 3 0.584 -20.747 -32.976 269 2HB LYS 3 1HB LYS 3 -0.440 -19.317 -32.856 270 1HG LYS 3 2HG LYS 3 -0.960 -20.241 -35.417 271 2HG LYS 3 1HG LYS 3 -0.798 -21.726 -34.480 272 1HD LYS 3 2HD LYS 3 -2.557 -19.389 -33.682 273 2HD LYS 3 1HD LYS 3 -3.138 -20.839 -34.503 274 1HE LYS 3 2HE LYS 3 -2.898 -22.163 -32.622 275 2HE LYS 3 1HE LYS 3 -1.524 -21.220 -32.010 276 1HZ LYS 3 1HZ LYS 3 -4.329 -20.247 -32.158 277 2HZ LYS 3 2HZ LYS 3 -3.002 -19.392 -31.530 278 3HZ LYS 3 3HZ LYS 3 -3.567 -20.787 -30.743 279 H LYS 4 H LYS 4 2.978 -20.476 -33.341 280 HA LYS 4 HA LYS 4 4.775 -19.893 -31.916 281 1HB LYS 4 2HB LYS 4 4.969 -18.619 -34.259 282 2HB LYS 4 1HB LYS 4 4.777 -17.203 -33.225 283 1HG LYS 4 2HG LYS 4 6.706 -17.771 -31.928 284 2HG LYS 4 1HG LYS 4 6.796 -19.380 -32.646 285 1HD LYS 4 2HD LYS 4 7.531 -18.537 -34.729 286 2HD LYS 4 1HD LYS 4 7.012 -16.896 -34.344 287 1HE LYS 4 2HE LYS 4 9.291 -16.681 -33.928 288 2HE LYS 4 1HE LYS 4 8.765 -17.245 -32.330 289 1HZ LYS 4 1HZ LYS 4 9.640 -18.997 -34.567 290 2HZ LYS 4 2HZ LYS 4 9.150 -19.518 -33.026 291 3HZ LYS 4 3HZ LYS 4 10.577 -18.614 -33.206 292 H LYS 5 H LYS 5 3.318 -19.759 -30.013 293 HA LYS 5 HA LYS 5 2.701 -16.943 -29.180 294 1HB LYS 5 2HB LYS 5 0.959 -18.920 -29.500 295 2HB LYS 5 1HB LYS 5 1.534 -19.395 -27.901 296 1HG LYS 5 2HG LYS 5 0.755 -17.435 -26.892 297 2HG LYS 5 1HG LYS 5 0.747 -16.539 -28.412 298 1HD LYS 5 2HD LYS 5 -1.141 -17.920 -29.212 299 2HD LYS 5 1HD LYS 5 -1.143 -18.796 -27.681 300 1HE LYS 5 2HE LYS 5 -1.613 -16.682 -26.471 301 2HE LYS 5 1HE LYS 5 -1.647 -15.817 -28.020 302 1HZ LYS 5 1HZ LYS 5 -3.370 -18.119 -27.265 303 2HZ LYS 5 2HZ LYS 5 -3.365 -17.358 -28.784 304 3HZ LYS 5 3HZ LYS 5 -3.875 -16.505 -27.405 305 H ASP 6 H ASP 6 3.912 -16.173 -27.491 306 HA ASP 6 HA ASP 6 5.133 -18.147 -25.595 307 1HB ASP 6 2HB ASP 6 6.664 -17.289 -27.445 308 2HB ASP 6 1HB ASP 6 6.505 -15.690 -26.717 309 H GLU 7 H GLU 7 2.810 -16.856 -24.895 310 HA GLU 7 HA GLU 7 3.613 -14.446 -23.322 311 1HB GLU 7 2HB GLU 7 1.534 -14.851 -24.983 312 2HB GLU 7 1HB GLU 7 0.805 -15.440 -23.489 313 1HG GLU 7 2HG GLU 7 1.672 -13.259 -22.419 314 2HG GLU 7 1HG GLU 7 1.910 -12.693 -24.072 315 H GLY 8 H GLY 8 3.169 -14.385 -21.046 316 1HA GLY 8 2HA GLY 8 3.419 -16.943 -19.691 317 2HA GLY 8 1HA GLY 8 3.261 -15.370 -18.905 318 H SER 9 H SER 9 1.857 -17.458 -17.821 319 HA SER 9 HA SER 9 -0.820 -17.751 -18.888 320 1HB SER 9 2HB SER 9 0.822 -18.650 -16.664 321 2HB SER 9 1HB SER 9 -0.816 -18.285 -16.130 322 HG SER 9 HG SER 9 -0.981 -20.311 -16.871 323 H TYR 10 H TYR 10 0.747 -15.403 -16.825 324 HA TYR 10 HA TYR 10 -1.910 -14.169 -16.184 325 1HB TYR 10 2HB TYR 10 0.825 -13.818 -14.909 326 2HB TYR 10 1HB TYR 10 -0.691 -13.150 -14.307 327 HD1 TYR 10 HD1 TYR 10 -1.931 -14.361 -12.740 328 HD2 TYR 10 HD2 TYR 10 0.850 -16.432 -15.279 329 HE1 TYR 10 HE1 TYR 10 -2.375 -16.469 -11.509 330 HE2 TYR 10 HE2 TYR 10 0.405 -18.538 -14.049 331 HH TYR 10 HH TYR 10 -0.427 -19.126 -11.655 332 H ASP 11 H ASP 11 -2.356 -12.231 -17.183 333 HA ASP 11 HA ASP 11 -0.161 -10.411 -17.936 334 1HB ASP 11 2HB ASP 11 -0.723 -12.310 -19.708 335 2HB ASP 11 1HB ASP 11 -2.056 -11.227 -20.110 336 H LEU 12 H LEU 12 -2.542 -10.336 -16.181 337 HA LEU 12 HA LEU 12 -3.525 -7.722 -16.929 338 1HB LEU 12 2HB LEU 12 -4.663 -9.558 -18.430 339 2HB LEU 12 1HB LEU 12 -5.626 -9.870 -16.985 340 HG LEU 12 HG LEU 12 -5.361 -7.232 -18.451 341 1HD1 LEU 12 1HD1 LEU 12 -8.010 -8.369 -17.873 342 2HD1 LEU 12 2HD1 LEU 12 -7.029 -9.372 -18.943 343 3HD1 LEU 12 3HD1 LEU 12 -7.379 -7.698 -19.377 344 1HD2 LEU 12 1HD2 LEU 12 -7.015 -6.439 -16.728 345 2HD2 LEU 12 2HD2 LEU 12 -5.423 -6.798 -16.061 346 3HD2 LEU 12 3HD2 LEU 12 -6.747 -7.943 -15.848 347 H GLY 13 H GLY 13 -3.662 -6.823 -14.910 348 1HA GLY 13 2HA GLY 13 -5.352 -8.098 -12.879 349 2HA GLY 13 1HA GLY 13 -3.648 -7.984 -12.439 350 H LYS 14 H LYS 14 -2.868 -5.557 -13.335 351 HA LYS 14 HA LYS 14 -4.557 -3.706 -11.711 352 1HB LYS 14 2HB LYS 14 -1.725 -4.201 -12.181 353 2HB LYS 14 1HB LYS 14 -2.123 -2.498 -12.406 354 1HG LYS 14 2HG LYS 14 -3.123 -2.375 -10.205 355 2HG LYS 14 1HG LYS 14 -2.953 -4.117 -9.982 356 1HD LYS 14 2HD LYS 14 -0.381 -3.423 -10.570 357 2HD LYS 14 1HD LYS 14 -0.929 -1.979 -9.721 358 1HE LYS 14 2HE LYS 14 -0.399 -3.172 -7.838 359 2HE LYS 14 1HE LYS 14 -1.949 -3.987 -8.129 360 1HZ LYS 14 1HZ LYS 14 -0.757 -5.525 -9.626 361 2HZ LYS 14 2HZ LYS 14 -0.225 -5.636 -8.016 362 3HZ LYS 14 3HZ LYS 14 0.711 -4.810 -9.167 363 H LYS 15 H LYS 15 -4.395 -1.335 -12.586 364 HA LYS 15 HA LYS 15 -4.475 -1.253 -15.570 365 1HB LYS 15 2HB LYS 15 -6.653 -0.005 -15.347 366 2HB LYS 15 1HB LYS 15 -6.748 -1.684 -14.815 367 1HG LYS 15 2HG LYS 15 -6.151 -0.713 -12.464 368 2HG LYS 15 1HG LYS 15 -6.685 0.821 -13.150 369 1HD LYS 15 2HD LYS 15 -8.853 -0.188 -13.743 370 2HD LYS 15 1HD LYS 15 -8.321 -1.730 -13.070 371 1HE LYS 15 2HE LYS 15 -7.827 0.116 -11.020 372 2HE LYS 15 1HE LYS 15 -9.409 0.583 -11.678 373 1HZ LYS 15 1HZ LYS 15 -8.575 -2.149 -10.858 374 2HZ LYS 15 2HZ LYS 15 -10.047 -1.776 -11.620 375 3HZ LYS 15 3HZ LYS 15 -9.710 -1.168 -10.069 376 HA PRO 16 HA PRO 16 -2.421 2.575 -14.913 377 1HB PRO 16 2HB PRO 16 -3.079 3.865 -17.235 378 2HB PRO 16 1HB PRO 16 -1.907 2.533 -17.166 379 1HG PRO 16 2HG PRO 16 -4.755 2.506 -18.024 380 2HG PRO 16 1HG PRO 16 -3.367 1.629 -18.685 381 1HD PRO 16 2HD PRO 16 -5.233 0.498 -17.040 382 2HD PRO 16 1HD PRO 16 -3.555 -0.072 -17.171 383 H ILE 17 H ILE 17 -2.870 4.857 -14.507 384 HA ILE 17 HA ILE 17 -5.640 5.814 -14.633 385 HB ILE 17 HB ILE 17 -5.385 6.290 -12.066 386 1HG1 ILE 17 2HG1 ILE 17 -3.509 3.938 -12.449 387 2HG1 ILE 17 1HG1 ILE 17 -3.039 5.552 -11.913 388 1HG2 ILE 17 1HG2 ILE 17 -6.792 4.509 -11.689 389 2HG2 ILE 17 2HG2 ILE 17 -5.772 3.381 -12.582 390 3HG2 ILE 17 3HG2 ILE 17 -6.818 4.503 -13.452 391 1HD1 ILE 17 1HD1 ILE 17 -3.414 4.833 -9.808 392 2HD1 ILE 17 2HD1 ILE 17 -4.212 3.368 -10.379 393 3HD1 ILE 17 3HD1 ILE 17 -5.132 4.863 -10.207 394 H TYR 18 H TYR 18 -3.832 7.035 -16.076 395 HA TYR 18 HA TYR 18 -2.079 8.887 -14.740 396 1HB TYR 18 2HB TYR 18 -2.988 8.178 -17.425 397 2HB TYR 18 1HB TYR 18 -2.708 9.911 -17.259 398 HD1 TYR 18 HD1 TYR 18 -1.102 7.468 -18.685 399 HD2 TYR 18 HD2 TYR 18 -0.556 9.896 -15.182 400 HE1 TYR 18 HE1 TYR 18 1.347 7.087 -18.802 401 HE2 TYR 18 HE2 TYR 18 1.892 9.515 -15.298 402 HH TYR 18 HH TYR 18 3.293 7.117 -17.144 403 H LYS 19 H LYS 19 -2.404 11.356 -15.379 404 HA LYS 19 HA LYS 19 -3.641 13.347 -15.097 405 1HB LYS 19 2HB LYS 19 -5.200 11.628 -16.549 406 2HB LYS 19 1HB LYS 19 -6.241 11.927 -15.157 407 1HG LYS 19 2HG LYS 19 -6.321 14.248 -15.558 408 2HG LYS 19 1HG LYS 19 -4.894 14.208 -16.594 409 1HD LYS 19 2HD LYS 19 -6.544 12.502 -17.937 410 2HD LYS 19 1HD LYS 19 -7.717 13.627 -17.253 411 1HE LYS 19 2HE LYS 19 -5.244 14.531 -18.766 412 2HE LYS 19 1HE LYS 19 -6.840 14.336 -19.519 413 1HZ LYS 19 1HZ LYS 19 -6.468 16.607 -18.670 414 2HZ LYS 19 2HZ LYS 19 -6.301 15.978 -17.100 415 3HZ LYS 19 3HZ LYS 19 -7.783 15.842 -17.921 416 H LYS 20 H LYS 20 -3.510 14.093 -13.016 417 HA LYS 20 HA LYS 20 -5.522 13.386 -11.043 418 1HB LYS 20 2HB LYS 20 -3.652 11.502 -11.253 419 2HB LYS 20 1HB LYS 20 -2.741 12.616 -10.234 420 1HG LYS 20 2HG LYS 20 -5.037 12.660 -8.871 421 2HG LYS 20 1HG LYS 20 -5.214 11.067 -9.609 422 1HD LYS 20 2HD LYS 20 -3.495 10.166 -8.401 423 2HD LYS 20 1HD LYS 20 -2.548 11.653 -8.450 424 1HE LYS 20 2HE LYS 20 -3.190 11.475 -6.171 425 2HE LYS 20 1HE LYS 20 -4.392 12.595 -6.846 426 1HZ LYS 20 1HZ LYS 20 -5.627 10.422 -7.448 427 2HZ LYS 20 2HZ LYS 20 -5.724 11.010 -5.858 428 3HZ LYS 20 3HZ LYS 20 -4.674 9.728 -6.229 429 H ALA 21 H ALA 21 -4.869 15.868 -11.994 430 HA ALA 21 HA ALA 21 -4.044 17.284 -9.593 431 1HB ALA 21 1HB ALA 21 -2.087 16.450 -11.566 432 2HB ALA 21 2HB ALA 21 -1.821 17.231 -10.007 433 3HB ALA 21 3HB ALA 21 -2.128 18.208 -11.442 434 HA PRO 22 HA PRO 22 -6.627 19.617 -12.615 435 1HB PRO 22 2HB PRO 22 -8.480 20.437 -10.777 436 2HB PRO 22 1HB PRO 22 -8.584 18.882 -11.623 437 1HG PRO 22 2HG PRO 22 -7.661 19.475 -8.862 438 2HG PRO 22 1HG PRO 22 -8.582 18.093 -9.474 439 1HD PRO 22 2HD PRO 22 -5.898 18.024 -8.919 440 2HD PRO 22 1HD PRO 22 -6.703 16.950 -10.085 441 H THR 23 H THR 23 -4.956 21.225 -12.783 442 HA THR 23 HA THR 23 -3.886 23.283 -12.320 443 HB THR 23 HB THR 23 -6.562 23.710 -10.949 444 HG1 THR 23 HG1 THR 23 -7.312 23.585 -12.887 445 1HG2 THR 23 1HG2 THR 23 -5.821 25.791 -10.555 446 2HG2 THR 23 2HG2 THR 23 -5.581 26.020 -12.287 447 3HG2 THR 23 3HG2 THR 23 -4.268 25.392 -11.291 448 H ASN 24 H ASN 24 -2.311 22.318 -10.831 449 HA ASN 24 HA ASN 24 -2.874 22.984 -7.960 450 1HB ASN 24 2HB ASN 24 -1.858 20.525 -9.318 451 2HB ASN 24 1HB ASN 24 -1.157 20.931 -7.751 452 1HD2 ASN 24 1HD2 ASN 24 -4.060 19.795 -9.361 453 2HD2 ASN 24 2HD2 ASN 24 -4.974 19.544 -7.953 454 H GLU 25 H GLU 25 -1.744 25.054 -8.633 455 HA GLU 25 HA GLU 25 1.096 24.898 -9.352 456 1HB GLU 25 2HB GLU 25 -0.422 26.673 -10.151 457 2HB GLU 25 1HB GLU 25 -0.714 27.177 -8.486 458 1HG GLU 25 2HG GLU 25 1.594 27.826 -8.201 459 2HG GLU 25 1HG GLU 25 2.033 27.127 -9.759 460 H PHE 26 H PHE 26 1.922 23.681 -7.483 461 HA PHE 26 HA PHE 26 2.465 25.452 -5.160 462 1HB PHE 26 2HB PHE 26 0.830 22.943 -5.208 463 2HB PHE 26 1HB PHE 26 1.843 23.245 -3.796 464 HD1 PHE 26 HD1 PHE 26 1.781 25.957 -3.170 465 HD2 PHE 26 HD2 PHE 26 -1.375 23.630 -4.929 466 HE1 PHE 26 HE1 PHE 26 0.109 27.578 -2.314 467 HE2 PHE 26 HE2 PHE 26 -3.047 25.251 -4.073 468 HZ PHE 26 HZ PHE 26 -2.305 27.225 -2.765 469 H TYR 27 H TYR 27 3.734 23.628 -3.529 470 HA TYR 27 HA TYR 27 5.796 22.326 -5.273 471 1HB TYR 27 2HB TYR 27 5.977 24.603 -3.464 472 2HB TYR 27 1HB TYR 27 7.096 23.321 -2.997 473 HD1 TYR 27 HD1 TYR 27 6.235 25.804 -5.548 474 HD2 TYR 27 HD2 TYR 27 8.821 22.510 -4.579 475 HE1 TYR 27 HE1 TYR 27 7.743 26.440 -7.411 476 HE2 TYR 27 HE2 TYR 27 10.330 23.147 -6.443 477 HH TYR 27 HH TYR 27 10.437 25.989 -7.829 478 H ALA 28 HN ALA 28 7.086 20.689 -4.036 479 HA ALA 28 HA ALA 28 5.359 19.294 -2.044 480 1HB ALA 28 1HB ALA 28 7.673 17.813 -2.866 481 2HB ALA 28 2HB ALA 28 6.966 18.571 -4.292 482 3HB ALA 28 3HB ALA 28 5.985 17.512 -3.281 Start of MODEL 12 1 1H ARG 1 1HT ARG 1 -0.882 -26.301 -31.266 2 2H ARG 1 2HT ARG 1 -2.095 -25.113 -31.231 3 3H ARG 1 3HT ARG 1 -2.489 -26.723 -31.607 4 HA ARG 1 HA ARG 1 -3.100 -26.077 -29.296 5 1HB ARG 1 2HB ARG 1 -1.317 -28.281 -30.216 6 2HB ARG 1 1HB ARG 1 -1.574 -28.146 -28.475 7 1HG ARG 1 2HG ARG 1 -4.032 -27.855 -30.070 8 2HG ARG 1 1HG ARG 1 -3.273 -29.441 -30.206 9 1HD ARG 1 2HD ARG 1 -3.713 -29.981 -28.019 10 2HD ARG 1 1HD ARG 1 -3.444 -28.319 -27.454 11 HE ARG 1 HE ARG 1 -5.921 -29.177 -28.907 12 1HH1 ARG 1 1HH1 ARG 1 -4.602 -26.321 -28.088 13 2HH1 ARG 1 2HH1 ARG 1 -5.802 -25.837 -26.935 14 1HH2 ARG 1 1HH2 ARG 1 -7.306 -28.958 -26.797 15 2HH2 ARG 1 2HH2 ARG 1 -7.335 -27.331 -26.206 16 H MET 2 H MET 2 -2.308 -25.481 -27.207 17 HA MET 2 HA MET 2 0.265 -24.018 -27.244 18 1HB MET 2 2HB MET 2 -2.023 -23.229 -26.339 19 2HB MET 2 1HB MET 2 -1.711 -24.301 -24.974 20 1HG MET 2 2HG MET 2 -0.908 -22.118 -24.354 21 2HG MET 2 1HG MET 2 0.507 -23.121 -24.674 22 1HE MET 2 1HE MET 2 -2.160 -21.111 -26.053 23 2HE MET 2 2HE MET 2 -1.598 -20.372 -27.550 24 3HE MET 2 3HE MET 2 -1.249 -19.594 -26.007 25 H LYS 3 H LYS 3 -1.214 -26.845 -25.709 26 HA LYS 3 HA LYS 3 -0.280 -28.498 -24.297 27 1HB LYS 3 2HB LYS 3 1.942 -27.597 -26.137 28 2HB LYS 3 1HB LYS 3 2.173 -28.928 -25.002 29 1HG LYS 3 2HG LYS 3 0.170 -30.057 -25.976 30 2HG LYS 3 1HG LYS 3 0.059 -28.764 -27.171 31 1HD LYS 3 2HD LYS 3 2.586 -29.370 -27.622 32 2HD LYS 3 1HD LYS 3 2.134 -30.913 -26.896 33 1HE LYS 3 2HE LYS 3 0.183 -30.992 -28.533 34 2HE LYS 3 1HE LYS 3 0.937 -29.616 -29.363 35 1HZ LYS 3 1HZ LYS 3 3.020 -30.913 -29.433 36 2HZ LYS 3 2HZ LYS 3 1.769 -31.639 -30.324 37 3HZ LYS 3 3HZ LYS 3 2.192 -32.249 -28.796 38 H LYS 4 H LYS 4 -0.584 -26.968 -22.420 39 HA LYS 4 HA LYS 4 2.075 -26.184 -21.277 40 1HB LYS 4 2HB LYS 4 0.443 -24.367 -22.286 41 2HB LYS 4 1HB LYS 4 -0.431 -24.601 -20.771 42 1HG LYS 4 2HG LYS 4 1.755 -24.217 -19.557 43 2HG LYS 4 1HG LYS 4 2.457 -23.751 -21.107 44 1HD LYS 4 2HD LYS 4 -0.108 -22.442 -20.366 45 2HD LYS 4 1HD LYS 4 1.317 -21.964 -19.444 46 1HE LYS 4 2HE LYS 4 2.462 -21.737 -21.788 47 2HE LYS 4 1HE LYS 4 0.796 -21.661 -22.396 48 1HZ LYS 4 1HZ LYS 4 0.316 -19.925 -20.791 49 2HZ LYS 4 2HZ LYS 4 1.613 -19.456 -21.784 50 3HZ LYS 4 3HZ LYS 4 1.904 -19.993 -20.198 51 H LYS 5 H LYS 5 2.318 -26.753 -19.114 52 HA LYS 5 HA LYS 5 -0.102 -27.794 -17.680 53 1HB LYS 5 2HB LYS 5 2.086 -29.225 -18.725 54 2HB LYS 5 1HB LYS 5 2.378 -29.139 -16.988 55 1HG LYS 5 2HG LYS 5 0.338 -30.211 -16.469 56 2HG LYS 5 1HG LYS 5 -0.332 -29.898 -18.071 57 1HD LYS 5 2HD LYS 5 0.571 -31.785 -18.917 58 2HD LYS 5 1HD LYS 5 2.148 -31.423 -18.216 59 1HE LYS 5 2HE LYS 5 0.606 -32.091 -15.994 60 2HE LYS 5 1HE LYS 5 0.076 -33.242 -17.238 61 1HZ LYS 5 1HZ LYS 5 2.438 -33.634 -17.762 62 2HZ LYS 5 2HZ LYS 5 2.042 -34.097 -16.176 63 3HZ LYS 5 3HZ LYS 5 2.882 -32.647 -16.457 64 H ASP 6 H ASP 6 -0.339 -26.213 -16.100 65 HA ASP 6 HA ASP 6 1.974 -25.789 -14.267 66 1HB ASP 6 2HB ASP 6 1.037 -23.972 -16.248 67 2HB ASP 6 1HB ASP 6 0.563 -23.317 -14.680 68 H GLU 7 H GLU 7 0.828 -23.939 -12.583 69 HA GLU 7 HA GLU 7 -1.708 -25.263 -11.683 70 1HB GLU 7 2HB GLU 7 0.766 -24.336 -10.225 71 2HB GLU 7 1HB GLU 7 -0.757 -24.597 -9.372 72 1HG GLU 7 2HG GLU 7 -0.569 -26.851 -9.496 73 2HG GLU 7 1HG GLU 7 -0.045 -26.800 -11.179 74 H GLY 8 H GLY 8 -0.138 -22.543 -10.158 75 1HA GLY 8 2HA GLY 8 -2.538 -20.889 -10.729 76 2HA GLY 8 1HA GLY 8 -1.348 -20.564 -9.469 77 H SER 9 H SER 9 -2.323 -19.741 -12.607 78 HA SER 9 HA SER 9 0.357 -18.632 -13.322 79 1HB SER 9 2HB SER 9 -2.176 -19.362 -14.762 80 2HB SER 9 1HB SER 9 -1.075 -18.201 -15.500 81 HG SER 9 HG SER 9 -0.882 -20.770 -15.616 82 H TYR 10 H TYR 10 0.145 -16.392 -14.466 83 HA TYR 10 HA TYR 10 -2.045 -14.654 -13.618 84 1HB TYR 10 2HB TYR 10 -0.645 -13.327 -12.060 85 2HB TYR 10 1HB TYR 10 -0.791 -14.999 -11.515 86 HD1 TYR 10 HD1 TYR 10 1.093 -16.567 -11.714 87 HD2 TYR 10 HD2 TYR 10 1.459 -12.460 -12.928 88 HE1 TYR 10 HE1 TYR 10 3.562 -16.805 -11.778 89 HE2 TYR 10 HE2 TYR 10 3.927 -12.698 -12.991 90 HH TYR 10 HH TYR 10 5.493 -15.589 -13.057 91 H ASP 11 H ASP 11 -1.822 -12.517 -14.563 92 HA ASP 11 HA ASP 11 0.578 -12.045 -16.266 93 1HB ASP 11 2HB ASP 11 -1.372 -13.348 -17.397 94 2HB ASP 11 1HB ASP 11 -2.218 -11.800 -17.373 95 H LEU 12 H LEU 12 0.208 -10.563 -14.036 96 HA LEU 12 HA LEU 12 -1.546 -8.294 -14.329 97 1HB LEU 12 2HB LEU 12 0.794 -9.095 -12.623 98 2HB LEU 12 1HB LEU 12 0.181 -7.443 -12.531 99 HG LEU 12 HG LEU 12 -2.127 -8.437 -12.167 100 1HD1 LEU 12 1HD1 LEU 12 -0.422 -10.926 -12.034 101 2HD1 LEU 12 2HD1 LEU 12 -1.899 -10.660 -12.961 102 3HD1 LEU 12 3HD1 LEU 12 -1.977 -10.828 -11.208 103 1HD2 LEU 12 1HD2 LEU 12 -0.094 -7.875 -10.386 104 2HD2 LEU 12 2HD2 LEU 12 -0.568 -9.506 -9.912 105 3HD2 LEU 12 3HD2 LEU 12 -1.764 -8.211 -9.935 106 H GLY 13 H GLY 13 -0.504 -8.261 -16.779 107 1HA GLY 13 2HA GLY 13 2.010 -6.837 -17.017 108 2HA GLY 13 1HA GLY 13 0.844 -7.093 -18.317 109 H LYS 14 H LYS 14 -1.288 -5.899 -16.476 110 HA LYS 14 HA LYS 14 -0.990 -3.147 -17.412 111 1HB LYS 14 2HB LYS 14 -3.006 -4.609 -15.680 112 2HB LYS 14 1HB LYS 14 -3.213 -2.948 -16.236 113 1HG LYS 14 2HG LYS 14 -2.582 -4.225 -18.576 114 2HG LYS 14 1HG LYS 14 -3.492 -5.476 -17.729 115 1HD LYS 14 2HD LYS 14 -5.261 -4.356 -18.684 116 2HD LYS 14 1HD LYS 14 -5.103 -3.396 -17.214 117 1HE LYS 14 2HE LYS 14 -4.583 -1.555 -18.425 118 2HE LYS 14 1HE LYS 14 -3.270 -2.424 -19.245 119 1HZ LYS 14 1HZ LYS 14 -6.141 -2.787 -19.904 120 2HZ LYS 14 2HZ LYS 14 -4.803 -3.384 -20.764 121 3HZ LYS 14 3HZ LYS 14 -5.126 -1.716 -20.739 122 H LYS 15 H LYS 15 -0.916 -1.276 -15.999 123 HA LYS 15 HA LYS 15 -0.327 -1.702 -13.129 124 1HB LYS 15 2HB LYS 15 1.640 -1.003 -15.270 125 2HB LYS 15 1HB LYS 15 1.819 -0.208 -13.705 126 1HG LYS 15 2HG LYS 15 1.567 -2.602 -12.714 127 2HG LYS 15 1HG LYS 15 1.952 -3.148 -14.347 128 1HD LYS 15 2HD LYS 15 4.133 -2.577 -14.138 129 2HD LYS 15 1HD LYS 15 3.739 -1.025 -13.399 130 1HE LYS 15 2HE LYS 15 3.133 -3.285 -11.629 131 2HE LYS 15 1HE LYS 15 4.853 -3.182 -12.055 132 1HZ LYS 15 1HZ LYS 15 3.999 -1.729 -10.134 133 2HZ LYS 15 2HZ LYS 15 3.321 -0.757 -11.352 134 3HZ LYS 15 3HZ LYS 15 5.000 -1.010 -11.297 135 HA PRO 16 HA PRO 16 -2.347 2.214 -13.036 136 1HB PRO 16 2HB PRO 16 -1.661 2.968 -10.498 137 2HB PRO 16 1HB PRO 16 -2.882 1.726 -10.842 138 1HG PRO 16 2HG PRO 16 -0.046 1.409 -10.006 139 2HG PRO 16 1HG PRO 16 -1.472 0.470 -9.543 140 1HD PRO 16 2HD PRO 16 0.363 -0.369 -11.387 141 2HD PRO 16 1HD PRO 16 -1.338 -0.885 -11.380 142 H ILE 17 H ILE 17 -1.802 4.513 -12.967 143 HA ILE 17 HA ILE 17 0.987 5.316 -12.609 144 HB ILE 17 HB ILE 17 1.002 6.189 -15.006 145 1HG1 ILE 17 2HG1 ILE 17 -1.166 4.131 -15.416 146 2HG1 ILE 17 1HG1 ILE 17 -1.531 5.845 -15.201 147 1HG2 ILE 17 1HG2 ILE 17 2.091 4.020 -14.082 148 2HG2 ILE 17 2HG2 ILE 17 1.916 4.180 -15.830 149 3HG2 ILE 17 3HG2 ILE 17 0.780 3.187 -14.918 150 1HD1 ILE 17 1HD1 ILE 17 0.416 4.827 -17.280 151 2HD1 ILE 17 2HD1 ILE 17 -0.270 6.446 -17.149 152 3HD1 ILE 17 3HD1 ILE 17 -1.295 5.088 -17.615 153 H TYR 18 H TYR 18 -0.628 6.436 -10.994 154 HA TYR 18 HA TYR 18 -2.217 8.626 -12.142 155 1HB TYR 18 2HB TYR 18 -2.649 7.160 -10.051 156 2HB TYR 18 1HB TYR 18 -1.453 8.179 -9.250 157 HD1 TYR 18 HD1 TYR 18 -4.508 8.483 -11.404 158 HD2 TYR 18 HD2 TYR 18 -2.183 10.127 -8.190 159 HE1 TYR 18 HE1 TYR 18 -6.238 10.215 -11.046 160 HE2 TYR 18 HE2 TYR 18 -3.914 11.867 -7.828 161 HH TYR 18 HH TYR 18 -6.299 12.576 -10.044 162 H LYS 19 H LYS 19 -0.679 10.045 -13.149 163 HA LYS 19 HA LYS 19 0.858 11.710 -11.241 164 1HB LYS 19 2HB LYS 19 1.997 9.566 -12.686 165 2HB LYS 19 1HB LYS 19 2.531 11.035 -13.504 166 1HG LYS 19 2HG LYS 19 3.884 11.618 -11.791 167 2HG LYS 19 1HG LYS 19 2.637 11.278 -10.591 168 1HD LYS 19 2HD LYS 19 3.429 9.189 -10.183 169 2HD LYS 19 1HD LYS 19 3.744 8.876 -11.890 170 1HE LYS 19 2HE LYS 19 5.942 9.027 -11.222 171 2HE LYS 19 1HE LYS 19 5.646 10.772 -11.365 172 1HZ LYS 19 1HZ LYS 19 4.852 10.755 -9.055 173 2HZ LYS 19 2HZ LYS 19 6.479 10.281 -9.168 174 3HZ LYS 19 3HZ LYS 19 5.266 9.116 -8.925 175 H LYS 20 H LYS 20 -1.346 11.740 -13.532 176 HA LYS 20 HA LYS 20 -0.329 13.509 -15.573 177 1HB LYS 20 2HB LYS 20 -2.347 12.056 -15.731 178 2HB LYS 20 1HB LYS 20 -3.142 13.061 -14.519 179 1HG LYS 20 2HG LYS 20 -3.256 14.924 -15.958 180 2HG LYS 20 1HG LYS 20 -2.010 14.283 -17.031 181 1HD LYS 20 2HD LYS 20 -3.487 12.600 -17.888 182 2HD LYS 20 1HD LYS 20 -4.689 12.931 -16.640 183 1HE LYS 20 2HE LYS 20 -4.759 15.336 -17.622 184 2HE LYS 20 1HE LYS 20 -3.965 14.618 -19.037 185 1HZ LYS 20 1HZ LYS 20 -5.701 13.100 -19.334 186 2HZ LYS 20 2HZ LYS 20 -6.496 14.562 -18.990 187 3HZ LYS 20 3HZ LYS 20 -6.340 13.373 -17.786 188 H ALA 21 H ALA 21 0.825 14.994 -13.933 189 HA ALA 21 HA ALA 21 -1.085 17.039 -12.846 190 1HB ALA 21 1HB ALA 21 0.223 17.106 -10.963 191 2HB ALA 21 2HB ALA 21 1.717 16.890 -11.877 192 3HB ALA 21 3HB ALA 21 0.704 15.496 -11.500 193 HA PRO 22 HA PRO 22 1.281 19.137 -16.170 194 1HB PRO 22 2HB PRO 22 -0.809 20.699 -16.991 195 2HB PRO 22 1HB PRO 22 -0.554 19.043 -17.580 196 1HG PRO 22 2HG PRO 22 -2.448 20.050 -15.521 197 2HG PRO 22 1HG PRO 22 -2.667 18.779 -16.733 198 1HD PRO 22 2HD PRO 22 -2.140 18.298 -14.088 199 2HD PRO 22 1HD PRO 22 -1.733 17.175 -15.404 200 H THR 23 H THR 23 0.996 21.784 -16.557 201 HA THR 23 HA THR 23 1.918 22.997 -14.116 202 HB THR 23 HB THR 23 0.869 24.258 -16.665 203 HG1 THR 23 HG1 THR 23 3.527 23.536 -16.026 204 1HG2 THR 23 1HG2 THR 23 2.071 25.299 -14.238 205 2HG2 THR 23 2HG2 THR 23 1.378 26.176 -15.603 206 3HG2 THR 23 3HG2 THR 23 3.067 25.669 -15.645 207 H ASN 24 H ASN 24 -0.963 23.821 -16.033 208 HA ASN 24 HA ASN 24 -2.636 23.953 -13.607 209 1HB ASN 24 2HB ASN 24 -1.163 26.100 -14.008 210 2HB ASN 24 1HB ASN 24 -2.361 26.453 -15.254 211 1HD2 ASN 24 1HD2 ASN 24 -2.240 28.189 -13.067 212 2HD2 ASN 24 2HD2 ASN 24 -3.596 27.962 -12.072 213 H GLU 25 H GLU 25 -2.366 24.799 -17.071 214 HA GLU 25 HA GLU 25 -5.281 24.356 -17.433 215 1HB GLU 25 2HB GLU 25 -2.992 25.452 -19.066 216 2HB GLU 25 1HB GLU 25 -4.550 25.099 -19.814 217 1HG GLU 25 2HG GLU 25 -5.587 26.511 -17.933 218 2HG GLU 25 1HG GLU 25 -3.946 27.072 -17.609 219 H PHE 26 H PHE 26 -5.899 23.004 -19.408 220 HA PHE 26 HA PHE 26 -4.788 20.347 -19.186 221 1HB PHE 26 2HB PHE 26 -7.128 20.819 -19.732 222 2HB PHE 26 1HB PHE 26 -6.637 21.666 -21.200 223 HD1 PHE 26 HD1 PHE 26 -6.540 18.345 -19.500 224 HD2 PHE 26 HD2 PHE 26 -6.230 20.487 -23.213 225 HE1 PHE 26 HE1 PHE 26 -6.531 16.195 -20.738 226 HE2 PHE 26 HE2 PHE 26 -6.222 18.337 -24.452 227 HZ PHE 26 HZ PHE 26 -6.372 16.191 -23.215 228 H TYR 27 H TYR 27 -2.470 21.020 -19.680 229 HA TYR 27 HA TYR 27 -1.881 21.700 -22.494 230 1HB TYR 27 2HB TYR 27 -0.741 22.466 -20.250 231 2HB TYR 27 1HB TYR 27 0.122 20.934 -20.383 232 HD1 TYR 27 HD1 TYR 27 1.155 20.416 -22.759 233 HD2 TYR 27 HD2 TYR 27 0.111 24.341 -21.357 234 HE1 TYR 27 HE1 TYR 27 2.689 21.420 -24.432 235 HE2 TYR 27 HE2 TYR 27 1.644 25.346 -23.028 236 HH TYR 27 HH TYR 27 3.188 23.402 -25.510 237 H ALA 28 HN ALA 28 -1.706 20.086 -23.998 238 HA ALA 28 HA ALA 28 -0.647 17.426 -23.106 239 1HB ALA 28 1HB ALA 28 -2.771 16.708 -23.467 240 2HB ALA 28 2HB ALA 28 -2.422 16.919 -25.183 241 3HB ALA 28 3HB ALA 28 -3.218 18.208 -24.280 242 1H ARG 1 1HT ARG 1 -5.767 -29.003 -2.552 243 2H ARG 1 2HT ARG 1 -4.492 -27.898 -2.340 244 3H ARG 1 3HT ARG 1 -4.191 -29.569 -2.282 245 HA ARG 1 HA ARG 1 -3.497 -28.523 -4.416 246 1HB ARG 1 2HB ARG 1 -5.414 -30.761 -3.965 247 2HB ARG 1 1HB ARG 1 -5.109 -30.306 -5.641 248 1HG ARG 1 2HG ARG 1 -2.676 -30.468 -3.990 249 2HG ARG 1 1HG ARG 1 -3.522 -32.006 -4.173 250 1HD ARG 1 2HD ARG 1 -3.062 -32.136 -6.420 251 2HD ARG 1 1HD ARG 1 -3.230 -30.384 -6.654 252 HE ARG 1 HE ARG 1 -0.834 -31.643 -5.366 253 1HH1 ARG 1 1HH1 ARG 1 -1.986 -28.614 -5.633 254 2HH1 ARG 1 2HH1 ARG 1 -0.737 -27.984 -6.654 255 1HH2 ARG 1 1HH2 ARG 1 0.607 -31.098 -7.377 256 2HH2 ARG 1 2HH2 ARG 1 0.732 -29.392 -7.643 257 H MET 2 H MET 2 -4.210 -27.491 -6.356 258 HA MET 2 HA MET 2 -6.702 -25.921 -6.068 259 1HB MET 2 2HB MET 2 -4.356 -25.099 -6.769 260 2HB MET 2 1HB MET 2 -4.688 -25.868 -8.322 261 1HG MET 2 2HG MET 2 -5.361 -23.565 -8.519 262 2HG MET 2 1HG MET 2 -6.835 -24.529 -8.419 263 1HE MET 2 1HE MET 2 -4.100 -22.976 -6.640 264 2HE MET 2 2HE MET 2 -4.659 -22.508 -5.036 265 3HE MET 2 3HE MET 2 -4.929 -21.431 -6.403 266 H LYS 3 H LYS 3 -5.342 -28.476 -8.106 267 HA LYS 3 HA LYS 3 -6.329 -29.769 -9.825 268 1HB LYS 3 2HB LYS 3 -8.537 -29.120 -7.866 269 2HB LYS 3 1HB LYS 3 -8.817 -30.190 -9.241 270 1HG LYS 3 2HG LYS 3 -6.898 -31.598 -8.485 271 2HG LYS 3 1HG LYS 3 -6.744 -30.569 -7.060 272 1HD LYS 3 2HD LYS 3 -9.310 -31.107 -6.764 273 2HD LYS 3 1HD LYS 3 -8.925 -32.504 -7.770 274 1HE LYS 3 2HE LYS 3 -7.018 -33.008 -6.157 275 2HE LYS 3 1HE LYS 3 -7.716 -31.776 -5.086 276 1HZ LYS 3 1HZ LYS 3 -9.865 -32.942 -5.291 277 2HZ LYS 3 2HZ LYS 3 -8.674 -33.898 -4.545 278 3HZ LYS 3 3HZ LYS 3 -9.099 -34.175 -6.167 279 H LYS 4 H LYS 4 -5.905 -27.921 -11.364 280 HA LYS 4 HA LYS 4 -8.492 -26.783 -12.364 281 1HB LYS 4 2HB LYS 4 -6.784 -25.291 -11.006 282 2HB LYS 4 1HB LYS 4 -5.895 -25.279 -12.529 283 1HG LYS 4 2HG LYS 4 -8.030 -24.541 -13.665 284 2HG LYS 4 1HG LYS 4 -8.738 -24.344 -12.062 285 1HD LYS 4 2HD LYS 4 -6.091 -23.063 -12.508 286 2HD LYS 4 1HD LYS 4 -7.468 -22.337 -13.335 287 1HE LYS 4 2HE LYS 4 -8.651 -22.503 -11.003 288 2HE LYS 4 1HE LYS 4 -6.997 -22.640 -10.374 289 1HZ LYS 4 1HZ LYS 4 -6.391 -20.654 -11.599 290 2HZ LYS 4 2HZ LYS 4 -7.687 -20.317 -10.554 291 3HZ LYS 4 3HZ LYS 4 -7.964 -20.518 -12.219 292 H LYS 5 H LYS 5 -8.717 -26.911 -14.600 293 HA LYS 5 HA LYS 5 -6.324 -27.789 -16.182 294 1HB LYS 5 2HB LYS 5 -8.605 -29.272 -15.457 295 2HB LYS 5 1HB LYS 5 -8.854 -28.838 -17.149 296 1HG LYS 5 2HG LYS 5 -6.862 -29.898 -17.840 297 2HG LYS 5 1HG LYS 5 -6.211 -29.937 -16.201 298 1HD LYS 5 2HD LYS 5 -7.227 -31.902 -15.750 299 2HD LYS 5 1HD LYS 5 -8.768 -31.327 -16.384 300 1HE LYS 5 2HE LYS 5 -7.214 -31.631 -18.676 301 2HE LYS 5 1HE LYS 5 -6.773 -33.029 -17.675 302 1HZ LYS 5 1HZ LYS 5 -9.164 -33.384 -17.265 303 2HZ LYS 5 2HZ LYS 5 -8.757 -33.551 -18.906 304 3HZ LYS 5 3HZ LYS 5 -9.525 -32.139 -18.357 305 H ASP 6 H ASP 6 -5.968 -25.950 -17.418 306 HA ASP 6 HA ASP 6 -8.211 -25.044 -19.162 307 1HB ASP 6 2HB ASP 6 -7.222 -23.708 -16.852 308 2HB ASP 6 1HB ASP 6 -6.678 -22.787 -18.256 309 H GLU 7 H GLU 7 -6.931 -22.976 -20.441 310 HA GLU 7 HA GLU 7 -4.446 -24.238 -21.552 311 1HB GLU 7 2HB GLU 7 -6.835 -22.909 -22.832 312 2HB GLU 7 1HB GLU 7 -5.309 -23.085 -23.701 313 1HG GLU 7 2HG GLU 7 -5.619 -25.307 -24.020 314 2HG GLU 7 1HG GLU 7 -6.176 -25.552 -22.364 315 H GLY 8 H GLY 8 -5.840 -21.189 -22.534 316 1HA GLY 8 2HA GLY 8 -3.368 -19.815 -21.626 317 2HA GLY 8 1HA GLY 8 -4.511 -19.185 -22.813 318 H SER 9 H SER 9 -3.562 -19.045 -19.563 319 HA SER 9 HA SER 9 -6.195 -17.945 -18.678 320 1HB SER 9 2HB SER 9 -3.739 -19.080 -17.372 321 2HB SER 9 1HB SER 9 -4.796 -18.023 -16.439 322 HG SER 9 HG SER 9 -5.125 -20.552 -16.827 323 H TYR 10 H TYR 10 -5.891 -15.985 -17.118 324 HA TYR 10 HA TYR 10 -3.595 -14.241 -17.588 325 1HB TYR 10 2HB TYR 10 -4.889 -12.562 -18.874 326 2HB TYR 10 1HB TYR 10 -4.819 -14.102 -19.731 327 HD1 TYR 10 HD1 TYR 10 -6.787 -15.571 -19.861 328 HD2 TYR 10 HD2 TYR 10 -6.960 -11.763 -17.877 329 HE1 TYR 10 HE1 TYR 10 -9.265 -15.678 -19.873 330 HE2 TYR 10 HE2 TYR 10 -9.439 -11.869 -17.889 331 HH TYR 10 HH TYR 10 -11.157 -14.627 -18.406 332 H ASP 11 H ASP 11 -3.726 -12.319 -16.248 333 HA ASP 11 HA ASP 11 -6.134 -12.053 -14.513 334 1HB ASP 11 2HB ASP 11 -4.281 -13.656 -13.631 335 2HB ASP 11 1HB ASP 11 -3.355 -12.182 -13.345 336 H LEU 12 H LEU 12 -5.636 -10.191 -16.406 337 HA LEU 12 HA LEU 12 -3.776 -8.123 -15.655 338 1HB LEU 12 2HB LEU 12 -6.115 -8.447 -17.514 339 2HB LEU 12 1HB LEU 12 -5.413 -6.845 -17.274 340 HG LEU 12 HG LEU 12 -3.153 -7.877 -17.797 341 1HD1 LEU 12 1HD1 LEU 12 -4.984 -10.193 -18.434 342 2HD1 LEU 12 2HD1 LEU 12 -3.519 -10.195 -17.454 343 3HD1 LEU 12 3HD1 LEU 12 -3.408 -10.024 -19.205 344 1HD2 LEU 12 1HD2 LEU 12 -5.113 -6.866 -19.458 345 2HD2 LEU 12 2HD2 LEU 12 -4.715 -8.398 -20.235 346 3HD2 LEU 12 3HD2 LEU 12 -3.452 -7.202 -19.946 347 H GLY 13 H GLY 13 -4.867 -8.504 -13.259 348 1HA GLY 13 2HA GLY 13 -7.308 -7.013 -12.777 349 2HA GLY 13 1HA GLY 13 -6.187 -7.582 -11.539 350 H LYS 14 H LYS 14 -3.955 -6.176 -13.093 351 HA LYS 14 HA LYS 14 -4.126 -3.647 -11.640 352 1HB LYS 14 2HB LYS 14 -2.152 -4.859 -13.599 353 2HB LYS 14 1HB LYS 14 -1.869 -3.350 -12.730 354 1HG LYS 14 2HG LYS 14 -2.620 -5.015 -10.687 355 2HG LYS 14 1HG LYS 14 -1.760 -6.129 -11.750 356 1HD LYS 14 2HD LYS 14 0.046 -5.316 -10.579 357 2HD LYS 14 1HD LYS 14 -0.030 -4.080 -11.835 358 1HE LYS 14 2HE LYS 14 -0.481 -2.485 -10.293 359 2HE LYS 14 1HE LYS 14 -1.853 -3.424 -9.673 360 1HZ LYS 14 1HZ LYS 14 0.981 -4.062 -9.064 361 2HZ LYS 14 2HZ LYS 14 -0.405 -4.742 -8.354 362 3HZ LYS 14 3HZ LYS 14 0.002 -3.121 -8.048 363 H LYS 15 H LYS 15 -4.065 -1.535 -12.661 364 HA LYS 15 HA LYS 15 -4.610 -1.362 -15.566 365 1HB LYS 15 2HB LYS 15 -6.585 -0.982 -13.353 366 2HB LYS 15 1HB LYS 15 -6.688 0.109 -14.736 367 1HG LYS 15 2HG LYS 15 -6.540 -2.060 -16.168 368 2HG LYS 15 1HG LYS 15 -6.994 -2.887 -14.676 369 1HD LYS 15 2HD LYS 15 -9.134 -2.161 -14.798 370 2HD LYS 15 1HD LYS 15 -8.639 -0.521 -15.220 371 1HE LYS 15 2HE LYS 15 -8.116 -2.429 -17.386 372 2HE LYS 15 1HE LYS 15 -9.837 -2.315 -16.966 373 1HZ LYS 15 1HZ LYS 15 -8.868 -0.567 -18.561 374 2HZ LYS 15 2HZ LYS 15 -8.167 0.110 -17.169 375 3HZ LYS 15 3HZ LYS 15 -9.857 -0.033 -17.292 376 HA PRO 16 HA PRO 16 -2.394 2.387 -14.875 377 1HB PRO 16 2HB PRO 16 -2.982 3.651 -17.227 378 2HB PRO 16 1HB PRO 16 -1.835 2.301 -17.115 379 1HG PRO 16 2HG PRO 16 -4.665 2.308 -18.030 380 2HG PRO 16 1HG PRO 16 -3.278 1.397 -18.649 381 1HD PRO 16 2HD PRO 16 -5.199 0.325 -17.024 382 2HD PRO 16 1HD PRO 16 -3.529 -0.276 -17.113 383 H ILE 17 H ILE 17 -2.814 4.673 -14.482 384 HA ILE 17 HA ILE 17 -5.548 5.692 -14.714 385 HB ILE 17 HB ILE 17 -5.559 6.084 -12.192 386 1HG1 ILE 17 2HG1 ILE 17 -3.510 3.866 -12.187 387 2HG1 ILE 17 1HG1 ILE 17 -3.056 5.565 -12.046 388 1HG2 ILE 17 1HG2 ILE 17 -6.748 4.200 -13.533 389 2HG2 ILE 17 2HG2 ILE 17 -6.603 4.014 -11.784 390 3HG2 ILE 17 3HG2 ILE 17 -5.504 3.148 -12.858 391 1HD1 ILE 17 1HD1 ILE 17 -5.092 4.256 -10.233 392 2HD1 ILE 17 2HD1 ILE 17 -4.319 5.828 -10.025 393 3HD1 ILE 17 3HD1 ILE 17 -3.376 4.349 -9.837 394 H TYR 18 H TYR 18 -3.848 7.010 -16.071 395 HA TYR 18 HA TYR 18 -2.173 8.854 -14.509 396 1HB TYR 18 2HB TYR 18 -1.767 7.788 -16.837 397 2HB TYR 18 1HB TYR 18 -2.886 9.009 -17.442 398 HD1 TYR 18 HD1 TYR 18 0.145 8.710 -15.249 399 HD2 TYR 18 HD2 TYR 18 -2.037 11.088 -18.080 400 HE1 TYR 18 HE1 TYR 18 1.972 10.378 -15.246 401 HE2 TYR 18 HE2 TYR 18 -0.206 12.763 -18.081 402 HH TYR 18 HH TYR 18 2.172 12.887 -15.757 403 H LYS 19 H LYS 19 -3.645 10.130 -13.269 404 HA LYS 19 HA LYS 19 -5.061 12.214 -14.825 405 1HB LYS 19 2HB LYS 19 -6.330 9.893 -13.837 406 2HB LYS 19 1HB LYS 19 -6.807 11.200 -12.753 407 1HG LYS 19 2HG LYS 19 -8.095 12.175 -14.334 408 2HG LYS 19 1HG LYS 19 -6.841 12.010 -15.564 409 1HD LYS 19 2HD LYS 19 -7.726 10.084 -16.380 410 2HD LYS 19 1HD LYS 19 -8.097 9.464 -14.771 411 1HE LYS 19 2HE LYS 19 -10.267 9.861 -15.429 412 2HE LYS 19 1HE LYS 19 -9.888 11.525 -14.942 413 1HZ LYS 19 1HZ LYS 19 -9.037 11.917 -17.198 414 2HZ LYS 19 2HZ LYS 19 -10.690 11.521 -17.202 415 3HZ LYS 19 3HZ LYS 19 -9.535 10.361 -17.654 416 H LYS 20 H LYS 20 -2.906 11.665 -12.543 417 HA LYS 20 HA LYS 20 -3.863 13.062 -10.209 418 1HB LYS 20 2HB LYS 20 -1.929 11.498 -10.325 419 2HB LYS 20 1HB LYS 20 -1.059 12.675 -11.305 420 1HG LYS 20 2HG LYS 20 -0.876 14.209 -9.529 421 2HG LYS 20 1HG LYS 20 -2.178 13.445 -8.616 422 1HD LYS 20 2HD LYS 20 -0.812 11.546 -8.087 423 2HD LYS 20 1HD LYS 20 0.434 12.047 -9.230 424 1HE LYS 20 2HE LYS 20 0.606 14.207 -7.796 425 2HE LYS 20 1HE LYS 20 -0.257 13.271 -6.557 426 1HZ LYS 20 1HZ LYS 20 1.389 11.631 -6.542 427 2HZ LYS 20 2HZ LYS 20 2.268 13.083 -6.583 428 3HZ LYS 20 3HZ LYS 20 2.077 12.163 -7.997 429 H ALA 21 H ALA 21 -4.904 14.898 -11.550 430 HA ALA 21 HA ALA 21 -2.865 17.004 -12.196 431 1HB ALA 21 1HB ALA 21 -4.126 17.504 -14.044 432 2HB ALA 21 2HB ALA 21 -5.649 17.203 -13.207 433 3HB ALA 21 3HB ALA 21 -4.705 15.852 -13.834 434 HA PRO 22 HA PRO 22 -5.191 18.549 -8.553 435 1HB PRO 22 2HB PRO 22 -3.041 19.802 -7.417 436 2HB PRO 22 1HB PRO 22 -3.397 18.082 -7.166 437 1HG PRO 22 2HG PRO 22 -1.404 19.358 -8.964 438 2HG PRO 22 1HG PRO 22 -1.283 17.865 -8.021 439 1HD PRO 22 2HD PRO 22 -1.771 17.938 -10.715 440 2HD PRO 22 1HD PRO 22 -2.268 16.606 -9.649 441 H THR 23 H THR 23 -4.776 21.051 -7.652 442 HA THR 23 HA THR 23 -5.578 22.763 -9.821 443 HB THR 23 HB THR 23 -4.529 23.448 -7.061 444 HG1 THR 23 HG1 THR 23 -7.205 23.014 -7.868 445 1HG2 THR 23 1HG2 THR 23 -5.615 25.004 -9.256 446 2HG2 THR 23 2HG2 THR 23 -4.909 25.560 -7.740 447 3HG2 THR 23 3HG2 THR 23 -6.623 25.151 -7.816 448 H ASN 24 H ASN 24 -2.698 23.037 -7.746 449 HA ASN 24 HA ASN 24 -0.970 23.546 -10.080 450 1HB ASN 24 2HB ASN 24 -2.335 25.656 -9.290 451 2HB ASN 24 1HB ASN 24 -1.147 25.695 -7.986 452 1HD2 ASN 24 1HD2 ASN 24 -1.121 27.822 -9.795 453 2HD2 ASN 24 2HD2 ASN 24 0.241 27.711 -10.801 454 H GLU 25 H GLU 25 -1.270 23.717 -6.521 455 HA GLU 25 HA GLU 25 1.610 23.052 -6.222 456 1HB GLU 25 2HB GLU 25 -0.654 23.934 -4.430 457 2HB GLU 25 1HB GLU 25 0.867 23.355 -3.749 458 1HG GLU 25 2HG GLU 25 2.017 25.048 -5.305 459 2HG GLU 25 1HG GLU 25 0.415 25.750 -5.535 460 H PHE 26 H PHE 26 2.108 21.309 -4.539 461 HA PHE 26 HA PHE 26 0.865 18.811 -5.288 462 1HB PHE 26 2HB PHE 26 3.214 19.036 -4.631 463 2HB PHE 26 1HB PHE 26 2.734 19.609 -3.032 464 HD1 PHE 26 HD1 PHE 26 2.498 16.689 -5.347 465 HD2 PHE 26 HD2 PHE 26 2.225 18.087 -1.293 466 HE1 PHE 26 HE1 PHE 26 2.348 14.344 -4.549 467 HE2 PHE 26 HE2 PHE 26 2.075 15.744 -0.494 468 HZ PHE 26 HZ PHE 26 2.136 13.872 -2.121 469 H TYR 27 H TYR 27 -1.427 19.503 -4.700 470 HA TYR 27 HA TYR 27 -2.042 19.658 -1.814 471 1HB TYR 27 2HB TYR 27 -3.093 20.908 -3.877 472 2HB TYR 27 1HB TYR 27 -4.038 19.429 -4.054 473 HD1 TYR 27 HD1 TYR 27 -5.148 18.520 -1.836 474 HD2 TYR 27 HD2 TYR 27 -3.866 22.578 -2.438 475 HE1 TYR 27 HE1 TYR 27 -6.661 19.267 -0.017 476 HE2 TYR 27 HE2 TYR 27 -5.380 23.325 -0.618 477 HH TYR 27 HH TYR 27 -7.080 21.024 1.417 478 H ALA 28 HN ALA 28 -2.334 17.796 -0.654 479 HA ALA 28 HA ALA 28 -3.514 15.423 -2.058 480 1HB ALA 28 1HB ALA 28 -1.440 14.530 -1.818 481 2HB ALA 28 2HB ALA 28 -1.814 14.426 -0.098 482 3HB ALA 28 3HB ALA 28 -0.932 15.818 -0.726 Start of MODEL 13 1 1H ARG 1 1HT ARG 1 20.245 -7.906 -32.717 2 2H ARG 1 2HT ARG 1 20.229 -8.258 -34.379 3 3H ARG 1 3HT ARG 1 20.227 -9.518 -33.240 4 HA ARG 1 HA ARG 1 18.023 -7.684 -33.965 5 1HB ARG 1 2HB ARG 1 18.476 -10.672 -33.700 6 2HB ARG 1 1HB ARG 1 16.914 -9.951 -34.087 7 1HG ARG 1 2HG ARG 1 17.821 -8.948 -36.109 8 2HG ARG 1 1HG ARG 1 19.442 -9.510 -35.699 9 1HD ARG 1 2HD ARG 1 18.996 -11.680 -36.333 10 2HD ARG 1 1HD ARG 1 17.297 -11.584 -35.831 11 HE ARG 1 HE ARG 1 17.746 -9.767 -38.004 12 1HH1 ARG 1 1HH2 ARG 1 18.863 -12.836 -38.187 13 2HH1 ARG 1 2HH2 ARG 1 17.704 -13.423 -39.333 14 1HH2 ARG 1 1HH1 ARG 1 15.652 -10.637 -39.085 15 2HH2 ARG 1 2HH1 ARG 1 15.887 -12.178 -39.843 16 H MET 2 H MET 2 18.330 -6.633 -31.741 17 HA MET 2 HA MET 2 17.748 -8.264 -29.376 18 1HB MET 2 2HB MET 2 19.074 -5.962 -29.824 19 2HB MET 2 1HB MET 2 17.499 -5.291 -29.399 20 1HG MET 2 2HG MET 2 17.756 -7.169 -27.455 21 2HG MET 2 1HG MET 2 19.450 -6.745 -27.707 22 1HE MET 2 1HE MET 2 18.833 -4.978 -24.580 23 2HE MET 2 2HE MET 2 20.227 -4.752 -25.634 24 3HE MET 2 3HE MET 2 19.482 -6.343 -25.499 25 H LYS 3 H LYS 3 15.643 -9.153 -29.678 26 HA LYS 3 HA LYS 3 13.420 -7.280 -29.207 27 1HB LYS 3 2HB LYS 3 14.186 -7.929 -31.815 28 2HB LYS 3 1HB LYS 3 12.816 -8.993 -31.494 29 1HG LYS 3 2HG LYS 3 12.112 -6.473 -30.425 30 2HG LYS 3 1HG LYS 3 12.810 -6.155 -32.013 31 1HD LYS 3 2HD LYS 3 11.216 -8.398 -32.433 32 2HD LYS 3 1HD LYS 3 10.260 -7.404 -31.332 33 1HE LYS 3 2HE LYS 3 11.170 -5.501 -33.081 34 2HE LYS 3 1HE LYS 3 10.981 -6.902 -34.154 35 1HZ LYS 3 1HZ LYS 3 8.779 -7.273 -33.116 36 2HZ LYS 3 2HZ LYS 3 8.872 -5.810 -33.975 37 3HZ LYS 3 3HZ LYS 3 8.953 -5.809 -32.278 38 H LYS 4 H LYS 4 13.987 -9.022 -27.339 39 HA LYS 4 HA LYS 4 12.048 -11.272 -27.724 40 1HB LYS 4 2HB LYS 4 14.532 -11.859 -27.964 41 2HB LYS 4 1HB LYS 4 14.682 -11.479 -26.248 42 1HG LYS 4 2HG LYS 4 13.088 -13.190 -25.654 43 2HG LYS 4 1HG LYS 4 12.685 -13.472 -27.348 44 1HD LYS 4 2HD LYS 4 15.163 -14.058 -27.676 45 2HD LYS 4 1HD LYS 4 15.264 -14.124 -25.915 46 1HE LYS 4 2HE LYS 4 13.064 -15.640 -27.296 47 2HE LYS 4 1HE LYS 4 14.700 -16.329 -27.247 48 1HZ LYS 4 1HZ LYS 4 14.709 -15.794 -24.824 49 2HZ LYS 4 2HZ LYS 4 13.603 -17.005 -25.265 50 3HZ LYS 4 3HZ LYS 4 13.058 -15.428 -24.944 51 H LYS 5 H LYS 5 10.482 -11.059 -26.177 52 HA LYS 5 HA LYS 5 11.285 -10.241 -23.422 53 1HB LYS 5 2HB LYS 5 10.312 -8.436 -25.189 54 2HB LYS 5 1HB LYS 5 8.793 -9.065 -24.548 55 1HG LYS 5 2HG LYS 5 9.932 -8.733 -22.217 56 2HG LYS 5 1HG LYS 5 11.012 -7.648 -23.092 57 1HD LYS 5 2HD LYS 5 8.749 -6.674 -24.051 58 2HD LYS 5 1HD LYS 5 8.069 -7.387 -22.587 59 1HE LYS 5 2HE LYS 5 9.071 -5.844 -21.225 60 2HE LYS 5 1HE LYS 5 10.565 -5.830 -22.185 61 1HZ LYS 5 1HZ LYS 5 9.428 -4.596 -23.907 62 2HZ LYS 5 2HZ LYS 5 9.313 -3.754 -22.437 63 3HZ LYS 5 3HZ LYS 5 7.980 -4.627 -23.025 64 H ASP 6 H ASP 6 10.401 -11.705 -22.021 65 HA ASP 6 HA ASP 6 8.235 -13.496 -22.938 66 1HB ASP 6 2HB ASP 6 10.007 -13.307 -20.486 67 2HB ASP 6 1HB ASP 6 8.771 -14.551 -20.681 68 H GLU 7 H GLU 7 6.381 -13.893 -21.393 69 HA GLU 7 HA GLU 7 5.436 -11.299 -20.238 70 1HB GLU 7 2HB GLU 7 4.264 -13.573 -21.728 71 2HB GLU 7 1HB GLU 7 3.255 -12.938 -20.428 72 1HG GLU 7 2HG GLU 7 3.010 -10.874 -21.436 73 2HG GLU 7 1HG GLU 7 4.569 -10.974 -22.256 74 H GLY 8 H GLY 8 3.772 -11.771 -18.359 75 1HA GLY 8 2HA GLY 8 5.222 -13.340 -16.338 76 2HA GLY 8 1HA GLY 8 3.817 -12.315 -16.041 77 H SER 9 H SER 9 1.705 -13.173 -16.919 78 HA SER 9 HA SER 9 1.638 -16.149 -17.139 79 1HB SER 9 2HB SER 9 0.295 -14.373 -15.094 80 2HB SER 9 1HB SER 9 -0.303 -15.992 -15.448 81 HG SER 9 HG SER 9 1.889 -16.709 -15.003 82 H TYR 10 H TYR 10 -1.017 -13.871 -16.548 83 HA TYR 10 HA TYR 10 -2.142 -14.613 -19.219 84 1HB TYR 10 2HB TYR 10 -3.163 -14.689 -16.649 85 2HB TYR 10 1HB TYR 10 -3.834 -13.188 -17.284 86 HD1 TYR 10 HD1 TYR 10 -5.362 -13.185 -19.186 87 HD2 TYR 10 HD2 TYR 10 -3.685 -16.849 -17.692 88 HE1 TYR 10 HE1 TYR 10 -7.011 -14.481 -20.511 89 HE2 TYR 10 HE2 TYR 10 -5.334 -18.145 -19.016 90 HH TYR 10 HH TYR 10 -6.737 -17.510 -21.332 91 H ASP 11 H ASP 11 -2.272 -11.767 -17.029 92 HA ASP 11 HA ASP 11 -1.254 -9.976 -19.082 93 1HB ASP 11 2HB ASP 11 -4.067 -10.657 -18.953 94 2HB ASP 11 1HB ASP 11 -3.839 -8.931 -18.669 95 H LEU 12 H LEU 12 -0.747 -10.549 -16.279 96 HA LEU 12 HA LEU 12 -1.833 -8.367 -14.667 97 1HB LEU 12 2HB LEU 12 -0.165 -9.283 -13.027 98 2HB LEU 12 1HB LEU 12 -1.226 -10.523 -13.696 99 HG LEU 12 HG LEU 12 0.968 -10.303 -15.472 100 1HD1 LEU 12 1HD1 LEU 12 1.759 -9.439 -12.919 101 2HD1 LEU 12 2HD1 LEU 12 2.818 -9.943 -14.236 102 3HD1 LEU 12 3HD1 LEU 12 2.299 -11.114 -13.023 103 1HD2 LEU 12 1HD2 LEU 12 -0.461 -12.303 -14.789 104 2HD2 LEU 12 2HD2 LEU 12 0.537 -12.409 -13.339 105 3HD2 LEU 12 3HD2 LEU 12 1.267 -12.621 -14.931 106 H GLY 13 H GLY 13 0.241 -8.261 -17.189 107 1HA GLY 13 2HA GLY 13 2.447 -6.731 -16.122 108 2HA GLY 13 1HA GLY 13 1.987 -6.821 -17.824 109 H LYS 14 H LYS 14 -0.816 -6.014 -16.449 110 HA LYS 14 HA LYS 14 -0.616 -3.216 -17.218 111 1HB LYS 14 2HB LYS 14 -2.781 -4.827 -15.831 112 2HB LYS 14 1HB LYS 14 -3.007 -3.248 -16.583 113 1HG LYS 14 2HG LYS 14 -2.039 -4.366 -18.718 114 2HG LYS 14 1HG LYS 14 -2.403 -5.888 -17.904 115 1HD LYS 14 2HD LYS 14 -4.757 -5.170 -17.630 116 2HD LYS 14 1HD LYS 14 -4.388 -3.669 -18.480 117 1HE LYS 14 2HE LYS 14 -3.737 -6.301 -19.792 118 2HE LYS 14 1HE LYS 14 -5.394 -5.669 -19.851 119 1HZ LYS 14 1HZ LYS 14 -3.966 -4.859 -21.694 120 2HZ LYS 14 2HZ LYS 14 -2.981 -4.083 -20.548 121 3HZ LYS 14 3HZ LYS 14 -4.602 -3.613 -20.737 122 H LYS 15 H LYS 15 -0.650 -1.405 -15.802 123 HA LYS 15 HA LYS 15 -0.774 -1.860 -12.879 124 1HB LYS 15 2HB LYS 15 1.675 -1.418 -14.480 125 2HB LYS 15 1HB LYS 15 1.536 -0.401 -13.045 126 1HG LYS 15 2HG LYS 15 0.940 -2.562 -11.780 127 2HG LYS 15 1HG LYS 15 1.543 -3.418 -13.201 128 1HD LYS 15 2HD LYS 15 3.131 -1.366 -11.630 129 2HD LYS 15 1HD LYS 15 3.294 -3.113 -11.447 130 1HE LYS 15 2HE LYS 15 4.507 -3.312 -13.370 131 2HE LYS 15 1HE LYS 15 3.472 -2.164 -14.243 132 1HZ LYS 15 1HZ LYS 15 5.480 -1.449 -12.170 133 2HZ LYS 15 2HZ LYS 15 4.478 -0.355 -12.999 134 3HZ LYS 15 3HZ LYS 15 5.673 -1.222 -13.840 135 HA PRO 16 HA PRO 16 -2.481 2.183 -13.061 136 1HB PRO 16 2HB PRO 16 -2.045 2.997 -10.485 137 2HB PRO 16 1HB PRO 16 -3.273 1.791 -10.924 138 1HG PRO 16 2HG PRO 16 -0.563 1.398 -9.765 139 2HG PRO 16 1HG PRO 16 -2.069 0.525 -9.442 140 1HD PRO 16 2HD PRO 16 -0.063 -0.427 -11.042 141 2HD PRO 16 1HD PRO 16 -1.768 -0.902 -11.197 142 H ILE 17 H ILE 17 -1.850 4.470 -12.970 143 HA ILE 17 HA ILE 17 0.902 5.198 -12.316 144 HB ILE 17 HB ILE 17 1.195 5.957 -14.773 145 1HG1 ILE 17 2HG1 ILE 17 -0.836 3.772 -15.246 146 2HG1 ILE 17 1HG1 ILE 17 -1.270 5.481 -15.254 147 1HG2 ILE 17 1HG2 ILE 17 2.365 4.002 -15.231 148 2HG2 ILE 17 2HG2 ILE 17 1.098 2.971 -14.568 149 3HG2 ILE 17 3HG2 ILE 17 2.165 3.863 -13.484 150 1HD1 ILE 17 1HD1 ILE 17 -0.660 5.507 -17.425 151 2HD1 ILE 17 2HD1 ILE 17 0.092 3.917 -17.302 152 3HD1 ILE 17 3HD1 ILE 17 1.005 5.361 -16.861 153 H TYR 18 H TYR 18 -0.873 6.466 -11.003 154 HA TYR 18 HA TYR 18 -2.294 8.581 -12.432 155 1HB TYR 18 2HB TYR 18 -2.184 7.341 -9.832 156 2HB TYR 18 1HB TYR 18 -2.125 9.094 -9.649 157 HD1 TYR 18 HD1 TYR 18 -4.390 6.706 -9.321 158 HD2 TYR 18 HD2 TYR 18 -3.695 10.046 -11.935 159 HE1 TYR 18 HE1 TYR 18 -6.821 6.838 -9.798 160 HE2 TYR 18 HE2 TYR 18 -6.127 10.178 -12.411 161 HH TYR 18 HH TYR 18 -8.443 8.707 -10.566 162 H LYS 19 H LYS 19 -1.890 10.703 -10.615 163 HA LYS 19 HA LYS 19 -0.517 12.582 -10.258 164 1HB LYS 19 2HB LYS 19 0.893 10.283 -9.591 165 2HB LYS 19 1HB LYS 19 2.002 11.141 -10.663 166 1HG LYS 19 2HG LYS 19 1.428 13.234 -9.254 167 2HG LYS 19 1HG LYS 19 0.782 12.094 -8.073 168 1HD LYS 19 2HD LYS 19 3.214 10.963 -8.693 169 2HD LYS 19 1HD LYS 19 3.577 12.687 -8.766 170 1HE LYS 19 2HE LYS 19 3.928 12.085 -6.478 171 2HE LYS 19 1HE LYS 19 2.326 12.848 -6.497 172 1HZ LYS 19 1HZ LYS 19 2.365 10.653 -5.364 173 2HZ LYS 19 2HZ LYS 19 2.782 9.935 -6.846 174 3HZ LYS 19 3HZ LYS 19 1.287 10.723 -6.673 175 H LYS 20 H LYS 20 -1.130 13.529 -12.314 176 HA LYS 20 HA LYS 20 1.040 14.171 -14.060 177 1HB LYS 20 2HB LYS 20 0.853 11.838 -14.726 178 2HB LYS 20 1HB LYS 20 -0.882 12.017 -14.980 179 1HG LYS 20 2HG LYS 20 -0.147 13.939 -16.624 180 2HG LYS 20 1HG LYS 20 1.391 13.075 -16.629 181 1HD LYS 20 2HD LYS 20 0.102 10.971 -17.181 182 2HD LYS 20 1HD LYS 20 -1.327 11.982 -17.399 183 1HE LYS 20 2HE LYS 20 1.268 12.506 -18.879 184 2HE LYS 20 1HE LYS 20 -0.030 11.493 -19.541 185 1HZ LYS 20 1HZ LYS 20 -1.562 13.391 -18.964 186 2HZ LYS 20 2HZ LYS 20 -0.501 13.672 -20.261 187 3HZ LYS 20 3HZ LYS 20 -0.176 14.341 -18.733 188 H ALA 21 H ALA 21 0.040 16.257 -13.742 189 HA ALA 21 HA ALA 21 -1.993 16.923 -15.728 190 1HB ALA 21 1HB ALA 21 -3.838 16.993 -14.383 191 2HB ALA 21 2HB ALA 21 -2.925 17.623 -13.012 192 3HB ALA 21 3HB ALA 21 -2.915 15.894 -13.357 193 HA PRO 22 HA PRO 22 0.855 20.293 -14.264 194 1HB PRO 22 2HB PRO 22 1.879 20.882 -16.733 195 2HB PRO 22 1HB PRO 22 2.571 19.639 -15.672 196 1HG PRO 22 2HG PRO 22 0.790 19.333 -18.034 197 2HG PRO 22 1HG PRO 22 2.149 18.328 -17.506 198 1HD PRO 22 2HD PRO 22 -0.476 17.669 -17.109 199 2HD PRO 22 1HD PRO 22 0.855 17.105 -16.074 200 H THR 23 H THR 23 -1.624 20.987 -14.170 201 HA THR 23 HA THR 23 -1.877 23.397 -15.837 202 HB THR 23 HB THR 23 -4.259 22.438 -16.497 203 HG1 THR 23 HG1 THR 23 -4.237 20.224 -16.690 204 1HG2 THR 23 1HG2 THR 23 -2.004 22.888 -17.864 205 2HG2 THR 23 2HG2 THR 23 -3.395 22.094 -18.602 206 3HG2 THR 23 3HG2 THR 23 -2.044 21.131 -18.004 207 H ASN 24 H ASN 24 -3.112 24.932 -14.753 208 HA ASN 24 HA ASN 24 -4.197 24.146 -12.098 209 1HB ASN 24 2HB ASN 24 -2.566 26.070 -12.575 210 2HB ASN 24 1HB ASN 24 -3.929 26.903 -13.322 211 1HD2 ASN 24 1HD2 ASN 24 -2.582 27.815 -10.891 212 2HD2 ASN 24 2HD2 ASN 24 -3.723 27.757 -9.636 213 H GLU 25 H GLU 25 -5.214 25.773 -15.108 214 HA GLU 25 HA GLU 25 -8.056 25.581 -14.177 215 1HB GLU 25 2HB GLU 25 -6.412 27.523 -15.668 216 2HB GLU 25 1HB GLU 25 -7.996 27.229 -16.383 217 1HG GLU 25 2HG GLU 25 -8.571 27.419 -13.683 218 2HG GLU 25 1HG GLU 25 -7.303 28.627 -13.901 219 H PHE 26 H PHE 26 -9.641 24.991 -15.885 220 HA PHE 26 HA PHE 26 -9.039 22.611 -17.280 221 1HB PHE 26 2HB PHE 26 -11.125 24.775 -17.664 222 2HB PHE 26 1HB PHE 26 -11.175 23.237 -18.526 223 HD1 PHE 26 HD1 PHE 26 -11.255 21.080 -17.195 224 HD2 PHE 26 HD2 PHE 26 -11.843 24.940 -15.402 225 HE1 PHE 26 HE1 PHE 26 -12.307 20.003 -15.222 226 HE2 PHE 26 HE2 PHE 26 -12.894 23.864 -13.429 227 HZ PHE 26 HZ PHE 26 -13.126 21.396 -13.339 228 H TYR 27 H TYR 27 -9.576 22.653 -19.867 229 HA TYR 27 HA TYR 27 -8.173 24.859 -21.250 230 1HB TYR 27 2HB TYR 27 -6.512 23.249 -22.201 231 2HB TYR 27 1HB TYR 27 -6.369 23.406 -20.451 232 HD1 TYR 27 HD1 TYR 27 -7.708 21.267 -23.181 233 HD2 TYR 27 HD2 TYR 27 -6.808 21.563 -18.989 234 HE1 TYR 27 HE1 TYR 27 -8.092 18.829 -22.926 235 HE2 TYR 27 HE2 TYR 27 -7.193 19.126 -18.735 236 HH TYR 27 HH TYR 27 -8.254 17.312 -19.799 237 H ALA 28 HN ALA 28 -7.837 23.781 -23.715 238 HA ALA 28 HA ALA 28 -10.305 22.291 -24.449 239 1HB ALA 28 1HB ALA 28 -10.900 24.063 -26.064 240 2HB ALA 28 2HB ALA 28 -9.509 25.012 -25.539 241 3HB ALA 28 3HB ALA 28 -10.843 24.712 -24.425 242 1H ARG 1 1HT ARG 1 -25.382 -10.163 2.824 243 2H ARG 1 2HT ARG 1 -25.373 -10.832 4.387 244 3H ARG 1 3HT ARG 1 -25.448 -11.846 3.025 245 HA ARG 1 HA ARG 1 -23.142 -10.305 4.052 246 1HB ARG 1 2HB ARG 1 -23.759 -13.155 3.218 247 2HB ARG 1 1HB ARG 1 -22.157 -12.606 3.710 248 1HG ARG 1 2HG ARG 1 -22.992 -11.976 5.906 249 2HG ARG 1 1HG ARG 1 -24.645 -12.361 5.425 250 1HD ARG 1 2HD ARG 1 -24.310 -14.635 5.612 251 2HD ARG 1 1HD ARG 1 -22.612 -14.527 5.105 252 HE ARG 1 HE ARG 1 -22.943 -13.152 7.598 253 1HH1 ARG 1 1HH2 ARG 1 -24.229 -16.132 7.203 254 2HH1 ARG 1 2HH2 ARG 1 -23.097 -16.992 8.193 255 1HH2 ARG 1 1HH1 ARG 1 -20.893 -14.328 8.451 256 2HH2 ARG 1 2HH1 ARG 1 -21.208 -15.972 8.896 257 H MET 2 H MET 2 -23.406 -8.826 2.080 258 HA MET 2 HA MET 2 -22.935 -9.993 -0.568 259 1HB MET 2 2HB MET 2 -24.127 -7.757 0.346 260 2HB MET 2 1HB MET 2 -22.521 -7.100 0.030 261 1HG MET 2 2HG MET 2 -22.901 -8.542 -2.239 262 2HG MET 2 1HG MET 2 -24.565 -8.087 -1.875 263 1HE MET 2 1HE MET 2 -23.874 -5.776 -4.608 264 2HE MET 2 2HE MET 2 -25.246 -5.687 -3.506 265 3HE MET 2 3HE MET 2 -24.592 -7.258 -3.963 266 H LYS 3 H LYS 3 -20.881 -11.035 -0.486 267 HA LYS 3 HA LYS 3 -18.561 -9.228 -0.624 268 1HB LYS 3 2HB LYS 3 -19.340 -10.331 1.820 269 2HB LYS 3 1HB LYS 3 -18.037 -11.385 1.273 270 1HG LYS 3 2HG LYS 3 -17.200 -8.748 0.700 271 2HG LYS 3 1HG LYS 3 -17.865 -8.707 2.333 272 1HD LYS 3 2HD LYS 3 -16.394 -11.071 2.280 273 2HD LYS 3 1HD LYS 3 -15.395 -9.933 1.374 274 1HE LYS 3 2HE LYS 3 -16.182 -8.361 3.475 275 2HE LYS 3 1HE LYS 3 -16.065 -9.952 4.253 276 1HZ LYS 3 1HZ LYS 3 -13.895 -10.232 3.122 277 2HZ LYS 3 2HZ LYS 3 -13.899 -8.963 4.251 278 3HZ LYS 3 3HZ LYS 3 -13.992 -8.625 2.588 279 H LYS 4 H LYS 4 -19.245 -10.540 -2.785 280 HA LYS 4 HA LYS 4 -17.427 -12.919 -2.884 281 1HB LYS 4 2HB LYS 4 -19.937 -13.411 -2.718 282 2HB LYS 4 1HB LYS 4 -20.080 -12.695 -4.324 283 1HG LYS 4 2HG LYS 4 -18.589 -14.339 -5.270 284 2HG LYS 4 1HG LYS 4 -18.188 -14.968 -3.672 285 1HD LYS 4 2HD LYS 4 -20.692 -15.475 -3.416 286 2HD LYS 4 1HD LYS 4 -20.812 -15.187 -5.152 287 1HE LYS 4 2HE LYS 4 -18.690 -17.063 -4.140 288 2HE LYS 4 1HE LYS 4 -20.362 -17.639 -4.290 289 1HZ LYS 4 1HZ LYS 4 -20.361 -16.638 -6.561 290 2HZ LYS 4 2HZ LYS 4 -19.323 -17.971 -6.386 291 3HZ LYS 4 3HZ LYS 4 -18.691 -16.395 -6.404 292 H LYS 5 H LYS 5 -15.865 -12.494 -4.391 293 HA LYS 5 HA LYS 5 -16.643 -11.108 -6.916 294 1HB LYS 5 2HB LYS 5 -15.555 -9.742 -4.849 295 2HB LYS 5 1HB LYS 5 -14.080 -10.311 -5.631 296 1HG LYS 5 2HG LYS 5 -15.221 -9.468 -7.828 297 2HG LYS 5 1HG LYS 5 -16.230 -8.520 -6.734 298 1HD LYS 5 2HD LYS 5 -13.905 -7.874 -5.653 299 2HD LYS 5 1HD LYS 5 -13.282 -8.322 -7.241 300 1HE LYS 5 2HE LYS 5 -14.209 -6.491 -8.255 301 2HE LYS 5 1HE LYS 5 -15.690 -6.588 -7.282 302 1HZ LYS 5 1HZ LYS 5 -14.470 -5.775 -5.375 303 2HZ LYS 5 2HZ LYS 5 -14.321 -4.670 -6.656 304 3HZ LYS 5 3HZ LYS 5 -13.034 -5.711 -6.274 305 H ASP 6 H ASP 6 -15.860 -12.320 -8.592 306 HA ASP 6 HA ASP 6 -13.788 -14.365 -8.086 307 1HB ASP 6 2HB ASP 6 -15.566 -13.606 -10.420 308 2HB ASP 6 1HB ASP 6 -14.400 -14.927 -10.493 309 H GLU 7 H GLU 7 -11.970 -14.551 -9.714 310 HA GLU 7 HA GLU 7 -10.892 -11.833 -10.359 311 1HB GLU 7 2HB GLU 7 -9.834 -14.414 -9.363 312 2HB GLU 7 1HB GLU 7 -8.803 -13.589 -10.533 313 1HG GLU 7 2HG GLU 7 -8.434 -11.781 -9.146 314 2HG GLU 7 1HG GLU 7 -9.990 -11.954 -8.331 315 H GLY 8 H GLY 8 -9.274 -12.015 -12.324 316 1HA GLY 8 2HA GLY 8 -10.825 -13.078 -14.585 317 2HA GLY 8 1HA GLY 8 -9.368 -12.091 -14.701 318 H SER 9 H SER 9 -7.298 -13.218 -14.047 319 HA SER 9 HA SER 9 -7.396 -16.178 -14.415 320 1HB SER 9 2HB SER 9 -5.973 -14.111 -16.101 321 2HB SER 9 1HB SER 9 -5.465 -15.798 -16.082 322 HG SER 9 HG SER 9 -7.697 -16.295 -16.614 323 H TYR 10 H TYR 10 -4.625 -13.970 -14.601 324 HA TYR 10 HA TYR 10 -3.521 -15.282 -12.150 325 1HB TYR 10 2HB TYR 10 -2.527 -14.905 -14.705 326 2HB TYR 10 1HB TYR 10 -1.767 -13.595 -13.800 327 HD1 TYR 10 HD1 TYR 10 -0.225 -14.049 -11.966 328 HD2 TYR 10 HD2 TYR 10 -2.120 -17.252 -14.114 329 HE1 TYR 10 HE1 TYR 10 1.359 -15.667 -10.951 330 HE2 TYR 10 HE2 TYR 10 -0.536 -18.870 -13.099 331 HH TYR 10 HH TYR 10 0.922 -18.777 -10.732 332 H ASP 11 H ASP 11 -3.262 -12.070 -13.744 333 HA ASP 11 HA ASP 11 -4.159 -10.668 -11.357 334 1HB ASP 11 2HB ASP 11 -1.389 -11.461 -11.671 335 2HB ASP 11 1HB ASP 11 -1.520 -9.702 -11.609 336 H LEU 12 H LEU 12 -4.708 -10.650 -14.217 337 HA LEU 12 HA LEU 12 -3.514 -8.252 -15.384 338 1HB LEU 12 2HB LEU 12 -5.241 -8.736 -17.144 339 2HB LEU 12 1HB LEU 12 -4.239 -10.134 -16.752 340 HG LEU 12 HG LEU 12 -6.406 -10.170 -14.929 341 1HD1 LEU 12 1HD1 LEU 12 -7.170 -8.776 -17.249 342 2HD1 LEU 12 2HD1 LEU 12 -8.242 -9.474 -16.036 343 3HD1 LEU 12 3HD1 LEU 12 -7.798 -10.411 -17.463 344 1HD2 LEU 12 1HD2 LEU 12 -5.081 -12.055 -16.028 345 2HD2 LEU 12 2HD2 LEU 12 -6.101 -11.822 -17.448 346 3HD2 LEU 12 3HD2 LEU 12 -6.822 -12.315 -15.915 347 H GLY 13 H GLY 13 -5.566 -8.535 -12.857 348 1HA GLY 13 2HA GLY 13 -7.687 -6.708 -13.568 349 2HA GLY 13 1HA GLY 13 -7.225 -7.156 -11.924 350 H LYS 14 H LYS 14 -4.388 -6.246 -13.165 351 HA LYS 14 HA LYS 14 -4.422 -3.645 -11.859 352 1HB LYS 14 2HB LYS 14 -2.362 -5.072 -13.570 353 2HB LYS 14 1HB LYS 14 -2.040 -3.684 -12.529 354 1HG LYS 14 2HG LYS 14 -3.053 -5.144 -10.634 355 2HG LYS 14 1HG LYS 14 -2.785 -6.495 -11.735 356 1HD LYS 14 2HD LYS 14 -0.397 -5.866 -11.913 357 2HD LYS 14 1HD LYS 14 -0.669 -4.543 -10.779 358 1HE LYS 14 2HE LYS 14 -1.457 -7.344 -9.993 359 2HE LYS 14 1HE LYS 14 0.235 -6.824 -9.846 360 1HZ LYS 14 1HZ LYS 14 -1.130 -6.317 -7.852 361 2HZ LYS 14 2HZ LYS 14 -2.080 -5.280 -8.806 362 3HZ LYS 14 3HZ LYS 14 -0.434 -4.942 -8.560 363 H LYS 15 H LYS 15 -4.324 -1.600 -12.894 364 HA LYS 15 HA LYS 15 -4.223 -1.483 -15.854 365 1HB LYS 15 2HB LYS 15 -6.635 -1.224 -14.158 366 2HB LYS 15 1HB LYS 15 -6.445 0.039 -15.375 367 1HG LYS 15 2HG LYS 15 -5.987 -1.868 -17.040 368 2HG LYS 15 1HG LYS 15 -6.627 -2.946 -15.797 369 1HD LYS 15 2HD LYS 15 -8.105 -0.543 -16.908 370 2HD LYS 15 1HD LYS 15 -8.373 -2.208 -17.427 371 1HE LYS 15 2HE LYS 15 -9.574 -2.717 -15.554 372 2HE LYS 15 1HE LYS 15 -8.468 -1.820 -14.495 373 1HZ LYS 15 1HZ LYS 15 -10.452 -0.603 -16.346 374 2HZ LYS 15 2HZ LYS 15 -9.381 0.249 -15.339 375 3HZ LYS 15 3HZ LYS 15 -10.616 -0.702 -14.661 376 HA PRO 16 HA PRO 16 -2.294 2.352 -14.917 377 1HB PRO 16 2HB PRO 16 -2.701 3.677 -17.275 378 2HB PRO 16 1HB PRO 16 -1.540 2.346 -17.102 379 1HG PRO 16 2HG PRO 16 -4.274 2.332 -18.268 380 2HG PRO 16 1HG PRO 16 -2.821 1.461 -18.783 381 1HD PRO 16 2HD PRO 16 -4.867 0.320 -17.364 382 2HD PRO 16 1HD PRO 16 -3.190 -0.265 -17.335 383 H ILE 17 H ILE 17 -2.796 4.645 -14.553 384 HA ILE 17 HA ILE 17 -5.509 5.632 -15.000 385 HB ILE 17 HB ILE 17 -5.745 5.912 -12.440 386 1HG1 ILE 17 2HG1 ILE 17 -3.816 3.585 -12.437 387 2HG1 ILE 17 1HG1 ILE 17 -3.307 5.239 -12.091 388 1HG2 ILE 17 1HG2 ILE 17 -7.009 3.963 -12.345 389 2HG2 ILE 17 2HG2 ILE 17 -5.803 3.019 -13.219 390 3HG2 ILE 17 3HG2 ILE 17 -6.833 4.157 -14.088 391 1HD1 ILE 17 1HD1 ILE 17 -3.901 4.840 -9.950 392 2HD1 ILE 17 2HD1 ILE 17 -4.736 3.349 -10.386 393 3HD1 ILE 17 3HD1 ILE 17 -5.573 4.897 -10.508 394 H TYR 18 H TYR 18 -3.673 7.034 -16.074 395 HA TYR 18 HA TYR 18 -2.124 8.752 -14.288 396 1HB TYR 18 2HB TYR 18 -2.324 8.049 -17.077 397 2HB TYR 18 1HB TYR 18 -2.287 9.804 -16.914 398 HD1 TYR 18 HD1 TYR 18 -0.162 7.410 -17.744 399 HD2 TYR 18 HD2 TYR 18 -0.646 10.205 -14.516 400 HE1 TYR 18 HE1 TYR 18 2.277 7.317 -17.299 401 HE2 TYR 18 HE2 TYR 18 1.793 10.112 -14.070 402 HH TYR 18 HH TYR 18 4.008 8.908 -16.215 403 H LYS 19 H LYS 19 -2.411 11.210 -15.627 404 HA LYS 19 HA LYS 19 -3.680 13.191 -15.598 405 1HB LYS 19 2HB LYS 19 -5.218 11.147 -16.685 406 2HB LYS 19 1HB LYS 19 -6.273 11.830 -15.446 407 1HG LYS 19 2HG LYS 19 -5.599 14.131 -16.423 408 2HG LYS 19 1HG LYS 19 -5.030 13.214 -17.819 409 1HD LYS 19 2HD LYS 19 -7.513 12.108 -17.380 410 2HD LYS 19 1HD LYS 19 -7.782 13.802 -16.964 411 1HE LYS 19 2HE LYS 19 -8.189 13.679 -19.317 412 2HE LYS 19 1HE LYS 19 -6.545 14.336 -19.186 413 1HZ LYS 19 1HZ LYS 19 -6.720 12.410 -20.722 414 2HZ LYS 19 2HZ LYS 19 -7.167 11.440 -19.401 415 3HZ LYS 19 3HZ LYS 19 -5.630 12.163 -19.448 416 H LYS 20 H LYS 20 -3.014 13.687 -13.408 417 HA LYS 20 HA LYS 20 -5.141 14.093 -11.542 418 1HB LYS 20 2HB LYS 20 -5.093 11.672 -11.337 419 2HB LYS 20 1HB LYS 20 -3.347 11.692 -11.099 420 1HG LYS 20 2HG LYS 20 -3.934 13.296 -9.092 421 2HG LYS 20 1HG LYS 20 -5.521 12.534 -9.213 422 1HD LYS 20 2HD LYS 20 -4.347 10.293 -9.122 423 2HD LYS 20 1HD LYS 20 -2.862 11.165 -8.739 424 1HE LYS 20 2HE LYS 20 -5.409 11.521 -7.130 425 2HE LYS 20 1HE LYS 20 -4.161 10.330 -6.708 426 1HZ LYS 20 1HZ LYS 20 -2.531 12.222 -6.931 427 2HZ LYS 20 2HZ LYS 20 -3.564 12.298 -5.584 428 3HZ LYS 20 3HZ LYS 20 -3.865 13.271 -6.944 429 H ALA 21 H ALA 21 -4.016 16.140 -11.468 430 HA ALA 21 HA ALA 21 -1.938 16.288 -9.423 431 1HB ALA 21 1HB ALA 21 -0.101 16.523 -10.762 432 2HB ALA 21 2HB ALA 21 -0.989 17.456 -11.968 433 3HB ALA 21 3HB ALA 21 -1.091 15.695 -11.965 434 HA PRO 22 HA PRO 22 -4.596 20.028 -10.146 435 1HB PRO 22 2HB PRO 22 -5.566 20.176 -7.591 436 2HB PRO 22 1HB PRO 22 -6.337 19.206 -8.862 437 1HG PRO 22 2HG PRO 22 -4.559 18.344 -6.639 438 2HG PRO 22 1HG PRO 22 -5.976 17.539 -7.328 439 1HD PRO 22 2HD PRO 22 -3.396 16.829 -7.895 440 2HD PRO 22 1HD PRO 22 -4.764 16.552 -8.996 441 H THR 23 H THR 23 -2.086 20.598 -10.152 442 HA THR 23 HA THR 23 -1.681 22.614 -8.053 443 HB THR 23 HB THR 23 0.647 21.419 -7.636 444 HG1 THR 23 HG1 THR 23 0.501 19.216 -7.879 445 1HG2 THR 23 1HG2 THR 23 -1.567 21.712 -6.166 446 2HG2 THR 23 2HG2 THR 23 -0.219 20.714 -5.624 447 3HG2 THR 23 3HG2 THR 23 -1.627 19.962 -6.373 448 H ASN 24 H ASN 24 -0.375 24.264 -8.843 449 HA ASN 24 HA ASN 24 0.644 23.954 -11.618 450 1HB ASN 24 2HB ASN 24 -0.875 25.828 -10.749 451 2HB ASN 24 1HB ASN 24 0.535 26.427 -9.875 452 1HD2 ASN 24 1HD2 ASN 24 -0.776 27.868 -12.055 453 2HD2 ASN 24 2HD2 ASN 24 0.351 28.001 -13.317 454 H GLU 25 H GLU 25 1.777 24.909 -8.370 455 HA GLU 25 HA GLU 25 4.596 24.747 -9.374 456 1HB GLU 25 2HB GLU 25 3.074 26.444 -7.505 457 2HB GLU 25 1HB GLU 25 4.646 25.933 -6.888 458 1HG GLU 25 2HG GLU 25 5.209 26.617 -9.510 459 2HG GLU 25 1HG GLU 25 4.014 27.825 -9.037 460 H PHE 26 H PHE 26 6.161 23.749 -7.844 461 HA PHE 26 HA PHE 26 5.436 21.178 -6.929 462 1HB PHE 26 2HB PHE 26 7.645 23.109 -6.170 463 2HB PHE 26 1HB PHE 26 7.614 21.430 -5.626 464 HD1 PHE 26 HD1 PHE 26 7.563 19.574 -7.357 465 HD2 PHE 26 HD2 PHE 26 8.349 23.676 -8.367 466 HE1 PHE 26 HE1 PHE 26 8.536 18.854 -9.522 467 HE2 PHE 26 HE2 PHE 26 9.322 22.957 -10.533 468 HZ PHE 26 HZ PHE 26 9.416 20.546 -11.111 469 H TYR 27 H TYR 27 5.996 20.683 -4.395 470 HA TYR 27 HA TYR 27 4.732 22.649 -2.582 471 1HB TYR 27 2HB TYR 27 2.993 20.974 -1.931 472 2HB TYR 27 1HB TYR 27 2.842 21.481 -3.614 473 HD1 TYR 27 HD1 TYR 27 4.083 18.779 -1.381 474 HD2 TYR 27 HD2 TYR 27 3.164 19.938 -5.415 475 HE1 TYR 27 HE1 TYR 27 4.327 16.421 -2.113 476 HE2 TYR 27 HE2 TYR 27 3.408 17.581 -6.148 477 HH TYR 27 HH TYR 27 4.379 15.538 -5.476 478 H ALA 28 HN ALA 28 4.355 21.128 -0.369 479 HA ALA 28 HA ALA 28 6.744 19.395 0.015 480 1HB ALA 28 1HB ALA 28 7.451 20.782 1.933 481 2HB ALA 28 2HB ALA 28 6.109 21.887 1.632 482 3HB ALA 28 3HB ALA 28 7.415 21.743 0.454 Start of MODEL 14 1 1H ARG 1 1HT ARG 1 18.425 3.140 -13.852 2 2H ARG 1 2HT ARG 1 17.136 3.200 -14.959 3 3H ARG 1 3HT ARG 1 18.722 3.512 -15.481 4 HA ARG 1 HA ARG 1 18.079 1.288 -16.160 5 1HB ARG 1 2HB ARG 1 20.397 2.010 -15.342 6 2HB ARG 1 1HB ARG 1 20.000 1.214 -13.820 7 1HG ARG 1 2HG ARG 1 19.782 -0.918 -14.879 8 2HG ARG 1 1HG ARG 1 19.802 -0.196 -16.488 9 1HD ARG 1 2HD ARG 1 22.163 0.337 -14.732 10 2HD ARG 1 1HD ARG 1 22.014 -1.282 -15.445 11 HE ARG 1 HE ARG 1 21.638 -0.001 -17.662 12 1HH1 ARG 1 1HH2 ARG 1 24.216 0.258 -15.564 13 2HH1 ARG 1 2HH2 ARG 1 24.893 1.686 -16.276 14 1HH2 ARG 1 1HH1 ARG 1 22.174 2.259 -18.351 15 2HH2 ARG 1 2HH1 ARG 1 23.736 2.818 -17.854 16 H MET 2 H MET 2 15.881 1.821 -14.466 17 HA MET 2 HA MET 2 15.714 0.257 -12.096 18 1HB MET 2 2HB MET 2 14.132 2.020 -13.023 19 2HB MET 2 1HB MET 2 13.524 0.783 -14.124 20 1HG MET 2 2HG MET 2 12.804 -0.602 -12.280 21 2HG MET 2 1HG MET 2 13.592 0.458 -11.113 22 1HE MET 2 1HE MET 2 9.706 0.231 -11.067 23 2HE MET 2 2HE MET 2 10.660 0.987 -9.794 24 3HE MET 2 3HE MET 2 11.244 -0.486 -10.566 25 H LYS 3 H LYS 3 15.084 -1.912 -11.758 26 HA LYS 3 HA LYS 3 15.173 -3.662 -14.189 27 1HB LYS 3 2HB LYS 3 16.394 -3.669 -11.555 28 2HB LYS 3 1HB LYS 3 15.509 -5.170 -11.832 29 1HG LYS 3 2HG LYS 3 16.857 -4.596 -14.250 30 2HG LYS 3 1HG LYS 3 18.029 -4.330 -12.959 31 1HD LYS 3 2HD LYS 3 16.309 -6.816 -13.176 32 2HD LYS 3 1HD LYS 3 17.955 -6.706 -13.801 33 1HE LYS 3 2HE LYS 3 18.114 -5.721 -11.166 34 2HE LYS 3 1HE LYS 3 17.090 -7.168 -11.073 35 1HZ LYS 3 1HZ LYS 3 19.396 -7.822 -10.989 36 2HZ LYS 3 2HZ LYS 3 19.734 -6.962 -12.415 37 3HZ LYS 3 3HZ LYS 3 18.728 -8.331 -12.463 38 H LYS 4 H LYS 4 13.769 -5.638 -14.041 39 HA LYS 4 HA LYS 4 11.364 -5.273 -12.300 40 1HB LYS 4 2HB LYS 4 11.646 -4.954 -15.180 41 2HB LYS 4 1HB LYS 4 10.459 -6.201 -14.791 42 1HG LYS 4 2HG LYS 4 9.544 -4.476 -13.071 43 2HG LYS 4 1HG LYS 4 10.455 -3.292 -14.009 44 1HD LYS 4 2HD LYS 4 9.284 -4.151 -16.075 45 2HD LYS 4 1HD LYS 4 8.260 -5.120 -15.014 46 1HE LYS 4 2HE LYS 4 7.855 -2.822 -13.778 47 2HE LYS 4 1HE LYS 4 8.352 -2.134 -15.338 48 1HZ LYS 4 1HZ LYS 4 6.428 -4.369 -15.218 49 2HZ LYS 4 2HZ LYS 4 6.668 -3.235 -16.461 50 3HZ LYS 4 3HZ LYS 4 5.892 -2.772 -15.023 51 H LYS 5 H LYS 5 9.880 -7.409 -13.169 52 HA LYS 5 HA LYS 5 11.580 -9.809 -13.406 53 1HB LYS 5 2HB LYS 5 11.489 -8.965 -10.965 54 2HB LYS 5 1HB LYS 5 9.801 -9.475 -10.985 55 1HG LYS 5 2HG LYS 5 10.701 -11.462 -10.286 56 2HG LYS 5 1HG LYS 5 10.945 -11.694 -12.017 57 1HD LYS 5 2HD LYS 5 13.224 -10.971 -11.886 58 2HD LYS 5 1HD LYS 5 13.008 -10.372 -10.240 59 1HE LYS 5 2HE LYS 5 12.547 -12.724 -9.492 60 2HE LYS 5 1HE LYS 5 12.940 -13.277 -11.132 61 1HZ LYS 5 1HZ LYS 5 14.720 -11.630 -9.412 62 2HZ LYS 5 2HZ LYS 5 15.086 -12.213 -10.966 63 3HZ LYS 5 3HZ LYS 5 14.896 -13.297 -9.672 64 H ASP 6 H ASP 6 10.243 -10.122 -15.321 65 HA ASP 6 HA ASP 6 7.353 -10.688 -14.781 66 1HB ASP 6 2HB ASP 6 7.178 -10.412 -17.258 67 2HB ASP 6 1HB ASP 6 7.870 -8.991 -16.476 68 H GLU 7 H GLU 7 8.225 -12.816 -13.816 69 HA GLU 7 HA GLU 7 8.581 -14.818 -16.021 70 1HB GLU 7 2HB GLU 7 10.468 -14.024 -14.170 71 2HB GLU 7 1HB GLU 7 9.772 -15.454 -13.405 72 1HG GLU 7 2HG GLU 7 10.120 -16.707 -15.545 73 2HG GLU 7 1HG GLU 7 10.947 -15.290 -16.195 74 H GLY 8 H GLY 8 6.181 -13.884 -14.404 75 1HA GLY 8 2HA GLY 8 5.177 -16.563 -13.765 76 2HA GLY 8 1HA GLY 8 5.298 -15.487 -12.372 77 H SER 9 H SER 9 3.643 -16.050 -15.417 78 HA SER 9 HA SER 9 2.013 -13.639 -15.299 79 1HB SER 9 2HB SER 9 1.012 -14.580 -17.252 80 2HB SER 9 1HB SER 9 2.696 -15.092 -17.307 81 HG SER 9 HG SER 9 2.066 -17.082 -17.079 82 H TYR 10 H TYR 10 -0.126 -13.468 -14.537 83 HA TYR 10 HA TYR 10 -1.487 -15.855 -13.433 84 1HB TYR 10 2HB TYR 10 -0.103 -13.724 -11.888 85 2HB TYR 10 1HB TYR 10 -1.684 -14.215 -11.284 86 HD1 TYR 10 HD1 TYR 10 -1.993 -16.961 -11.574 87 HD2 TYR 10 HD2 TYR 10 1.675 -14.833 -10.877 88 HE1 TYR 10 HE1 TYR 10 -0.986 -19.012 -10.605 89 HE2 TYR 10 HE2 TYR 10 2.682 -16.883 -9.908 90 HH TYR 10 HH TYR 10 2.053 -19.608 -10.314 91 H ASP 11 H ASP 11 -1.778 -12.335 -12.850 92 HA ASP 11 HA ASP 11 -4.109 -12.083 -14.605 93 1HB ASP 11 2HB ASP 11 -4.903 -13.353 -12.572 94 2HB ASP 11 1HB ASP 11 -4.474 -11.948 -11.595 95 H LEU 12 H LEU 12 -1.515 -10.716 -14.049 96 HA LEU 12 HA LEU 12 -2.593 -7.977 -13.667 97 1HB LEU 12 2HB LEU 12 -0.869 -7.513 -12.033 98 2HB LEU 12 1HB LEU 12 -1.686 -8.997 -11.541 99 HG LEU 12 HG LEU 12 0.231 -10.051 -13.124 100 1HD1 LEU 12 1HD1 LEU 12 1.758 -7.885 -11.714 101 2HD1 LEU 12 2HD1 LEU 12 1.064 -7.553 -13.301 102 3HD1 LEU 12 3HD1 LEU 12 2.233 -8.859 -13.107 103 1HD2 LEU 12 1HD2 LEU 12 -0.279 -10.676 -10.785 104 2HD2 LEU 12 2HD2 LEU 12 0.582 -9.245 -10.218 105 3HD2 LEU 12 3HD2 LEU 12 1.461 -10.535 -11.040 106 H GLY 13 H GLY 13 -1.455 -6.414 -14.904 107 1HA GLY 13 2HA GLY 13 1.094 -7.116 -16.176 108 2HA GLY 13 1HA GLY 13 -0.262 -6.981 -17.295 109 H LYS 14 H LYS 14 -1.680 -4.855 -16.399 110 HA LYS 14 HA LYS 14 0.164 -2.607 -16.933 111 1HB LYS 14 2HB LYS 14 -2.646 -3.297 -17.257 112 2HB LYS 14 1HB LYS 14 -2.455 -1.684 -16.569 113 1HG LYS 14 2HG LYS 14 -2.379 -1.308 -18.899 114 2HG LYS 14 1HG LYS 14 -0.681 -1.323 -18.421 115 1HD LYS 14 2HD LYS 14 -0.260 -3.133 -19.694 116 2HD LYS 14 1HD LYS 14 -1.624 -4.009 -19.000 117 1HE LYS 14 2HE LYS 14 -2.755 -3.726 -20.940 118 2HE LYS 14 1HE LYS 14 -2.685 -1.968 -20.701 119 1HZ LYS 14 1HZ LYS 14 -0.552 -1.875 -21.711 120 2HZ LYS 14 2HZ LYS 14 -1.545 -2.774 -22.758 121 3HZ LYS 14 3HZ LYS 14 -0.419 -3.566 -21.761 122 H LYS 15 H LYS 15 0.363 -0.787 -15.510 123 HA LYS 15 HA LYS 15 -0.512 -1.312 -12.685 124 1HB LYS 15 2HB LYS 15 1.982 -0.028 -13.841 125 2HB LYS 15 1HB LYS 15 1.598 -0.053 -12.119 126 1HG LYS 15 2HG LYS 15 1.612 -2.488 -12.103 127 2HG LYS 15 1HG LYS 15 1.852 -2.528 -13.851 128 1HD LYS 15 2HD LYS 15 4.076 -2.265 -13.619 129 2HD LYS 15 1HD LYS 15 3.850 -0.853 -12.586 130 1HE LYS 15 2HE LYS 15 3.579 -2.264 -10.617 131 2HE LYS 15 1HE LYS 15 3.632 -3.727 -11.621 132 1HZ LYS 15 1HZ LYS 15 5.827 -3.442 -10.909 133 2HZ LYS 15 2HZ LYS 15 5.787 -1.758 -11.130 134 3HZ LYS 15 3HZ LYS 15 5.823 -2.794 -12.476 135 HA PRO 16 HA PRO 16 -2.542 2.586 -12.883 136 1HB PRO 16 2HB PRO 16 -2.628 3.156 -10.209 137 2HB PRO 16 1HB PRO 16 -3.650 1.915 -10.962 138 1HG PRO 16 2HG PRO 16 -1.157 1.606 -9.376 139 2HG PRO 16 1HG PRO 16 -2.609 0.595 -9.408 140 1HD PRO 16 2HD PRO 16 -0.274 -0.029 -10.701 141 2HD PRO 16 1HD PRO 16 -1.876 -0.622 -11.193 142 H ILE 17 H ILE 17 -1.416 4.379 -13.617 143 HA ILE 17 HA ILE 17 0.887 5.352 -11.991 144 HB ILE 17 HB ILE 17 0.334 5.959 -14.894 145 1HG1 ILE 17 2HG1 ILE 17 2.316 3.960 -14.734 146 2HG1 ILE 17 1HG1 ILE 17 0.993 3.397 -13.710 147 1HG2 ILE 17 1HG2 ILE 17 2.039 7.297 -13.693 148 2HG2 ILE 17 2HG2 ILE 17 2.770 6.294 -14.946 149 3HG2 ILE 17 3HG2 ILE 17 2.882 5.811 -13.253 150 1HD1 ILE 17 1HD1 ILE 17 0.944 4.076 -16.645 151 2HD1 ILE 17 2HD1 ILE 17 -0.541 4.102 -15.689 152 3HD1 ILE 17 3HD1 ILE 17 0.387 2.608 -15.841 153 H TYR 18 H TYR 18 -1.377 6.259 -10.930 154 HA TYR 18 HA TYR 18 -2.579 8.558 -12.200 155 1HB TYR 18 2HB TYR 18 -2.854 6.954 -9.875 156 2HB TYR 18 1HB TYR 18 -2.658 8.614 -9.313 157 HD1 TYR 18 HD1 TYR 18 -5.183 6.620 -9.472 158 HD2 TYR 18 HD2 TYR 18 -3.844 10.040 -11.704 159 HE1 TYR 18 HE1 TYR 18 -7.527 7.118 -10.115 160 HE2 TYR 18 HE2 TYR 18 -6.188 10.537 -12.347 161 HH TYR 18 HH TYR 18 -8.807 8.314 -11.610 162 H LYS 19 H LYS 19 -0.956 10.079 -12.828 163 HA LYS 19 HA LYS 19 0.056 11.812 -10.715 164 1HB LYS 19 2HB LYS 19 1.511 9.503 -11.329 165 2HB LYS 19 1HB LYS 19 2.361 10.794 -12.178 166 1HG LYS 19 2HG LYS 19 1.716 11.871 -9.665 167 2HG LYS 19 1HG LYS 19 2.274 10.231 -9.335 168 1HD LYS 19 2HD LYS 19 4.288 10.668 -10.733 169 2HD LYS 19 1HD LYS 19 3.746 12.332 -10.949 170 1HE LYS 19 2HE LYS 19 3.634 12.270 -8.279 171 2HE LYS 19 1HE LYS 19 4.868 11.014 -8.510 172 1HZ LYS 19 1HZ LYS 19 5.881 13.214 -8.441 173 2HZ LYS 19 2HZ LYS 19 4.904 13.725 -9.733 174 3HZ LYS 19 3HZ LYS 19 6.072 12.515 -9.975 175 H LYS 20 H LYS 20 -1.312 11.769 -13.497 176 HA LYS 20 HA LYS 20 0.433 13.877 -14.727 177 1HB LYS 20 2HB LYS 20 0.578 11.840 -16.024 178 2HB LYS 20 1HB LYS 20 -1.174 11.637 -15.990 179 1HG LYS 20 2HG LYS 20 -1.532 13.249 -17.589 180 2HG LYS 20 1HG LYS 20 -0.135 14.204 -17.088 181 1HD LYS 20 2HD LYS 20 1.384 12.796 -18.241 182 2HD LYS 20 1HD LYS 20 0.188 11.510 -18.411 183 1HE LYS 20 2HE LYS 20 -1.146 13.429 -19.723 184 2HE LYS 20 1HE LYS 20 0.505 14.016 -20.008 185 1HZ LYS 20 1HZ LYS 20 1.150 11.947 -20.895 186 2HZ LYS 20 2HZ LYS 20 -0.339 12.300 -21.634 187 3HZ LYS 20 3HZ LYS 20 -0.262 11.175 -20.362 188 H ALA 21 H ALA 21 -0.722 15.634 -15.697 189 HA ALA 21 HA ALA 21 -3.657 15.662 -15.730 190 1HB ALA 21 1HB ALA 21 -2.117 17.426 -13.798 191 2HB ALA 21 2HB ALA 21 -2.999 15.974 -13.327 192 3HB ALA 21 3HB ALA 21 -3.869 17.359 -13.987 193 HA PRO 22 HA PRO 22 -2.585 18.630 -18.810 194 1HB PRO 22 2HB PRO 22 -5.092 19.606 -19.298 195 2HB PRO 22 1HB PRO 22 -4.549 18.014 -19.865 196 1HG PRO 22 2HG PRO 22 -6.270 18.711 -17.546 197 2HG PRO 22 1HG PRO 22 -6.362 17.328 -18.647 198 1HD PRO 22 2HD PRO 22 -5.310 17.217 -16.114 199 2HD PRO 22 1HD PRO 22 -4.880 16.099 -17.427 200 H THR 23 H THR 23 -3.822 19.378 -15.734 201 HA THR 23 HA THR 23 -2.642 22.011 -15.693 202 HB THR 23 HB THR 23 -4.594 22.423 -17.161 203 HG1 THR 23 HG1 THR 23 -5.337 24.168 -16.018 204 1HG2 THR 23 1HG2 THR 23 -6.519 21.339 -16.765 205 2HG2 THR 23 2HG2 THR 23 -6.712 22.252 -15.268 206 3HG2 THR 23 3HG2 THR 23 -5.866 20.703 -15.256 207 H ASN 24 H ASN 24 -4.487 23.140 -13.771 208 HA ASN 24 HA ASN 24 -3.946 21.312 -11.467 209 1HB ASN 24 2HB ASN 24 -2.961 23.652 -11.656 210 2HB ASN 24 1HB ASN 24 -4.605 24.270 -11.483 211 1HD2 ASN 24 1HD2 ASN 24 -5.392 24.488 -9.366 212 2HD2 ASN 24 2HD2 ASN 24 -4.638 23.839 -7.991 213 H GLU 25 H GLU 25 -6.005 20.130 -12.164 214 HA GLU 25 HA GLU 25 -8.340 21.360 -10.785 215 1HB GLU 25 2HB GLU 25 -8.209 21.776 -13.354 216 2HB GLU 25 1HB GLU 25 -8.617 20.066 -13.496 217 1HG GLU 25 2HG GLU 25 -10.772 20.429 -12.918 218 2HG GLU 25 1HG GLU 25 -10.314 21.468 -11.568 219 H PHE 26 H PHE 26 -9.468 19.812 -9.626 220 HA PHE 26 HA PHE 26 -8.659 16.955 -10.026 221 1HB PHE 26 2HB PHE 26 -8.462 18.545 -7.834 222 2HB PHE 26 1HB PHE 26 -10.065 17.858 -7.569 223 HD1 PHE 26 HD1 PHE 26 -10.126 15.199 -8.276 224 HD2 PHE 26 HD2 PHE 26 -6.719 17.384 -6.830 225 HE1 PHE 26 HE1 PHE 26 -9.092 13.078 -7.507 226 HE2 PHE 26 HE2 PHE 26 -5.685 15.263 -6.060 227 HZ PHE 26 HZ PHE 26 -6.872 13.110 -6.399 228 H TYR 27 H TYR 27 -10.221 15.703 -10.961 229 HA TYR 27 HA TYR 27 -13.095 16.429 -10.481 230 1HB TYR 27 2HB TYR 27 -12.186 16.956 -12.764 231 2HB TYR 27 1HB TYR 27 -11.830 15.241 -12.971 232 HD1 TYR 27 HD1 TYR 27 -14.334 17.796 -13.248 233 HD2 TYR 27 HD2 TYR 27 -13.782 13.570 -12.687 234 HE1 TYR 27 HE1 TYR 27 -16.677 17.395 -13.959 235 HE2 TYR 27 HE2 TYR 27 -16.125 13.170 -13.400 236 HH TYR 27 HH TYR 27 -18.270 14.466 -13.468 237 H ALA 28 HN ALA 28 -14.116 14.799 -9.389 238 HA ALA 28 HA ALA 28 -13.744 11.996 -10.152 239 1HB ALA 28 1HB ALA 28 -11.777 12.725 -8.656 240 2HB ALA 28 2HB ALA 28 -12.658 11.283 -8.152 241 3HB ALA 28 3HB ALA 28 -12.960 12.825 -7.351 242 1H ARG 1 1HT ARG 1 -23.109 4.238 -13.650 243 2H ARG 1 2HT ARG 1 -21.811 4.010 -12.576 244 3H ARG 1 3HT ARG 1 -23.374 4.296 -11.977 245 HA ARG 1 HA ARG 1 -22.856 1.951 -11.759 246 1HB ARG 1 2HB ARG 1 -25.131 2.947 -12.388 247 2HB ARG 1 1HB ARG 1 -24.782 2.443 -14.042 248 1HG ARG 1 2HG ARG 1 -24.683 0.137 -13.422 249 2HG ARG 1 1HG ARG 1 -24.657 0.530 -11.702 250 1HD ARG 1 2HD ARG 1 -26.990 1.524 -13.288 251 2HD ARG 1 1HD ARG 1 -26.929 -0.209 -12.908 252 HE ARG 1 HE ARG 1 -26.479 0.592 -10.486 253 1HH1 ARG 1 1HH2 ARG 1 -29.048 1.386 -12.456 254 2HH1 ARG 1 2HH2 ARG 1 -29.642 2.684 -11.475 255 1HH2 ARG 1 1HH1 ARG 1 -26.889 2.701 -9.366 256 2HH2 ARG 1 2HH1 ARG 1 -28.419 3.429 -9.726 257 H MET 2 H MET 2 -20.635 2.687 -13.344 258 HA MET 2 HA MET 2 -20.564 1.613 -15.977 259 1HB MET 2 2HB MET 2 -18.883 3.072 -14.744 260 2HB MET 2 1HB MET 2 -18.340 1.611 -13.917 261 1HG MET 2 2HG MET 2 -17.703 0.581 -16.006 262 2HG MET 2 1HG MET 2 -18.438 1.889 -16.932 263 1HE MET 2 1HE MET 2 -14.571 1.466 -17.075 264 2HE MET 2 2HE MET 2 -15.486 2.506 -18.163 265 3HE MET 2 3HE MET 2 -16.148 0.945 -17.685 266 H LYS 3 H LYS 3 -20.053 -0.480 -16.742 267 HA LYS 3 HA LYS 3 -20.234 -2.664 -14.698 268 1HB LYS 3 2HB LYS 3 -21.460 -2.089 -17.266 269 2HB LYS 3 1HB LYS 3 -20.660 -3.660 -17.300 270 1HG LYS 3 2HG LYS 3 -21.970 -3.500 -14.799 271 2HG LYS 3 1HG LYS 3 -23.126 -2.924 -16.000 272 1HD LYS 3 2HD LYS 3 -21.546 -5.492 -16.291 273 2HD LYS 3 1HD LYS 3 -23.181 -5.419 -15.636 274 1HE LYS 3 2HE LYS 3 -23.292 -3.932 -18.026 275 2HE LYS 3 1HE LYS 3 -22.349 -5.386 -18.412 276 1HZ LYS 3 1HZ LYS 3 -24.689 -5.885 -18.593 277 2HZ LYS 3 2HZ LYS 3 -24.975 -5.307 -17.021 278 3HZ LYS 3 3HZ LYS 3 -24.046 -6.711 -17.258 279 H LYS 4 H LYS 4 -18.941 -4.643 -15.246 280 HA LYS 4 HA LYS 4 -16.524 -4.075 -16.915 281 1HB LYS 4 2HB LYS 4 -16.777 -4.311 -14.024 282 2HB LYS 4 1HB LYS 4 -15.664 -5.519 -14.666 283 1HG LYS 4 2HG LYS 4 -14.659 -3.544 -16.028 284 2HG LYS 4 1HG LYS 4 -15.501 -2.518 -14.865 285 1HD LYS 4 2HD LYS 4 -14.373 -3.827 -13.023 286 2HD LYS 4 1HD LYS 4 -13.404 -4.620 -14.266 287 1HE LYS 4 2HE LYS 4 -12.883 -2.146 -15.033 288 2HE LYS 4 1HE LYS 4 -13.333 -1.756 -13.360 289 1HZ LYS 4 1HZ LYS 4 -11.536 -4.022 -13.947 290 2HZ LYS 4 2HZ LYS 4 -11.706 -3.141 -12.503 291 3HZ LYS 4 3HZ LYS 4 -10.915 -2.448 -13.837 292 H LYS 5 H LYS 5 -15.159 -6.414 -16.501 293 HA LYS 5 HA LYS 5 -16.988 -8.720 -16.713 294 1HB LYS 5 2HB LYS 5 -16.855 -7.422 -18.944 295 2HB LYS 5 1HB LYS 5 -15.197 -8.017 -19.045 296 1HG LYS 5 2HG LYS 5 -16.208 -9.778 -20.105 297 2HG LYS 5 1HG LYS 5 -16.465 -10.328 -18.449 298 1HD LYS 5 2HD LYS 5 -18.698 -9.470 -18.411 299 2HD LYS 5 1HD LYS 5 -18.451 -8.576 -19.912 300 1HE LYS 5 2HE LYS 5 -18.126 -10.756 -21.110 301 2HE LYS 5 1HE LYS 5 -18.539 -11.597 -19.602 302 1HZ LYS 5 1HZ LYS 5 -20.239 -9.556 -20.939 303 2HZ LYS 5 2HZ LYS 5 -20.627 -10.413 -19.525 304 3HZ LYS 5 3HZ LYS 5 -20.501 -11.230 -21.008 305 H ASP 6 H ASP 6 -15.666 -9.475 -14.914 306 HA ASP 6 HA ASP 6 -12.811 -10.074 -15.591 307 1HB ASP 6 2HB ASP 6 -12.615 -10.302 -13.112 308 2HB ASP 6 1HB ASP 6 -13.229 -8.719 -13.589 309 H GLU 7 H GLU 7 -13.808 -11.921 -16.941 310 HA GLU 7 HA GLU 7 -14.266 -14.295 -15.165 311 1HB GLU 7 2HB GLU 7 -16.111 -13.054 -16.804 312 2HB GLU 7 1HB GLU 7 -15.495 -14.343 -17.840 313 1HG GLU 7 2HG GLU 7 -15.908 -15.967 -15.979 314 2HG GLU 7 1HG GLU 7 -16.655 -14.662 -15.059 315 H GLY 8 H GLY 8 -11.819 -13.195 -16.597 316 1HA GLY 8 2HA GLY 8 -10.966 -15.748 -17.759 317 2HA GLY 8 1HA GLY 8 -11.033 -14.416 -18.915 318 H SER 9 H SER 9 -9.404 -15.647 -16.060 319 HA SER 9 HA SER 9 -7.639 -13.352 -15.733 320 1HB SER 9 2HB SER 9 -6.686 -14.705 -14.014 321 2HB SER 9 1HB SER 9 -8.396 -15.129 -14.035 322 HG SER 9 HG SER 9 -7.878 -17.067 -14.657 323 H TYR 10 H TYR 10 -5.495 -13.156 -16.473 324 HA TYR 10 HA TYR 10 -4.273 -15.352 -18.038 325 1HB TYR 10 2HB TYR 10 -5.540 -12.889 -19.122 326 2HB TYR 10 1HB TYR 10 -3.989 -13.339 -19.831 327 HD1 TYR 10 HD1 TYR 10 -3.833 -16.098 -20.097 328 HD2 TYR 10 HD2 TYR 10 -7.382 -13.682 -20.296 329 HE1 TYR 10 HE1 TYR 10 -4.956 -17.857 -21.439 330 HE2 TYR 10 HE2 TYR 10 -8.504 -15.441 -21.638 331 HH TYR 10 HH TYR 10 -8.016 -18.227 -21.790 332 H ASP 11 H ASP 11 -3.792 -11.806 -17.930 333 HA ASP 11 HA ASP 11 -1.443 -12.028 -16.194 334 1HB ASP 11 2HB ASP 11 -0.730 -12.909 -18.448 335 2HB ASP 11 1HB ASP 11 -1.086 -11.318 -19.123 336 H LEU 12 H LEU 12 -3.962 -10.436 -16.441 337 HA LEU 12 HA LEU 12 -2.733 -7.735 -16.293 338 1HB LEU 12 2HB LEU 12 -4.438 -6.873 -17.782 339 2HB LEU 12 1HB LEU 12 -3.702 -8.274 -18.564 340 HG LEU 12 HG LEU 12 -5.667 -9.514 -17.188 341 1HD1 LEU 12 1HD1 LEU 12 -7.082 -7.040 -18.128 342 2HD1 LEU 12 2HD1 LEU 12 -6.360 -7.058 -16.518 343 3HD1 LEU 12 3HD1 LEU 12 -7.598 -8.240 -16.942 344 1HD2 LEU 12 1HD2 LEU 12 -5.204 -9.699 -19.609 345 2HD2 LEU 12 2HD2 LEU 12 -5.981 -8.139 -19.876 346 3HD2 LEU 12 3HD2 LEU 12 -6.931 -9.512 -19.309 347 H GLY 13 H GLY 13 -3.778 -6.384 -14.764 348 1HA GLY 13 2HA GLY 13 -6.356 -7.186 -13.611 349 2HA GLY 13 1HA GLY 13 -4.986 -7.344 -12.512 350 H LYS 14 H LYS 14 -3.461 -5.157 -13.009 351 HA LYS 14 HA LYS 14 -5.183 -2.970 -12.008 352 1HB LYS 14 2HB LYS 14 -2.416 -3.862 -11.857 353 2HB LYS 14 1HB LYS 14 -2.512 -2.136 -12.215 354 1HG LYS 14 2HG LYS 14 -2.565 -2.218 -9.856 355 2HG LYS 14 1HG LYS 14 -4.262 -2.048 -10.306 356 1HD LYS 14 2HD LYS 14 -4.780 -4.044 -9.399 357 2HD LYS 14 1HD LYS 14 -3.471 -4.842 -10.271 358 1HE LYS 14 2HE LYS 14 -2.317 -5.003 -8.330 359 2HE LYS 14 1HE LYS 14 -2.288 -3.231 -8.221 360 1HZ LYS 14 1HZ LYS 14 -4.408 -3.223 -7.182 361 2HZ LYS 14 2HZ LYS 14 -3.463 -4.359 -6.343 362 3HZ LYS 14 3HZ LYS 14 -4.634 -4.881 -7.457 363 H LYS 15 H LYS 15 -5.280 -0.893 -13.042 364 HA LYS 15 HA LYS 15 -4.446 -0.900 -15.927 365 1HB LYS 15 2HB LYS 15 -6.863 0.257 -14.505 366 2HB LYS 15 1HB LYS 15 -6.491 0.554 -16.204 367 1HG LYS 15 2HG LYS 15 -6.632 -1.827 -16.699 368 2HG LYS 15 1HG LYS 15 -6.867 -2.199 -14.991 369 1HD LYS 15 2HD LYS 15 -9.075 -1.784 -15.134 370 2HD LYS 15 1HD LYS 15 -8.782 -0.209 -15.873 371 1HE LYS 15 2HE LYS 15 -8.585 -1.221 -18.082 372 2HE LYS 15 1HE LYS 15 -8.720 -2.847 -17.383 373 1HZ LYS 15 1HZ LYS 15 -10.895 -2.310 -18.000 374 2HZ LYS 15 2HZ LYS 15 -10.760 -0.704 -17.461 375 3HZ LYS 15 3HZ LYS 15 -10.855 -1.977 -16.338 376 HA PRO 16 HA PRO 16 -2.203 2.772 -14.996 377 1HB PRO 16 2HB PRO 16 -2.083 3.846 -17.509 378 2HB PRO 16 1HB PRO 16 -1.132 2.428 -17.021 379 1HG PRO 16 2HG PRO 16 -3.636 2.571 -18.615 380 2HG PRO 16 1HG PRO 16 -2.242 1.494 -18.792 381 1HD PRO 16 2HD PRO 16 -4.613 0.763 -17.624 382 2HD PRO 16 1HD PRO 16 -3.048 -0.005 -17.275 383 H ILE 17 H ILE 17 -3.233 4.438 -13.916 384 HA ILE 17 HA ILE 17 -5.479 5.833 -15.296 385 HB ILE 17 HB ILE 17 -4.886 5.813 -12.336 386 1HG1 ILE 17 2HG1 ILE 17 -6.990 4.011 -12.887 387 2HG1 ILE 17 1HG1 ILE 17 -5.692 3.589 -14.004 388 1HG2 ILE 17 1HG2 ILE 17 -6.511 7.466 -13.220 389 2HG2 ILE 17 2HG2 ILE 17 -7.295 6.275 -12.182 390 3HG2 ILE 17 3HG2 ILE 17 -7.442 6.151 -13.935 391 1HD1 ILE 17 1HD1 ILE 17 -5.621 3.674 -10.993 392 2HD1 ILE 17 2HD1 ILE 17 -4.136 3.768 -11.941 393 3HD1 ILE 17 3HD1 ILE 17 -5.176 2.348 -12.068 394 H TYR 18 H TYR 18 -3.155 6.795 -16.180 395 HA TYR 18 HA TYR 18 -1.838 8.748 -14.512 396 1HB TYR 18 2HB TYR 18 -1.657 7.613 -17.108 397 2HB TYR 18 1HB TYR 18 -1.763 9.358 -17.333 398 HD1 TYR 18 HD1 TYR 18 0.653 7.242 -17.601 399 HD2 TYR 18 HD2 TYR 18 -0.491 10.224 -14.724 400 HE1 TYR 18 HE1 TYR 18 3.022 7.481 -16.907 401 HE2 TYR 18 HE2 TYR 18 1.880 10.460 -14.030 402 HH TYR 18 HH TYR 18 4.373 8.292 -15.227 403 H LYS 19 H LYS 19 -3.373 10.198 -13.582 404 HA LYS 19 HA LYS 19 -4.297 12.362 -15.300 405 1HB LYS 19 2HB LYS 19 -5.873 10.057 -15.131 406 2HB LYS 19 1HB LYS 19 -6.648 11.199 -14.033 407 1HG LYS 19 2HG LYS 19 -5.956 12.716 -16.292 408 2HG LYS 19 1HG LYS 19 -6.601 11.204 -16.932 409 1HD LYS 19 2HD LYS 19 -8.587 11.462 -15.448 410 2HD LYS 19 1HD LYS 19 -7.955 13.021 -14.917 411 1HE LYS 19 2HE LYS 19 -7.851 13.474 -17.549 412 2HE LYS 19 1HE LYS 19 -9.154 12.268 -17.551 413 1HZ LYS 19 1HZ LYS 19 -10.043 14.490 -17.174 414 2HZ LYS 19 2HZ LYS 19 -9.031 14.686 -15.823 415 3HZ LYS 19 3HZ LYS 19 -10.266 13.518 -15.802 416 H LYS 20 H LYS 20 -2.919 11.708 -12.603 417 HA LYS 20 HA LYS 20 -4.545 13.618 -10.959 418 1HB LYS 20 2HB LYS 20 -4.795 11.375 -10.083 419 2HB LYS 20 1HB LYS 20 -3.056 11.095 -10.178 420 1HG LYS 20 2HG LYS 20 -2.612 12.344 -8.300 421 2HG LYS 20 1HG LYS 20 -3.956 13.448 -8.590 422 1HD LYS 20 2HD LYS 20 -5.544 11.926 -7.710 423 2HD LYS 20 1HD LYS 20 -4.421 10.569 -7.812 424 1HE LYS 20 2HE LYS 20 -2.978 12.119 -6.169 425 2HE LYS 20 1HE LYS 20 -4.593 12.729 -5.753 426 1HZ LYS 20 1HZ LYS 20 -5.353 10.565 -5.279 427 2HZ LYS 20 2HZ LYS 20 -3.846 10.688 -4.502 428 3HZ LYS 20 3HZ LYS 20 -3.984 9.836 -5.966 429 H ALA 21 H ALA 21 -3.294 15.090 -9.680 430 HA ALA 21 HA ALA 21 -0.362 14.956 -9.678 431 1HB ALA 21 1HB ALA 21 -1.807 17.143 -11.209 432 2HB ALA 21 2HB ALA 21 -1.002 15.768 -11.965 433 3HB ALA 21 3HB ALA 21 -0.060 16.949 -11.055 434 HA PRO 22 HA PRO 22 -1.261 17.316 -6.064 435 1HB PRO 22 2HB PRO 22 1.298 18.044 -5.431 436 2HB PRO 22 1HB PRO 22 0.672 16.403 -5.178 437 1HG PRO 22 2HG PRO 22 2.419 17.450 -7.342 438 2HG PRO 22 1HG PRO 22 2.441 15.876 -6.533 439 1HD PRO 22 2HD PRO 22 1.374 16.315 -9.022 440 2HD PRO 22 1HD PRO 22 0.890 14.986 -7.947 441 H THR 23 H THR 23 0.001 18.580 -8.955 442 HA THR 23 HA THR 23 -1.024 21.231 -8.466 443 HB THR 23 HB THR 23 0.953 21.236 -6.972 444 HG1 THR 23 HG1 THR 23 1.786 23.130 -7.757 445 1HG2 THR 23 1HG2 THR 23 2.815 20.151 -7.604 446 2HG2 THR 23 2HG2 THR 23 3.051 21.332 -8.892 447 3HG2 THR 23 3HG2 THR 23 2.122 19.865 -9.201 448 H ASN 24 H ASN 24 0.872 22.615 -10.156 449 HA ASN 24 HA ASN 24 0.225 21.306 -12.767 450 1HB ASN 24 2HB ASN 24 -0.621 23.618 -12.111 451 2HB ASN 24 1HB ASN 24 1.056 24.162 -12.184 452 1HD2 ASN 24 1HD2 ASN 24 1.843 24.749 -14.226 453 2HD2 ASN 24 2HD2 ASN 24 1.053 24.421 -15.691 454 H GLU 25 H GLU 25 2.220 19.899 -12.330 455 HA GLU 25 HA GLU 25 4.612 21.248 -13.483 456 1HB GLU 25 2HB GLU 25 4.513 21.157 -10.880 457 2HB GLU 25 1HB GLU 25 4.830 19.433 -11.082 458 1HG GLU 25 2HG GLU 25 6.999 19.791 -11.609 459 2HG GLU 25 1HG GLU 25 6.590 21.094 -12.725 460 H PHE 26 H PHE 26 5.652 19.900 -14.936 461 HA PHE 26 HA PHE 26 4.688 17.067 -15.092 462 1HB PHE 26 2HB PHE 26 4.576 19.064 -16.929 463 2HB PHE 26 1HB PHE 26 6.137 18.355 -17.343 464 HD1 PHE 26 HD1 PHE 26 6.050 15.612 -17.169 465 HD2 PHE 26 HD2 PHE 26 2.766 18.216 -18.114 466 HE1 PHE 26 HE1 PHE 26 4.897 13.740 -18.318 467 HE2 PHE 26 HE2 PHE 26 1.612 16.345 -19.264 468 HZ PHE 26 HZ PHE 26 2.677 14.106 -19.367 469 H TYR 27 H TYR 27 6.179 15.573 -14.443 470 HA TYR 27 HA TYR 27 9.087 16.227 -14.807 471 1HB TYR 27 2HB TYR 27 8.212 16.344 -12.454 472 2HB TYR 27 1HB TYR 27 7.765 14.642 -12.581 473 HD1 TYR 27 HD1 TYR 27 10.405 16.958 -11.844 474 HD2 TYR 27 HD2 TYR 27 9.621 12.962 -13.216 475 HE1 TYR 27 HE1 TYR 27 12.725 16.302 -11.258 476 HE2 TYR 27 HE2 TYR 27 11.942 12.306 -12.631 477 HH TYR 27 HH TYR 27 14.151 13.439 -12.337 478 H ALA 28 HN ALA 28 10.019 14.790 -16.205 479 HA ALA 28 HA ALA 28 9.494 11.916 -16.002 480 1HB ALA 28 1HB ALA 28 7.565 13.025 -17.298 481 2HB ALA 28 2HB ALA 28 8.367 11.668 -18.090 482 3HB ALA 28 3HB ALA 28 8.747 13.321 -18.574 Start of MODEL 15 1 1H ARG 1 1HT ARG 1 22.719 -18.621 -11.110 2 2H ARG 1 2HT ARG 1 21.224 -19.109 -11.753 3 3H ARG 1 3HT ARG 1 21.277 -18.124 -10.370 4 HA ARG 1 HA ARG 1 22.344 -16.351 -11.732 5 1HB ARG 1 2HB ARG 1 22.737 -18.542 -13.377 6 2HB ARG 1 1HB ARG 1 21.445 -17.669 -14.201 7 1HG ARG 1 2HG ARG 1 22.996 -15.575 -13.665 8 2HG ARG 1 1HG ARG 1 24.254 -16.811 -13.642 9 1HD ARG 1 2HD ARG 1 24.282 -16.776 -15.905 10 2HD ARG 1 1HD ARG 1 22.592 -17.321 -15.913 11 HE ARG 1 HE ARG 1 22.168 -14.741 -15.411 12 1HH1 ARG 1 1HH1 ARG 1 22.340 -15.837 -18.287 13 2HH1 ARG 1 2HH1 ARG 1 23.376 -14.654 -19.015 14 1HH2 ARG 1 1HH2 ARG 1 24.453 -13.347 -15.990 15 2HH2 ARG 1 2HH2 ARG 1 24.571 -13.245 -17.714 16 H MET 2 H MET 2 20.853 -15.099 -13.449 17 HA MET 2 HA MET 2 17.984 -15.645 -12.756 18 1HB MET 2 2HB MET 2 19.672 -13.152 -12.650 19 2HB MET 2 1HB MET 2 17.927 -13.025 -12.857 20 1HG MET 2 2HG MET 2 19.215 -14.630 -10.636 21 2HG MET 2 1HG MET 2 18.718 -12.948 -10.449 22 1HE MET 2 1HE MET 2 15.871 -13.858 -8.542 23 2HE MET 2 2HE MET 2 17.584 -13.449 -8.607 24 3HE MET 2 3HE MET 2 17.094 -15.128 -8.399 25 H LYS 3 H LYS 3 16.546 -15.421 -14.484 26 HA LYS 3 HA LYS 3 17.295 -14.006 -16.939 27 1HB LYS 3 2HB LYS 3 18.331 -16.488 -16.671 28 2HB LYS 3 1HB LYS 3 16.762 -16.905 -17.360 29 1HG LYS 3 2HG LYS 3 17.279 -15.031 -19.092 30 2HG LYS 3 1HG LYS 3 18.948 -15.208 -18.550 31 1HD LYS 3 2HD LYS 3 19.183 -17.262 -19.520 32 2HD LYS 3 1HD LYS 3 17.527 -17.739 -19.144 33 1HE LYS 3 2HE LYS 3 16.965 -17.300 -21.294 34 2HE LYS 3 1HE LYS 3 17.367 -15.594 -21.017 35 1HZ LYS 3 1HZ LYS 3 19.480 -17.610 -21.462 36 2HZ LYS 3 2HZ LYS 3 19.568 -15.923 -21.642 37 3HZ LYS 3 3HZ LYS 3 18.712 -16.857 -22.773 38 H LYS 4 H LYS 4 15.070 -13.880 -15.071 39 HA LYS 4 HA LYS 4 12.703 -13.849 -15.073 40 1HB LYS 4 2HB LYS 4 13.608 -13.600 -17.935 41 2HB LYS 4 1HB LYS 4 11.884 -13.629 -17.560 42 1HG LYS 4 2HG LYS 4 11.927 -11.525 -16.741 43 2HG LYS 4 1HG LYS 4 13.372 -11.849 -15.783 44 1HD LYS 4 2HD LYS 4 13.882 -10.133 -17.438 45 2HD LYS 4 1HD LYS 4 14.747 -11.612 -17.855 46 1HE LYS 4 2HE LYS 4 13.453 -12.001 -19.732 47 2HE LYS 4 1HE LYS 4 12.016 -11.239 -19.023 48 1HZ LYS 4 1HZ LYS 4 12.780 -9.661 -20.537 49 2HZ LYS 4 2HZ LYS 4 14.413 -9.941 -20.165 50 3HZ LYS 4 3HZ LYS 4 13.417 -9.120 -19.060 51 H LYS 5 H LYS 5 14.078 -16.515 -15.122 52 HA LYS 5 HA LYS 5 12.752 -18.342 -16.878 53 1HB LYS 5 2HB LYS 5 14.823 -18.663 -15.436 54 2HB LYS 5 1HB LYS 5 13.739 -18.841 -14.055 55 1HG LYS 5 2HG LYS 5 12.940 -20.490 -16.340 56 2HG LYS 5 1HG LYS 5 14.548 -20.891 -15.735 57 1HD LYS 5 2HD LYS 5 13.738 -21.358 -13.558 58 2HD LYS 5 1HD LYS 5 12.203 -20.545 -13.866 59 1HE LYS 5 2HE LYS 5 11.621 -22.300 -15.534 60 2HE LYS 5 1HE LYS 5 13.138 -23.138 -15.149 61 1HZ LYS 5 1HZ LYS 5 10.846 -22.589 -13.358 62 2HZ LYS 5 2HZ LYS 5 12.387 -22.960 -12.747 63 3HZ LYS 5 3HZ LYS 5 11.561 -24.084 -13.717 64 H ASP 6 H ASP 6 12.114 -17.813 -13.383 65 HA ASP 6 HA ASP 6 9.680 -19.252 -13.248 66 1HB ASP 6 2HB ASP 6 11.318 -17.628 -11.624 67 2HB ASP 6 1HB ASP 6 9.713 -16.900 -11.551 68 H GLU 7 H GLU 7 7.826 -18.848 -14.395 69 HA GLU 7 HA GLU 7 7.202 -16.007 -15.129 70 1HB GLU 7 2HB GLU 7 7.645 -17.634 -16.964 71 2HB GLU 7 1HB GLU 7 6.315 -18.632 -16.373 72 1HG GLU 7 2HG GLU 7 4.695 -17.121 -17.057 73 2HG GLU 7 1HG GLU 7 5.786 -15.739 -16.941 74 H GLY 8 H GLY 8 5.654 -15.197 -13.763 75 1HA GLY 8 2HA GLY 8 3.576 -17.066 -12.715 76 2HA GLY 8 1HA GLY 8 4.021 -15.535 -11.960 77 H SER 9 H SER 9 2.067 -17.043 -14.404 78 HA SER 9 HA SER 9 0.988 -14.360 -15.200 79 1HB SER 9 2HB SER 9 0.262 -15.581 -17.238 80 2HB SER 9 1HB SER 9 1.999 -15.721 -16.986 81 HG SER 9 HG SER 9 -0.040 -17.618 -16.640 82 H TYR 10 H TYR 10 -0.962 -13.911 -14.270 83 HA TYR 10 HA TYR 10 -3.062 -15.977 -14.133 84 1HB TYR 10 2HB TYR 10 -1.485 -14.943 -11.807 85 2HB TYR 10 1HB TYR 10 -3.206 -15.246 -11.566 86 HD1 TYR 10 HD1 TYR 10 0.032 -16.717 -11.627 87 HD2 TYR 10 HD2 TYR 10 -4.105 -17.552 -12.434 88 HE1 TYR 10 HE1 TYR 10 0.485 -19.149 -11.430 89 HE2 TYR 10 HE2 TYR 10 -3.653 -19.983 -12.237 90 HH TYR 10 HH TYR 10 -1.815 -21.414 -10.972 91 H ASP 11 H ASP 11 -2.129 -12.765 -12.858 92 HA ASP 11 HA ASP 11 -4.408 -11.495 -14.224 93 1HB ASP 11 2HB ASP 11 -4.443 -12.399 -11.435 94 2HB ASP 11 1HB ASP 11 -4.806 -10.680 -11.592 95 H LEU 12 H LEU 12 -1.928 -10.805 -14.823 96 HA LEU 12 HA LEU 12 -1.578 -8.157 -13.567 97 1HB LEU 12 2HB LEU 12 -0.240 -9.540 -12.137 98 2HB LEU 12 1HB LEU 12 0.421 -10.428 -13.512 99 HG LEU 12 HG LEU 12 1.641 -8.483 -14.267 100 1HD1 LEU 12 1HD1 LEU 12 1.523 -6.357 -12.925 101 2HD1 LEU 12 2HD1 LEU 12 0.170 -7.055 -12.034 102 3HD1 LEU 12 3HD1 LEU 12 0.022 -6.749 -13.765 103 1HD2 LEU 12 1HD2 LEU 12 2.039 -8.425 -11.282 104 2HD2 LEU 12 2HD2 LEU 12 3.253 -8.382 -12.561 105 3HD2 LEU 12 3HD2 LEU 12 2.410 -9.888 -12.194 106 H GLY 13 H GLY 13 -1.202 -6.743 -15.223 107 1HA GLY 13 2HA GLY 13 0.666 -7.347 -17.365 108 2HA GLY 13 1HA GLY 13 -1.009 -7.354 -17.922 109 H LYS 14 H LYS 14 -2.159 -5.316 -16.523 110 HA LYS 14 HA LYS 14 -0.896 -2.949 -17.752 111 1HB LYS 14 2HB LYS 14 -3.482 -3.520 -16.280 112 2HB LYS 14 1HB LYS 14 -3.059 -1.916 -16.877 113 1HG LYS 14 2HG LYS 14 -2.771 -2.917 -19.166 114 2HG LYS 14 1HG LYS 14 -3.397 -4.435 -18.525 115 1HD LYS 14 2HD LYS 14 -5.453 -3.647 -19.031 116 2HD LYS 14 1HD LYS 14 -5.252 -2.553 -17.661 117 1HE LYS 14 2HE LYS 14 -5.378 -0.829 -19.128 118 2HE LYS 14 1HE LYS 14 -3.828 -1.369 -19.803 119 1HZ LYS 14 1HZ LYS 14 -4.985 -2.915 -21.218 120 2HZ LYS 14 2HZ LYS 14 -5.617 -1.360 -21.474 121 3HZ LYS 14 3HZ LYS 14 -6.481 -2.488 -20.542 122 H LYS 15 H LYS 15 -0.892 -0.892 -16.333 123 HA LYS 15 HA LYS 15 -0.323 -1.429 -13.462 124 1HB LYS 15 2HB LYS 15 1.886 -0.347 -13.693 125 2HB LYS 15 1HB LYS 15 1.776 -1.756 -14.749 126 1HG LYS 15 2HG LYS 15 0.941 -0.053 -16.539 127 2HG LYS 15 1HG LYS 15 1.667 1.160 -15.484 128 1HD LYS 15 2HD LYS 15 3.373 -1.193 -15.992 129 2HD LYS 15 1HD LYS 15 3.038 -0.209 -17.417 130 1HE LYS 15 2HE LYS 15 3.581 1.755 -15.613 131 2HE LYS 15 1HE LYS 15 4.634 0.460 -15.008 132 1HZ LYS 15 1HZ LYS 15 5.298 0.103 -17.388 133 2HZ LYS 15 2HZ LYS 15 5.846 1.556 -16.698 134 3HZ LYS 15 3HZ LYS 15 4.519 1.564 -17.758 135 HA PRO 16 HA PRO 16 -2.154 2.540 -13.037 136 1HB PRO 16 2HB PRO 16 -1.010 3.379 -10.700 137 2HB PRO 16 1HB PRO 16 -2.253 2.113 -10.767 138 1HG PRO 16 2HG PRO 16 0.695 1.859 -10.474 139 2HG PRO 16 1HG PRO 16 -0.601 0.911 -9.729 140 1HD PRO 16 2HD PRO 16 0.883 0.063 -11.871 141 2HD PRO 16 1HD PRO 16 -0.764 -0.503 -11.514 142 H ILE 17 H ILE 17 -1.617 4.859 -13.107 143 HA ILE 17 HA ILE 17 1.200 5.639 -13.377 144 HB ILE 17 HB ILE 17 0.575 6.550 -15.723 145 1HG1 ILE 17 2HG1 ILE 17 -1.509 4.366 -15.477 146 2HG1 ILE 17 1HG1 ILE 17 -1.881 6.088 -15.380 147 1HG2 ILE 17 1HG2 ILE 17 2.004 4.469 -15.056 148 2HG2 ILE 17 2HG2 ILE 17 1.444 4.613 -16.723 149 3HG2 ILE 17 3HG2 ILE 17 0.604 3.544 -15.599 150 1HD1 ILE 17 1HD1 ILE 17 -0.347 5.942 -17.668 151 2HD1 ILE 17 2HD1 ILE 17 -2.110 5.985 -17.631 152 3HD1 ILE 17 3HD1 ILE 17 -1.268 4.439 -17.731 153 H TYR 18 H TYR 18 -0.524 6.562 -11.451 154 HA TYR 18 HA TYR 18 -2.082 8.871 -12.216 155 1HB TYR 18 2HB TYR 18 -1.515 7.292 -9.935 156 2HB TYR 18 1HB TYR 18 -1.078 8.946 -9.506 157 HD1 TYR 18 HD1 TYR 18 -3.013 10.438 -11.261 158 HD2 TYR 18 HD2 TYR 18 -3.554 6.999 -8.740 159 HE1 TYR 18 HE1 TYR 18 -5.414 11.005 -11.000 160 HE2 TYR 18 HE2 TYR 18 -5.954 7.567 -8.481 161 HH TYR 18 HH TYR 18 -7.601 8.915 -9.112 162 H LYS 19 H LYS 19 -1.203 10.847 -10.430 163 HA LYS 19 HA LYS 19 0.260 12.698 -10.340 164 1HB LYS 19 2HB LYS 19 1.700 10.252 -10.075 165 2HB LYS 19 1HB LYS 19 2.687 11.339 -11.053 166 1HG LYS 19 2HG LYS 19 1.389 12.203 -8.460 167 2HG LYS 19 1HG LYS 19 3.019 11.534 -8.535 168 1HD LYS 19 2HD LYS 19 3.221 13.390 -10.483 169 2HD LYS 19 1HD LYS 19 2.008 14.172 -9.467 170 1HE LYS 19 2HE LYS 19 3.623 13.601 -7.493 171 2HE LYS 19 1HE LYS 19 4.843 13.418 -8.768 172 1HZ LYS 19 1HZ LYS 19 3.071 15.779 -8.410 173 2HZ LYS 19 2HZ LYS 19 4.250 15.594 -9.619 174 3HZ LYS 19 3HZ LYS 19 4.713 15.718 -7.989 175 H LYS 20 H LYS 20 -0.552 13.731 -12.266 176 HA LYS 20 HA LYS 20 0.451 13.040 -14.916 177 1HB LYS 20 2HB LYS 20 -1.567 14.643 -13.687 178 2HB LYS 20 1HB LYS 20 -0.609 15.703 -14.720 179 1HG LYS 20 2HG LYS 20 -1.392 13.044 -15.828 180 2HG LYS 20 1HG LYS 20 -2.649 14.274 -15.693 181 1HD LYS 20 2HD LYS 20 -0.808 15.824 -16.790 182 2HD LYS 20 1HD LYS 20 -0.160 14.285 -17.361 183 1HE LYS 20 2HE LYS 20 -2.333 13.730 -18.389 184 2HE LYS 20 1HE LYS 20 -3.005 15.264 -17.802 185 1HZ LYS 20 1HZ LYS 20 -1.227 16.433 -18.981 186 2HZ LYS 20 2HZ LYS 20 -2.186 15.529 -20.053 187 3HZ LYS 20 3HZ LYS 20 -0.652 14.959 -19.594 188 H ALA 21 H ALA 21 1.209 15.359 -16.097 189 HA ALA 21 HA ALA 21 3.914 15.771 -15.125 190 1HB ALA 21 1HB ALA 21 2.466 16.057 -17.490 191 2HB ALA 21 2HB ALA 21 4.148 16.533 -17.250 192 3HB ALA 21 3HB ALA 21 2.857 17.717 -17.040 193 HA PRO 22 HA PRO 22 3.444 19.404 -12.709 194 1HB PRO 22 2HB PRO 22 5.329 21.129 -13.693 195 2HB PRO 22 1HB PRO 22 5.742 19.682 -12.752 196 1HG PRO 22 2HG PRO 22 5.832 20.115 -15.693 197 2HG PRO 22 1HG PRO 22 6.945 19.218 -14.649 198 1HD PRO 22 2HD PRO 22 5.049 18.030 -16.216 199 2HD PRO 22 1HD PRO 22 5.677 17.315 -14.715 200 H THR 23 H THR 23 1.275 19.644 -14.004 201 HA THR 23 HA THR 23 1.189 22.409 -15.084 202 HB THR 23 HB THR 23 -0.090 21.519 -17.075 203 HG1 THR 23 HG1 THR 23 0.355 19.230 -17.446 204 1HG2 THR 23 1HG2 THR 23 2.671 20.311 -16.887 205 2HG2 THR 23 2HG2 THR 23 2.414 22.050 -17.025 206 3HG2 THR 23 3HG2 THR 23 1.869 20.973 -18.311 207 H ASN 24 H ASN 24 -1.346 22.715 -15.765 208 HA ASN 24 HA ASN 24 -2.877 21.910 -13.333 209 1HB ASN 24 2HB ASN 24 -3.149 24.069 -15.442 210 2HB ASN 24 1HB ASN 24 -4.374 23.790 -14.203 211 1HD2 ASN 24 1HD2 ASN 24 -4.021 25.701 -12.953 212 2HD2 ASN 24 2HD2 ASN 24 -2.560 26.024 -12.153 213 H GLU 25 H GLU 25 -3.267 22.135 -16.888 214 HA GLU 25 HA GLU 25 -5.372 20.009 -16.689 215 1HB GLU 25 2HB GLU 25 -5.396 22.682 -17.737 216 2HB GLU 25 1HB GLU 25 -5.643 21.550 -19.065 217 1HG GLU 25 2HG GLU 25 -7.482 20.481 -17.867 218 2HG GLU 25 1HG GLU 25 -7.202 21.515 -16.465 219 H PHE 26 H PHE 26 -3.847 21.441 -19.523 220 HA PHE 26 HA PHE 26 -2.493 18.829 -20.088 221 1HB PHE 26 2HB PHE 26 -4.497 20.417 -21.652 222 2HB PHE 26 1HB PHE 26 -3.266 19.520 -22.541 223 HD1 PHE 26 HD1 PHE 26 -2.980 17.032 -22.062 224 HD2 PHE 26 HD2 PHE 26 -6.357 19.305 -20.686 225 HE1 PHE 26 HE1 PHE 26 -4.250 14.930 -21.708 226 HE2 PHE 26 HE2 PHE 26 -7.628 17.203 -20.332 227 HZ PHE 26 HZ PHE 26 -6.574 15.015 -20.842 228 H TYR 27 H TYR 27 -2.827 21.962 -21.792 229 HA TYR 27 HA TYR 27 0.106 22.410 -21.458 230 1HB TYR 27 2HB TYR 27 -1.372 21.615 -23.852 231 2HB TYR 27 1HB TYR 27 -0.457 23.101 -24.101 232 HD1 TYR 27 HD1 TYR 27 -0.222 19.528 -23.159 233 HD2 TYR 27 HD2 TYR 27 1.959 23.119 -24.064 234 HE1 TYR 27 HE1 TYR 27 1.877 18.213 -23.324 235 HE2 TYR 27 HE2 TYR 27 4.057 21.805 -24.227 236 HH TYR 27 HH TYR 27 4.426 18.998 -24.803 237 H ALA 28 HN ALA 28 0.683 24.682 -22.204 238 HA ALA 28 HA ALA 28 -1.316 26.586 -21.195 239 1HB ALA 28 1HB ALA 28 1.145 26.614 -20.684 240 2HB ALA 28 2HB ALA 28 0.558 28.138 -21.350 241 3HB ALA 28 3HB ALA 28 1.449 27.011 -22.375 242 1H ARG 1 1HT ARG 1 -28.571 -16.286 -20.730 243 2H ARG 1 2HT ARG 1 -27.111 -16.973 -20.200 244 3H ARG 1 3HT ARG 1 -27.098 -15.738 -21.367 245 HA ARG 1 HA ARG 1 -28.075 -14.205 -19.682 246 1HB ARG 1 2HB ARG 1 -28.595 -16.650 -18.490 247 2HB ARG 1 1HB ARG 1 -27.262 -16.022 -17.520 248 1HG ARG 1 2HG ARG 1 -28.698 -13.783 -17.632 249 2HG ARG 1 1HG ARG 1 -30.019 -14.924 -17.889 250 1HD ARG 1 2HD ARG 1 -30.060 -15.326 -15.661 251 2HD ARG 1 1HD ARG 1 -28.403 -15.955 -15.768 252 HE ARG 1 HE ARG 1 -27.832 -13.356 -15.760 253 1HH1 ARG 1 1HH1 ARG 1 -28.082 -14.977 -13.152 254 2HH1 ARG 1 2HH1 ARG 1 -29.057 -13.905 -12.203 255 1HH2 ARG 1 1HH2 ARG 1 -30.042 -11.977 -14.912 256 2HH2 ARG 1 2HH2 ARG 1 -30.165 -12.204 -13.199 257 H MET 2 H MET 2 -26.529 -13.396 -17.761 258 HA MET 2 HA MET 2 -23.690 -13.952 -18.561 259 1HB MET 2 2HB MET 2 -25.239 -11.398 -18.172 260 2HB MET 2 1HB MET 2 -23.488 -11.410 -17.952 261 1HG MET 2 2HG MET 2 -24.851 -12.477 -20.437 262 2HG MET 2 1HG MET 2 -24.260 -10.822 -20.296 263 1HE MET 2 1HE MET 2 -21.458 -11.499 -22.357 264 2HE MET 2 2HE MET 2 -23.145 -11.017 -22.207 265 3HE MET 2 3HE MET 2 -22.747 -12.648 -22.740 266 H LYS 3 H LYS 3 -22.249 -14.141 -16.830 267 HA LYS 3 HA LYS 3 -22.936 -13.198 -14.141 268 1HB LYS 3 2HB LYS 3 -24.105 -15.519 -14.884 269 2HB LYS 3 1HB LYS 3 -22.566 -16.149 -14.297 270 1HG LYS 3 2HG LYS 3 -22.990 -14.622 -12.231 271 2HG LYS 3 1HG LYS 3 -24.663 -14.601 -12.788 272 1HD LYS 3 2HD LYS 3 -25.015 -16.788 -12.235 273 2HD LYS 3 1HD LYS 3 -23.386 -17.272 -12.704 274 1HE LYS 3 2HE LYS 3 -22.813 -17.290 -10.513 275 2HE LYS 3 1HE LYS 3 -23.121 -15.544 -10.451 276 1HZ LYS 3 1HZ LYS 3 -25.342 -17.490 -10.394 277 2HZ LYS 3 2HZ LYS 3 -25.339 -15.868 -9.890 278 3HZ LYS 3 3HZ LYS 3 -24.543 -17.049 -8.966 279 H LYS 4 H LYS 4 -20.697 -12.835 -15.961 280 HA LYS 4 HA LYS 4 -18.333 -12.937 -15.963 281 1HB LYS 4 2HB LYS 4 -19.241 -13.197 -13.104 282 2HB LYS 4 1HB LYS 4 -17.519 -13.250 -13.484 283 1HG LYS 4 2HG LYS 4 -17.439 -11.027 -13.881 284 2HG LYS 4 1HG LYS 4 -18.894 -11.079 -14.876 285 1HD LYS 4 2HD LYS 4 -19.319 -9.692 -12.915 286 2HD LYS 4 1HD LYS 4 -20.266 -11.174 -12.790 287 1HE LYS 4 2HE LYS 4 -19.005 -11.992 -11.032 288 2HE LYS 4 1HE LYS 4 -17.525 -11.184 -11.586 289 1HZ LYS 4 1HZ LYS 4 -18.214 -9.892 -9.790 290 2HZ LYS 4 2HZ LYS 4 -19.857 -10.006 -10.204 291 3HZ LYS 4 3HZ LYS 4 -18.809 -9.041 -11.130 292 H LYS 5 H LYS 5 -19.852 -15.480 -16.427 293 HA LYS 5 HA LYS 5 -18.640 -17.684 -15.066 294 1HB LYS 5 2HB LYS 5 -20.714 -17.605 -16.535 295 2HB LYS 5 1HB LYS 5 -19.632 -17.570 -17.927 296 1HG LYS 5 2HG LYS 5 -18.939 -19.674 -16.013 297 2HG LYS 5 1HG LYS 5 -20.563 -19.862 -16.675 298 1HD LYS 5 2HD LYS 5 -19.769 -19.939 -18.906 299 2HD LYS 5 1HD LYS 5 -18.193 -19.286 -18.454 300 1HE LYS 5 2HE LYS 5 -17.719 -21.362 -17.163 301 2HE LYS 5 1HE LYS 5 -19.277 -22.025 -17.696 302 1HZ LYS 5 1HZ LYS 5 -16.947 -21.264 -19.357 303 2HZ LYS 5 2HZ LYS 5 -18.502 -21.426 -20.021 304 3HZ LYS 5 3HZ LYS 5 -17.744 -22.759 -19.291 305 H ASP 6 H ASP 6 -17.950 -16.519 -18.391 306 HA ASP 6 HA ASP 6 -15.598 -18.036 -18.815 307 1HB ASP 6 2HB ASP 6 -17.136 -16.044 -20.086 308 2HB ASP 6 1HB ASP 6 -15.494 -15.403 -20.027 309 H GLU 7 H GLU 7 -13.736 -17.964 -17.618 310 HA GLU 7 HA GLU 7 -12.958 -15.359 -16.353 311 1HB GLU 7 2HB GLU 7 -13.501 -17.288 -14.872 312 2HB GLU 7 1HB GLU 7 -12.226 -18.222 -15.654 313 1HG GLU 7 2HG GLU 7 -10.528 -16.970 -14.695 314 2HG GLU 7 1HG GLU 7 -11.538 -15.532 -14.534 315 H GLY 8 H GLY 8 -11.359 -14.384 -17.545 316 1HA GLY 8 2HA GLY 8 -9.384 -16.130 -18.946 317 2HA GLY 8 1HA GLY 8 -9.737 -14.458 -19.388 318 H SER 9 H SER 9 -7.889 -16.519 -17.290 319 HA SER 9 HA SER 9 -6.667 -14.107 -15.995 320 1HB SER 9 2HB SER 9 -6.021 -15.740 -14.237 321 2HB SER 9 1HB SER 9 -7.762 -15.734 -14.504 322 HG SER 9 HG SER 9 -5.825 -17.634 -15.222 323 H TYR 10 H TYR 10 -4.691 -13.593 -16.835 324 HA TYR 10 HA TYR 10 -2.708 -15.706 -17.379 325 1HB TYR 10 2HB TYR 10 -4.206 -14.153 -19.454 326 2HB TYR 10 1HB TYR 10 -2.502 -14.498 -19.755 327 HD1 TYR 10 HD1 TYR 10 -5.817 -15.770 -19.967 328 HD2 TYR 10 HD2 TYR 10 -1.737 -16.974 -19.357 329 HE1 TYR 10 HE1 TYR 10 -6.403 -18.089 -20.629 330 HE2 TYR 10 HE2 TYR 10 -2.322 -19.293 -20.020 331 HH TYR 10 HH TYR 10 -4.229 -20.348 -21.527 332 H ASP 11 H ASP 11 -3.447 -12.259 -18.009 333 HA ASP 11 HA ASP 11 -1.108 -11.418 -16.429 334 1HB ASP 11 2HB ASP 11 -1.110 -11.749 -19.340 335 2HB ASP 11 1HB ASP 11 -0.656 -10.117 -18.849 336 H LEU 12 H LEU 12 -3.565 -10.727 -15.703 337 HA LEU 12 HA LEU 12 -3.748 -7.862 -16.404 338 1HB LEU 12 2HB LEU 12 -5.156 -8.863 -18.065 339 2HB LEU 12 1HB LEU 12 -5.869 -9.964 -16.886 340 HG LEU 12 HG LEU 12 -6.988 -8.145 -15.759 341 1HD1 LEU 12 1HD1 LEU 12 -6.742 -5.804 -16.644 342 2HD1 LEU 12 2HD1 LEU 12 -5.427 -6.381 -17.670 343 3HD1 LEU 12 3HD1 LEU 12 -5.267 -6.442 -15.914 344 1HD2 LEU 12 1HD2 LEU 12 -7.356 -7.475 -18.673 345 2HD2 LEU 12 2HD2 LEU 12 -8.576 -7.615 -17.406 346 3HD2 LEU 12 3HD2 LEU 12 -7.817 -9.065 -18.065 347 H GLY 13 H GLY 13 -4.068 -6.769 -14.509 348 1HA GLY 13 2HA GLY 13 -5.975 -7.668 -12.513 349 2HA GLY 13 1HA GLY 13 -4.308 -7.878 -11.973 350 H LYS 14 H LYS 14 -3.033 -5.677 -12.952 351 HA LYS 14 HA LYS 14 -4.170 -3.529 -11.280 352 1HB LYS 14 2HB LYS 14 -1.613 -3.947 -12.851 353 2HB LYS 14 1HB LYS 14 -1.947 -2.466 -11.952 354 1HG LYS 14 2HG LYS 14 -2.306 -3.876 -9.899 355 2HG LYS 14 1HG LYS 14 -1.759 -5.275 -10.826 356 1HD LYS 14 2HD LYS 14 0.333 -4.712 -10.187 357 2HD LYS 14 1HD LYS 14 0.201 -3.363 -11.316 358 1HE LYS 14 2HE LYS 14 0.412 -1.968 -9.540 359 2HE LYS 14 1HE LYS 14 -1.170 -2.544 -8.978 360 1HZ LYS 14 1HZ LYS 14 -0.110 -4.397 -7.896 361 2HZ LYS 14 2HZ LYS 14 0.605 -2.958 -7.344 362 3HZ LYS 14 3HZ LYS 14 1.412 -3.930 -8.482 363 H LYS 15 H LYS 15 -4.051 -1.234 -12.271 364 HA LYS 15 HA LYS 15 -4.630 -1.170 -15.189 365 1HB LYS 15 2HB LYS 15 -6.779 -0.036 -14.744 366 2HB LYS 15 1HB LYS 15 -6.752 -1.627 -13.984 367 1HG LYS 15 2HG LYS 15 -5.840 -0.352 -11.899 368 2HG LYS 15 1HG LYS 15 -6.493 1.081 -12.696 369 1HD LYS 15 2HD LYS 15 -8.325 -1.233 -12.648 370 2HD LYS 15 1HD LYS 15 -7.946 -0.564 -11.060 371 1HE LYS 15 2HE LYS 15 -8.372 1.739 -12.446 372 2HE LYS 15 1HE LYS 15 -9.490 0.646 -13.286 373 1HZ LYS 15 1HZ LYS 15 -10.186 -0.129 -11.018 374 2HZ LYS 15 2HZ LYS 15 -10.651 1.459 -11.408 375 3HZ LYS 15 3HZ LYS 15 -9.331 1.186 -10.373 376 HA PRO 16 HA PRO 16 -2.582 2.701 -14.844 377 1HB PRO 16 2HB PRO 16 -3.671 4.040 -16.966 378 2HB PRO 16 1HB PRO 16 -2.498 2.721 -17.155 379 1HG PRO 16 2HG PRO 16 -5.451 2.686 -17.477 380 2HG PRO 16 1HG PRO 16 -4.204 1.831 -18.396 381 1HD PRO 16 2HD PRO 16 -5.747 0.668 -16.450 382 2HD PRO 16 1HD PRO 16 -4.133 0.090 -16.920 383 H ILE 17 H ILE 17 -2.993 4.992 -14.327 384 HA ILE 17 HA ILE 17 -5.760 5.860 -13.890 385 HB ILE 17 HB ILE 17 -5.106 6.255 -11.416 386 1HG1 ILE 17 2HG1 ILE 17 -3.138 4.054 -12.093 387 2HG1 ILE 17 1HG1 ILE 17 -2.677 5.739 -11.845 388 1HG2 ILE 17 1HG2 ILE 17 -6.640 4.428 -12.473 389 2HG2 ILE 17 2HG2 ILE 17 -6.086 4.208 -10.813 390 3HG2 ILE 17 3HG2 ILE 17 -5.297 3.338 -12.129 391 1HD1 ILE 17 1HD1 ILE 17 -4.233 5.224 -9.629 392 2HD1 ILE 17 2HD1 ILE 17 -2.469 5.174 -9.662 393 3HD1 ILE 17 3HD1 ILE 17 -3.398 3.689 -9.870 394 H TYR 18 H TYR 18 -3.998 7.044 -15.610 395 HA TYR 18 HA TYR 18 -2.312 9.068 -14.420 396 1HB TYR 18 2HB TYR 18 -2.948 7.991 -16.960 397 2HB TYR 18 1HB TYR 18 -3.290 9.719 -17.060 398 HD1 TYR 18 HD1 TYR 18 -1.287 10.732 -15.056 399 HD2 TYR 18 HD2 TYR 18 -0.923 7.821 -18.198 400 HE1 TYR 18 HE1 TYR 18 1.145 11.202 -15.213 401 HE2 TYR 18 HE2 TYR 18 1.508 8.292 -18.354 402 HH TYR 18 HH TYR 18 3.223 9.401 -17.482 403 H LYS 19 H LYS 19 -3.062 11.398 -15.780 404 HA LYS 19 HA LYS 19 -4.425 13.307 -15.507 405 1HB LYS 19 2HB LYS 19 -5.992 11.038 -16.232 406 2HB LYS 19 1HB LYS 19 -6.924 11.965 -15.056 407 1HG LYS 19 2HG LYS 19 -5.571 13.243 -17.442 408 2HG LYS 19 1HG LYS 19 -7.236 12.662 -17.485 409 1HD LYS 19 2HD LYS 19 -7.344 14.114 -15.215 410 2HD LYS 19 1HD LYS 19 -6.084 15.008 -16.066 411 1HE LYS 19 2HE LYS 19 -7.716 14.925 -18.105 412 2HE LYS 19 1HE LYS 19 -8.953 14.563 -16.885 413 1HZ LYS 19 1HZ LYS 19 -7.050 16.846 -16.781 414 2HZ LYS 19 2HZ LYS 19 -8.247 16.493 -15.627 415 3HZ LYS 19 3HZ LYS 19 -8.690 16.961 -17.199 416 H LYS 20 H LYS 20 -3.563 13.893 -13.414 417 HA LYS 20 HA LYS 20 -4.622 12.758 -10.949 418 1HB LYS 20 2HB LYS 20 -2.513 14.457 -11.848 419 2HB LYS 20 1HB LYS 20 -3.419 15.346 -10.623 420 1HG LYS 20 2HG LYS 20 -2.792 12.482 -10.061 421 2HG LYS 20 1HG LYS 20 -1.468 13.643 -9.958 422 1HD LYS 20 2HD LYS 20 -3.228 15.049 -8.570 423 2HD LYS 20 1HD LYS 20 -3.961 13.465 -8.307 424 1HE LYS 20 2HE LYS 20 -1.826 12.603 -7.421 425 2HE LYS 20 1HE LYS 20 -1.069 14.183 -7.701 426 1HZ LYS 20 1HZ LYS 20 -2.784 15.194 -6.304 427 2HZ LYS 20 2HZ LYS 20 -1.881 14.045 -5.437 428 3HZ LYS 20 3HZ LYS 20 -3.442 13.662 -5.988 429 H ALA 21 H ALA 21 -5.259 14.838 -9.335 430 HA ALA 21 HA ALA 21 -7.932 15.579 -10.192 431 1HB ALA 21 1HB ALA 21 -6.483 15.318 -7.825 432 2HB ALA 21 2HB ALA 21 -8.134 15.923 -7.957 433 3HB ALA 21 3HB ALA 21 -6.780 17.052 -7.940 434 HA PRO 22 HA PRO 22 -7.248 19.581 -11.856 435 1HB PRO 22 2HB PRO 22 -9.040 21.183 -10.548 436 2HB PRO 22 1HB PRO 22 -9.526 19.972 -11.751 437 1HG PRO 22 2HG PRO 22 -9.612 19.828 -8.781 438 2HG PRO 22 1HG PRO 22 -10.765 19.215 -9.976 439 1HD PRO 22 2HD PRO 22 -8.947 17.642 -8.678 440 2HD PRO 22 1HD PRO 22 -9.605 17.269 -10.287 441 H THR 23 H THR 23 -5.077 19.446 -10.552 442 HA THR 23 HA THR 23 -4.846 21.939 -8.957 443 HB THR 23 HB THR 23 -3.629 20.612 -7.181 444 HG1 THR 23 HG1 THR 23 -4.204 18.321 -7.259 445 1HG2 THR 23 1HG2 THR 23 -6.452 19.617 -7.588 446 2HG2 THR 23 2HG2 THR 23 -6.099 21.278 -7.115 447 3HG2 THR 23 3HG2 THR 23 -5.623 19.942 -6.066 448 H ASN 24 H ASN 24 -2.301 21.967 -8.243 449 HA ASN 24 HA ASN 24 -0.804 21.566 -10.792 450 1HB ASN 24 2HB ASN 24 -0.425 23.256 -8.305 451 2HB ASN 24 1HB ASN 24 0.790 23.155 -9.580 452 1HD2 ASN 24 1HD2 ASN 24 0.550 25.290 -10.432 453 2HD2 ASN 24 2HD2 ASN 24 -0.887 25.844 -11.145 454 H GLU 25 H GLU 25 -0.423 21.076 -7.263 455 HA GLU 25 HA GLU 25 1.564 18.915 -7.881 456 1HB GLU 25 2HB GLU 25 1.727 21.327 -6.332 457 2HB GLU 25 1HB GLU 25 1.904 19.945 -5.250 458 1HG GLU 25 2HG GLU 25 3.687 19.031 -6.643 459 2HG GLU 25 1HG GLU 25 3.472 20.331 -7.816 460 H PHE 26 H PHE 26 0.102 19.849 -4.816 461 HA PHE 26 HA PHE 26 -1.397 17.257 -4.762 462 1HB PHE 26 2HB PHE 26 0.682 18.396 -2.927 463 2HB PHE 26 1HB PHE 26 -0.604 17.413 -2.226 464 HD1 PHE 26 HD1 PHE 26 -1.021 15.084 -3.177 465 HD2 PHE 26 HD2 PHE 26 2.484 17.394 -4.101 466 HE1 PHE 26 HE1 PHE 26 0.135 13.025 -3.938 467 HE2 PHE 26 HE2 PHE 26 3.640 15.335 -4.862 468 HZ PHE 26 HZ PHE 26 2.465 13.151 -4.779 469 H TYR 27 H TYR 27 -0.900 19.973 -2.481 470 HA TYR 27 HA TYR 27 -3.801 20.640 -2.709 471 1HB TYR 27 2HB TYR 27 -2.383 19.314 -0.522 472 2HB TYR 27 1HB TYR 27 -3.217 20.773 0.015 473 HD1 TYR 27 HD1 TYR 27 -3.642 17.469 -1.601 474 HD2 TYR 27 HD2 TYR 27 -5.628 20.931 -0.008 475 HE1 TYR 27 HE1 TYR 27 -5.809 16.264 -1.688 476 HE2 TYR 27 HE2 TYR 27 -7.795 19.727 -0.093 477 HH TYR 27 HH TYR 27 -8.321 16.884 -0.074 478 H ALA 28 HN ALA 28 -4.258 22.752 -1.536 479 HA ALA 28 HA ALA 28 -2.152 24.704 -2.161 480 1HB ALA 28 1HB ALA 28 -4.605 24.965 -2.646 481 2HB ALA 28 2HB ALA 28 -3.942 26.295 -1.694 482 3HB ALA 28 3HB ALA 28 -4.897 25.038 -0.907
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