NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599422 | 2n8o | 25857 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 1.943 0.954 -1.724 3 HB2 MET 1 HB2 MET 1 3.840 0.401 -0.077 4 HB3 MET 1 HB3 MET 1 3.775 -1.224 -0.745 5 HG2 MET 1 HG2 MET 1 4.008 1.065 -2.622 6 HG3 MET 1 HG3 MET 1 5.424 0.593 -1.685 7 HE1 MET 1 HE1 MET 1 6.954 -1.947 -3.836 8 HE2 MET 1 HE2 MET 1 7.051 -0.274 -3.286 9 HE3 MET 1 HE3 MET 1 6.838 -1.577 -2.116 10 H SER 2 H SER 2 2.318 -2.506 -0.940 11 HA SER 2 HA SER 2 1.029 -3.122 -3.517 12 HB2 SER 2 HB2 SER 2 3.269 -4.473 -2.032 13 HB3 SER 2 HB3 SER 2 2.310 -5.357 -3.218 14 HG SER 2 HG SER 2 3.133 -4.171 -4.800 15 H TRP 3 H TRP 3 0.224 -5.547 -3.441 16 HA TRP 3 HA TRP 3 -1.569 -5.703 -1.121 17 HB2 TRP 3 HB2 TRP 3 -2.763 -5.586 -3.202 18 HB3 TRP 3 HB3 TRP 3 -1.777 -6.866 -3.902 19 HD1 TRP 3 HD1 TRP 3 -2.853 -9.185 -3.866 20 HE1 TRP 3 HE1 TRP 3 -4.747 -10.321 -2.544 21 HE3 TRP 3 HE3 TRP 3 -3.943 -5.406 -0.599 22 HZ2 TRP 3 HZ2 TRP 3 -6.474 -9.698 -0.400 23 HZ3 TRP 3 HZ3 TRP 3 -5.730 -5.757 1.056 24 HH2 TRP 3 HH2 TRP 3 -6.969 -7.858 1.151 25 H LEU 4 H LEU 4 0.317 -7.841 -3.261 26 HA LEU 4 HA LEU 4 0.070 -10.137 -1.644 27 HB2 LEU 4 HB2 LEU 4 2.218 -9.411 -3.631 28 HB3 LEU 4 HB3 LEU 4 1.952 -11.018 -2.959 29 HG LEU 4 HG LEU 4 -0.076 -9.546 -4.635 30 HD11 LEU 4 HD11 LEU 4 1.601 -11.821 -5.614 31 HD12 LEU 4 HD12 LEU 4 2.179 -10.159 -5.737 32 HD13 LEU 4 HD13 LEU 4 0.679 -10.633 -6.535 33 HD21 LEU 4 HD21 LEU 4 -0.692 -12.113 -4.905 34 HD22 LEU 4 HD22 LEU 4 -1.317 -11.133 -3.578 35 HD23 LEU 4 HD23 LEU 4 0.065 -12.199 -3.314 36 H ASN 5 H ASN 5 2.157 -7.377 -1.490 37 HA ASN 5 HA ASN 5 4.087 -8.631 0.255 38 HB2 ASN 5 HB2 ASN 5 3.714 -5.708 -0.441 39 HB3 ASN 5 HB3 ASN 5 5.110 -6.408 0.374 40 HD21 ASN 5 HD21 ASN 5 5.307 -4.924 -1.959 41 HD22 ASN 5 HD22 ASN 5 5.841 -5.959 -3.235 42 H PHE 6 H PHE 6 1.226 -6.649 0.554 43 HA PHE 6 HA PHE 6 1.605 -5.905 3.271 44 HB2 PHE 6 HB2 PHE 6 0.099 -4.658 1.801 45 HB3 PHE 6 HB3 PHE 6 -0.932 -6.075 1.631 46 HD1 PHE 6 HD2 PHE 6 -2.345 -6.813 3.470 47 HD2 PHE 6 HD1 PHE 6 0.057 -3.314 3.788 48 HE1 PHE 6 HE2 PHE 6 -3.643 -6.105 5.437 49 HE2 PHE 6 HE1 PHE 6 -1.236 -2.601 5.756 50 HZ PHE 6 HZ PHE 6 -3.090 -3.996 6.582 51 H LEU 7 H LEU 7 -0.575 -8.304 1.781 52 HA LEU 7 HA LEU 7 -1.583 -9.437 4.086 53 HB2 LEU 7 HB2 LEU 7 -0.925 -10.790 1.475 54 HB3 LEU 7 HB3 LEU 7 -1.944 -11.479 2.737 55 HG LEU 7 HG LEU 7 -2.539 -9.023 1.089 56 HD11 LEU 7 HD11 LEU 7 -3.285 -11.874 0.914 57 HD12 LEU 7 HD12 LEU 7 -3.132 -10.657 -0.353 58 HD13 LEU 7 HD13 LEU 7 -4.579 -10.704 0.655 59 HD21 LEU 7 HD21 LEU 7 -3.863 -10.219 3.488 60 HD22 LEU 7 HD22 LEU 7 -4.826 -9.388 2.266 61 HD23 LEU 7 HD23 LEU 7 -3.539 -8.526 3.112 62 H LYS 8 H LYS 8 1.372 -10.311 2.327 63 HA LYS 8 HA LYS 8 2.104 -12.457 4.013 64 HB2 LYS 8 HB2 LYS 8 3.426 -10.834 1.912 65 HB3 LYS 8 HB3 LYS 8 4.487 -11.672 3.036 66 HG2 LYS 8 HG2 LYS 8 4.052 -12.973 1.005 67 HG3 LYS 8 HG3 LYS 8 3.487 -13.793 2.462 68 HD2 LYS 8 HD2 LYS 8 1.285 -13.559 1.904 69 HD3 LYS 8 HD3 LYS 8 1.557 -12.055 1.021 70 HE2 LYS 8 HE2 LYS 8 2.440 -14.771 0.055 71 HE3 LYS 8 HE3 LYS 8 0.924 -14.003 -0.411 72 HZ1 LYS 8 HZ1 LYS 8 2.504 -12.059 -1.067 73 HZ2 LYS 8 HZ2 LYS 8 2.289 -13.370 -2.114 74 HZ3 LYS 8 HZ3 LYS 8 3.672 -13.281 -1.144 75 H TYR 9 H TYR 9 2.440 -9.021 4.288 76 HA TYR 9 HA TYR 9 4.500 -9.098 6.292 77 HB2 TYR 9 HB2 TYR 9 4.346 -7.145 4.883 78 HB3 TYR 9 HB3 TYR 9 2.672 -6.880 5.355 79 HD1 TYR 9 HD1 TYR 9 6.026 -7.241 6.975 80 HD2 TYR 9 HD2 TYR 9 2.272 -5.239 6.922 81 HE1 TYR 9 HE1 TYR 9 6.781 -5.789 8.811 82 HE2 TYR 9 HE2 TYR 9 3.018 -3.781 8.757 83 HH TYR 9 HH TYR 9 6.306 -4.005 10.062 84 H ILE 10 H ILE 10 1.028 -8.294 6.323 85 HA ILE 10 HA ILE 10 0.874 -8.117 9.156 86 HB ILE 10 HB ILE 10 -1.571 -8.135 8.835 87 HG12 ILE 10 HG12 ILE 10 -1.086 -8.299 5.871 88 HG13 ILE 10 HG13 ILE 10 -1.355 -9.754 6.825 89 HG21 ILE 10 HG21 ILE 10 0.085 -6.147 8.316 90 HG22 ILE 10 HG22 ILE 10 -0.557 -6.348 6.687 91 HG23 ILE 10 HG23 ILE 10 -1.648 -5.998 8.028 92 HD11 ILE 10 HD11 ILE 10 -3.343 -8.618 5.631 93 HD12 ILE 10 HD12 ILE 10 -3.545 -9.200 7.284 94 HD13 ILE 10 HD13 ILE 10 -3.284 -7.482 6.979 95 H ALA 11 H ALA 11 0.813 -10.738 6.937 96 HA ALA 11 HA ALA 11 -0.740 -12.641 8.193 97 HB1 ALA 11 HB1 ALA 11 1.802 -12.901 6.614 98 HB2 ALA 11 HB2 ALA 11 0.914 -14.304 7.210 99 HB3 ALA 11 HB3 ALA 11 0.143 -13.185 6.085 100 H LYS 12 H LYS 12 2.399 -11.422 9.098 101 HA LYS 12 HA LYS 12 3.238 -13.453 10.826 102 HB2 LYS 12 HB2 LYS 12 4.741 -11.845 11.771 103 HB3 LYS 12 HB3 LYS 12 4.618 -11.513 10.048 104 HG2 LYS 12 HG2 LYS 12 2.906 -9.755 10.634 105 HG3 LYS 12 HG3 LYS 12 3.377 -9.988 12.319 106 HD2 LYS 12 HD2 LYS 12 5.758 -9.539 11.564 107 HD3 LYS 12 HD3 LYS 12 5.066 -9.000 10.032 108 HE2 LYS 12 HE2 LYS 12 4.010 -7.175 11.009 109 HE3 LYS 12 HE3 LYS 12 4.078 -7.877 12.625 110 HZ1 LYS 12 HZ1 LYS 12 6.504 -7.570 12.571 111 HZ2 LYS 12 HZ2 LYS 12 5.665 -6.107 12.455 112 HZ3 LYS 12 HZ3 LYS 12 6.366 -6.790 11.076 113 H TYR 13 H TYR 13 0.967 -10.826 11.285 114 HA TYR 13 HA TYR 13 0.778 -10.988 14.102 115 HB2 TYR 13 HB2 TYR 13 -1.250 -10.014 12.079 116 HB3 TYR 13 HB3 TYR 13 -1.342 -9.742 13.816 117 HD1 TYR 13 HD2 TYR 13 0.965 -8.703 14.797 118 HD2 TYR 13 HD1 TYR 13 -0.475 -8.254 10.819 119 HE1 TYR 13 HE2 TYR 13 2.302 -6.654 14.551 120 HE2 TYR 13 HE1 TYR 13 0.859 -6.203 10.561 121 HH TYR 13 HH TYR 13 2.002 -4.447 12.902 122 H GLY 14 H GLY 14 -0.557 -12.881 11.531 123 HA2 GLY 14 HA2 GLY 14 -1.202 -15.164 12.489 124 HA3 GLY 14 HA3 GLY 14 -2.361 -14.236 13.430 125 H LYS 15 H LYS 15 -3.811 -15.831 12.301 126 HA LYS 15 HA LYS 15 -4.407 -15.108 9.533 127 HB2 LYS 15 HB2 LYS 15 -5.339 -17.355 11.315 128 HB3 LYS 15 HB3 LYS 15 -6.051 -17.042 9.738 129 HG2 LYS 15 HG2 LYS 15 -3.818 -17.333 8.717 130 HG3 LYS 15 HG3 LYS 15 -3.183 -17.759 10.308 131 HD2 LYS 15 HD2 LYS 15 -4.747 -19.647 10.415 132 HD3 LYS 15 HD3 LYS 15 -5.362 -19.223 8.816 133 HE2 LYS 15 HE2 LYS 15 -3.442 -19.915 7.749 134 HE3 LYS 15 HE3 LYS 15 -2.436 -19.678 9.178 135 HZ1 LYS 15 HZ1 LYS 15 -4.494 -21.803 8.980 136 HZ2 LYS 15 HZ2 LYS 15 -3.282 -21.645 10.149 137 HZ3 LYS 15 HZ3 LYS 15 -2.874 -22.044 8.557 138 H LYS 16 H LYS 16 -4.995 -13.386 11.905 139 HA LYS 16 HA LYS 16 -7.927 -13.294 11.764 140 HB2 LYS 16 HB2 LYS 16 -5.936 -12.187 13.732 141 HB3 LYS 16 HB3 LYS 16 -7.597 -11.611 13.685 142 HG2 LYS 16 HG2 LYS 16 -8.436 -13.792 14.206 143 HG3 LYS 16 HG3 LYS 16 -6.822 -14.494 14.063 144 HD2 LYS 16 HD2 LYS 16 -7.236 -12.267 15.996 145 HD3 LYS 16 HD3 LYS 16 -7.851 -13.868 16.414 146 HE2 LYS 16 HE2 LYS 16 -5.013 -13.302 15.568 147 HE3 LYS 16 HE3 LYS 16 -5.546 -13.405 17.245 148 HZ1 LYS 16 HZ1 LYS 16 -4.599 -15.476 15.897 149 HZ2 LYS 16 HZ2 LYS 16 -6.240 -15.649 15.530 150 HZ3 LYS 16 HZ3 LYS 16 -5.731 -15.636 17.143 151 H ALA 17 H ALA 17 -5.018 -11.390 11.225 152 HA ALA 17 HA ALA 17 -6.483 -9.028 10.457 153 HB1 ALA 17 HB1 ALA 17 -4.357 -8.713 11.512 154 HB2 ALA 17 HB2 ALA 17 -3.554 -9.717 10.304 155 HB3 ALA 17 HB3 ALA 17 -4.233 -8.156 9.843 156 H VAL 18 H VAL 18 -5.188 -11.836 8.899 157 HA VAL 18 HA VAL 18 -4.993 -10.807 6.266 158 HB VAL 18 HB VAL 18 -3.892 -12.899 6.960 159 HG11 VAL 18 HG11 VAL 18 -6.650 -14.116 6.913 160 HG12 VAL 18 HG12 VAL 18 -5.129 -14.940 7.262 161 HG13 VAL 18 HG13 VAL 18 -5.752 -13.725 8.380 162 HG21 VAL 18 HG21 VAL 18 -5.814 -12.995 4.653 163 HG22 VAL 18 HG22 VAL 18 -4.088 -12.634 4.631 164 HG23 VAL 18 HG23 VAL 18 -4.641 -14.277 4.953 165 H SER 19 H SER 19 -7.622 -12.174 8.136 166 HA SER 19 HA SER 19 -9.410 -12.583 5.971 167 HB2 SER 19 HB2 SER 19 -9.612 -13.632 8.250 168 HB3 SER 19 HB3 SER 19 -10.143 -12.065 8.860 169 HG SER 19 HG SER 19 -11.937 -12.181 7.540 170 H ALA 20 H ALA 20 -9.210 -9.999 8.417 171 HA ALA 20 HA ALA 20 -11.267 -8.389 7.530 172 HB1 ALA 20 HB1 ALA 20 -9.763 -6.483 8.442 173 HB2 ALA 20 HB2 ALA 20 -10.340 -7.734 9.545 174 HB3 ALA 20 HB3 ALA 20 -8.690 -7.797 8.926 175 H ALA 21 H ALA 21 -7.954 -8.600 6.334 176 HA ALA 21 HA ALA 21 -7.991 -6.375 4.630 177 HB1 ALA 21 HB1 ALA 21 -6.449 -8.630 3.611 178 HB2 ALA 21 HB2 ALA 21 -5.918 -7.021 4.105 179 HB3 ALA 21 HB3 ALA 21 -6.145 -8.285 5.314 180 H TRP 22 H TRP 22 -9.094 -9.685 4.165 181 HA TRP 22 HA TRP 22 -9.596 -9.398 1.366 182 HB2 TRP 22 HB2 TRP 22 -10.245 -11.455 3.444 183 HB3 TRP 22 HB3 TRP 22 -11.071 -11.511 1.889 184 HD1 TRP 22 HD1 TRP 22 -8.008 -12.698 3.549 185 HE1 TRP 22 HE1 TRP 22 -6.339 -13.630 1.826 186 HE3 TRP 22 HE3 TRP 22 -10.165 -10.903 -0.724 187 HZ2 TRP 22 HZ2 TRP 22 -5.983 -13.607 -0.974 188 HZ3 TRP 22 HZ3 TRP 22 -9.097 -11.403 -2.884 189 HH2 TRP 22 HH2 TRP 22 -7.049 -12.727 -3.004 190 H LYS 23 H LYS 23 -11.664 -9.397 4.259 191 HA LYS 23 HA LYS 23 -14.109 -9.014 2.950 192 HB2 LYS 23 HB2 LYS 23 -13.534 -9.539 5.459 193 HB3 LYS 23 HB3 LYS 23 -13.591 -7.790 5.634 194 HG2 LYS 23 HG2 LYS 23 -15.894 -7.971 4.492 195 HG3 LYS 23 HG3 LYS 23 -15.791 -9.683 4.910 196 HD2 LYS 23 HD2 LYS 23 -15.164 -8.706 7.283 197 HD3 LYS 23 HD3 LYS 23 -16.046 -7.301 6.679 198 HE2 LYS 23 HE2 LYS 23 -17.212 -10.058 6.504 199 HE3 LYS 23 HE3 LYS 23 -17.340 -9.110 7.985 200 HZ1 LYS 23 HZ1 LYS 23 -18.968 -8.967 5.753 201 HZ2 LYS 23 HZ2 LYS 23 -18.070 -7.534 5.755 202 HZ3 LYS 23 HZ3 LYS 23 -18.995 -7.954 7.108 203 H TYR 24 H TYR 24 -11.679 -6.714 4.053 204 HA TYR 24 HA TYR 24 -13.252 -4.542 2.835 205 HB2 TYR 24 HB2 TYR 24 -11.015 -4.242 4.842 206 HB3 TYR 24 HB3 TYR 24 -12.136 -2.999 4.298 207 HD1 TYR 24 HD1 TYR 24 -14.710 -4.450 4.457 208 HD2 TYR 24 HD2 TYR 24 -11.407 -4.394 7.138 209 HE1 TYR 24 HE1 TYR 24 -16.221 -4.992 6.320 210 HE2 TYR 24 HE2 TYR 24 -12.909 -4.937 9.009 211 HH TYR 24 HH TYR 24 -15.401 -6.227 9.054 212 H LYS 25 H LYS 25 -11.596 -6.363 1.343 213 HA LYS 25 HA LYS 25 -9.047 -5.490 0.746 214 HB2 LYS 25 HB2 LYS 25 -10.055 -7.540 -0.174 215 HB3 LYS 25 HB3 LYS 25 -11.107 -6.564 -1.191 216 HG2 LYS 25 HG2 LYS 25 -9.314 -5.824 -2.519 217 HG3 LYS 25 HG3 LYS 25 -8.115 -6.390 -1.353 218 HD2 LYS 25 HD2 LYS 25 -8.188 -7.903 -3.237 219 HD3 LYS 25 HD3 LYS 25 -8.825 -8.715 -1.804 220 HE2 LYS 25 HE2 LYS 25 -10.231 -9.225 -3.689 221 HE3 LYS 25 HE3 LYS 25 -11.116 -8.182 -2.578 222 HZ1 LYS 25 HZ1 LYS 25 -10.934 -6.379 -3.997 223 HZ2 LYS 25 HZ2 LYS 25 -11.201 -7.661 -5.068 224 HZ3 LYS 25 HZ3 LYS 25 -9.640 -7.041 -4.863 225 H GLY 26 H GLY 26 -12.121 -4.374 -0.652 226 HA2 GLY 26 HA2 GLY 26 -11.081 -2.569 -2.508 227 HA3 GLY 26 HA3 GLY 26 -12.662 -2.435 -1.753 228 H LYS 27 H LYS 27 -11.207 -2.352 0.928 229 HA LYS 27 HA LYS 27 -10.809 0.539 0.907 230 HB2 LYS 27 HB2 LYS 27 -11.206 -1.475 3.114 231 HB3 LYS 27 HB3 LYS 27 -10.755 0.194 3.437 232 HG2 LYS 27 HG2 LYS 27 -12.790 0.982 2.393 233 HG3 LYS 27 HG3 LYS 27 -13.231 -0.671 1.956 234 HD2 LYS 27 HD2 LYS 27 -13.526 -1.282 4.234 235 HD3 LYS 27 HD3 LYS 27 -12.785 0.216 4.800 236 HE2 LYS 27 HE2 LYS 27 -15.368 0.035 3.252 237 HE3 LYS 27 HE3 LYS 27 -15.249 0.217 5.002 238 HZ1 LYS 27 HZ1 LYS 27 -15.141 2.209 3.016 239 HZ2 LYS 27 HZ2 LYS 27 -13.676 2.203 3.860 240 HZ3 LYS 27 HZ3 LYS 27 -15.133 2.393 4.698 241 H VAL 28 H VAL 28 -9.081 -2.442 1.615 242 HA VAL 28 HA VAL 28 -6.764 -1.242 2.719 243 HB VAL 28 HB VAL 28 -6.891 -3.887 1.272 244 HG11 VAL 28 HG11 VAL 28 -4.925 -4.451 2.337 245 HG12 VAL 28 HG12 VAL 28 -4.673 -2.733 2.018 246 HG13 VAL 28 HG13 VAL 28 -5.161 -3.271 3.626 247 HG21 VAL 28 HG21 VAL 28 -8.020 -3.039 3.853 248 HG22 VAL 28 HG22 VAL 28 -8.462 -4.390 2.808 249 HG23 VAL 28 HG23 VAL 28 -7.079 -4.531 3.893 250 H LEU 29 H LEU 29 -7.462 -2.486 -0.544 251 HA LEU 29 HA LEU 29 -5.032 -1.917 -1.743 252 HB2 LEU 29 HB2 LEU 29 -7.822 -2.214 -2.694 253 HB3 LEU 29 HB3 LEU 29 -6.670 -1.473 -3.803 254 HG LEU 29 HG LEU 29 -6.900 -3.853 -4.241 255 HD11 LEU 29 HD11 LEU 29 -4.216 -3.426 -2.963 256 HD12 LEU 29 HD12 LEU 29 -4.689 -2.618 -4.457 257 HD13 LEU 29 HD13 LEU 29 -4.617 -4.379 -4.392 258 HD21 LEU 29 HD21 LEU 29 -6.256 -5.524 -2.628 259 HD22 LEU 29 HD22 LEU 29 -7.527 -4.514 -1.940 260 HD23 LEU 29 HD23 LEU 29 -5.850 -4.280 -1.446 261 H GLU 30 H GLU 30 -7.608 0.228 -0.832 262 HA GLU 30 HA GLU 30 -6.713 2.435 -2.437 263 HB2 GLU 30 HB2 GLU 30 -8.783 2.040 -0.318 264 HB3 GLU 30 HB3 GLU 30 -8.278 3.676 -0.715 265 HG2 GLU 30 HG2 GLU 30 -8.968 3.412 -2.986 266 HG3 GLU 30 HG3 GLU 30 -9.286 1.695 -2.740 267 H TRP 31 H TRP 31 -6.272 1.355 0.880 268 HA TRP 31 HA TRP 31 -4.925 3.733 1.734 269 HB2 TRP 31 HB2 TRP 31 -5.109 0.974 2.958 270 HB3 TRP 31 HB3 TRP 31 -4.331 2.349 3.737 271 HD1 TRP 31 HD1 TRP 31 -6.524 4.566 3.056 272 HE1 TRP 31 HE1 TRP 31 -8.796 4.498 4.264 273 HE3 TRP 31 HE3 TRP 31 -6.534 -0.341 4.489 274 HZ2 TRP 31 HZ2 TRP 31 -10.382 2.614 5.643 275 HZ3 TRP 31 HZ3 TRP 31 -8.466 -1.197 5.750 276 HH2 TRP 31 HH2 TRP 31 -10.348 0.251 6.315 277 H LEU 32 H LEU 32 -3.999 0.819 0.134 278 HA LEU 32 HA LEU 32 -1.195 1.049 0.781 279 HB2 LEU 32 HB2 LEU 32 -2.533 -0.658 -1.311 280 HB3 LEU 32 HB3 LEU 32 -0.890 -0.839 -0.698 281 HG LEU 32 HG LEU 32 -3.131 -1.047 1.245 282 HD11 LEU 32 HD11 LEU 32 -2.726 -2.843 -1.053 283 HD12 LEU 32 HD12 LEU 32 -4.159 -2.563 -0.065 284 HD13 LEU 32 HD13 LEU 32 -2.880 -3.628 0.519 285 HD21 LEU 32 HD21 LEU 32 -1.228 -3.093 1.505 286 HD22 LEU 32 HD22 LEU 32 -1.407 -1.650 2.505 287 HD23 LEU 32 HD23 LEU 32 -0.326 -1.630 1.110 288 H ASN 33 H ASN 33 -3.345 2.225 -1.642 289 HA ASN 33 HA ASN 33 -1.180 2.888 -3.478 290 HB2 ASN 33 HB2 ASN 33 -3.168 2.094 -4.546 291 HB3 ASN 33 HB3 ASN 33 -4.178 3.217 -3.639 292 HD21 ASN 33 HD21 ASN 33 -4.852 4.876 -4.768 293 HD22 ASN 33 HD22 ASN 33 -4.022 5.623 -6.086 294 H VAL 34 H VAL 34 -3.167 4.356 -1.050 295 HA VAL 34 HA VAL 34 -2.291 7.044 -1.822 296 HB VAL 34 HB VAL 34 -3.906 7.896 -0.244 297 HG11 VAL 34 HG11 VAL 34 -5.472 7.662 -1.799 298 HG12 VAL 34 HG12 VAL 34 -4.545 6.336 -2.504 299 HG13 VAL 34 HG13 VAL 34 -5.775 6.003 -1.284 300 HG21 VAL 34 HG21 VAL 34 -3.840 5.127 0.750 301 HG22 VAL 34 HG22 VAL 34 -4.123 6.638 1.615 302 HG23 VAL 34 HG23 VAL 34 -5.435 5.880 0.713 303 H GLY 35 H GLY 35 -1.896 4.613 0.655 304 HA2 GLY 35 HA2 GLY 35 -0.563 6.360 2.513 305 HA3 GLY 35 HA3 GLY 35 -0.683 4.610 2.626 306 HA PRO 36 HA PRO 36 3.614 6.105 1.220 307 HB2 PRO 36 HB2 PRO 36 4.950 5.708 3.549 308 HB3 PRO 36 HB3 PRO 36 4.189 7.247 3.129 309 HG2 PRO 36 HG2 PRO 36 3.180 5.055 4.901 310 HG3 PRO 36 HG3 PRO 36 3.130 6.810 5.153 311 HD2 PRO 36 HD2 PRO 36 0.986 5.402 4.286 312 HD3 PRO 36 HD3 PRO 36 1.289 7.080 3.793 313 H THR 37 H THR 37 2.932 3.583 3.651 314 HA THR 37 HA THR 37 3.950 1.551 1.845 315 HB THR 37 HB THR 37 5.460 0.590 3.595 316 HG1 THR 37 HG1 THR 37 4.889 3.087 4.835 317 HG21 THR 37 HG21 THR 37 6.224 3.376 2.714 318 HG22 THR 37 HG22 THR 37 6.306 1.942 1.691 319 HG23 THR 37 HG23 THR 37 7.321 2.060 3.128 320 H LEU 38 H LEU 38 3.987 -0.643 3.276 321 HA LEU 38 HA LEU 38 1.280 -1.166 3.868 322 HB2 LEU 38 HB2 LEU 38 3.602 -2.843 4.775 323 HB3 LEU 38 HB3 LEU 38 1.961 -3.367 4.403 324 HG LEU 38 HG LEU 38 3.978 -2.378 2.388 325 HD11 LEU 38 HD11 LEU 38 4.838 -4.428 2.703 326 HD12 LEU 38 HD12 LEU 38 3.453 -4.953 1.746 327 HD13 LEU 38 HD13 LEU 38 3.387 -5.029 3.507 328 HD21 LEU 38 HD21 LEU 38 1.850 -3.867 1.250 329 HD22 LEU 38 HD22 LEU 38 2.277 -2.176 0.982 330 HD23 LEU 38 HD23 LEU 38 1.150 -2.609 2.269 331 H GLU 39 H GLU 39 4.083 -0.515 5.908 332 HA GLU 39 HA GLU 39 3.081 -1.170 8.394 333 HB2 GLU 39 HB2 GLU 39 5.386 -0.480 8.077 334 HB3 GLU 39 HB3 GLU 39 4.872 1.142 7.636 335 HG2 GLU 39 HG2 GLU 39 3.977 1.463 9.893 336 HG3 GLU 39 HG3 GLU 39 4.528 -0.153 10.331 337 H TRP 40 H TRP 40 2.319 1.556 6.363 338 HA TRP 40 HA TRP 40 0.949 3.018 8.433 339 HB2 TRP 40 HB2 TRP 40 2.063 4.117 6.480 340 HB3 TRP 40 HB3 TRP 40 0.822 3.427 5.439 341 HD1 TRP 40 HD1 TRP 40 1.180 5.953 8.338 342 HE1 TRP 40 HE1 TRP 40 -0.765 7.631 8.183 343 HE3 TRP 40 HE3 TRP 40 -1.435 3.811 4.503 344 HZ2 TRP 40 HZ2 TRP 40 -3.100 7.998 6.640 345 HZ3 TRP 40 HZ3 TRP 40 -3.515 4.888 3.748 346 HH2 TRP 40 HH2 TRP 40 -4.328 6.938 4.796 347 H VAL 41 H VAL 41 -0.085 1.319 5.471 348 HA VAL 41 HA VAL 41 -2.816 1.575 5.748 349 HB VAL 41 HB VAL 41 -1.408 -0.894 4.728 350 HG11 VAL 41 HG11 VAL 41 -3.532 -0.732 3.178 351 HG12 VAL 41 HG12 VAL 41 -3.614 -1.509 4.760 352 HG13 VAL 41 HG13 VAL 41 -4.192 0.145 4.558 353 HG21 VAL 41 HG21 VAL 41 -1.541 1.826 3.687 354 HG22 VAL 41 HG22 VAL 41 -0.487 0.488 3.229 355 HG23 VAL 41 HG23 VAL 41 -2.106 0.611 2.539 356 H TRP 42 H TRP 42 -0.691 -0.885 7.161 357 HA TRP 42 HA TRP 42 -2.612 -2.532 8.300 358 HB2 TRP 42 HB2 TRP 42 -0.335 -3.247 8.297 359 HB3 TRP 42 HB3 TRP 42 0.180 -1.830 9.210 360 HD1 TRP 42 HD1 TRP 42 0.892 -2.606 11.536 361 HE1 TRP 42 HE1 TRP 42 -0.035 -4.222 13.311 362 HE3 TRP 42 HE3 TRP 42 -3.116 -4.443 8.947 363 HZ2 TRP 42 HZ2 TRP 42 -2.181 -6.036 13.579 364 HZ3 TRP 42 HZ3 TRP 42 -4.555 -6.116 10.034 365 HH2 TRP 42 HH2 TRP 42 -4.096 -6.895 12.302 366 H GLN 43 H GLN 43 -1.474 0.601 9.302 367 HA GLN 43 HA GLN 43 -2.593 0.453 11.945 368 HB2 GLN 43 HB2 GLN 43 -1.637 2.845 10.362 369 HB3 GLN 43 HB3 GLN 43 -2.028 2.844 12.077 370 HG2 GLN 43 HG2 GLN 43 0.009 0.922 11.084 371 HG3 GLN 43 HG3 GLN 43 0.447 2.623 11.232 372 HE21 GLN 43 HE21 GLN 43 0.043 -0.314 12.843 373 HE22 GLN 43 HE22 GLN 43 0.264 0.257 14.458 374 H LYS 44 H LYS 44 -3.694 1.382 8.797 375 HA LYS 44 HA LYS 44 -6.013 2.802 9.814 376 HB2 LYS 44 HB2 LYS 44 -5.058 2.124 7.035 377 HB3 LYS 44 HB3 LYS 44 -6.610 2.892 7.340 378 HG2 LYS 44 HG2 LYS 44 -3.948 4.018 8.181 379 HG3 LYS 44 HG3 LYS 44 -4.830 4.484 6.724 380 HD2 LYS 44 HD2 LYS 44 -6.780 4.964 8.371 381 HD3 LYS 44 HD3 LYS 44 -5.510 4.988 9.597 382 HE2 LYS 44 HE2 LYS 44 -5.129 6.579 7.109 383 HE3 LYS 44 HE3 LYS 44 -6.246 7.183 8.332 384 HZ1 LYS 44 HZ1 LYS 44 -4.484 7.132 9.953 385 HZ2 LYS 44 HZ2 LYS 44 -3.984 8.040 8.617 386 HZ3 LYS 44 HZ3 LYS 44 -3.408 6.464 8.832 387 H LEU 45 H LEU 45 -5.233 -0.296 8.338 388 HA LEU 45 HA LEU 45 -7.909 -1.164 7.980 389 HB2 LEU 45 HB2 LEU 45 -6.312 -2.286 6.702 390 HB3 LEU 45 HB3 LEU 45 -5.254 -2.546 8.088 391 HG LEU 45 HG LEU 45 -6.916 -4.180 8.968 392 HD11 LEU 45 HD11 LEU 45 -8.686 -3.058 7.295 393 HD12 LEU 45 HD12 LEU 45 -8.845 -4.699 7.920 394 HD13 LEU 45 HD13 LEU 45 -8.174 -4.430 6.312 395 HD21 LEU 45 HD21 LEU 45 -4.970 -4.500 7.041 396 HD22 LEU 45 HD22 LEU 45 -6.365 -5.336 6.358 397 HD23 LEU 45 HD23 LEU 45 -5.756 -5.790 7.951 398 H LYS 46 H LYS 46 -5.494 -1.824 10.505 399 HA LYS 46 HA LYS 46 -6.948 -3.547 12.096 400 HB2 LYS 46 HB2 LYS 46 -4.510 -2.504 12.305 401 HB3 LYS 46 HB3 LYS 46 -5.325 -1.444 13.447 402 HG2 LYS 46 HG2 LYS 46 -6.175 -3.545 14.577 403 HG3 LYS 46 HG3 LYS 46 -5.021 -4.428 13.574 404 HD2 LYS 46 HD2 LYS 46 -3.397 -2.529 14.546 405 HD3 LYS 46 HD3 LYS 46 -4.556 -2.623 15.873 406 HE2 LYS 46 HE2 LYS 46 -4.131 -5.243 15.441 407 HE3 LYS 46 HE3 LYS 46 -2.570 -4.598 14.934 408 HZ1 LYS 46 HZ1 LYS 46 -3.539 -4.989 17.544 409 HZ2 LYS 46 HZ2 LYS 46 -3.260 -3.337 17.318 410 HZ3 LYS 46 HZ3 LYS 46 -2.012 -4.448 17.056 411 H LYS 47 H LYS 47 -7.275 -0.098 11.716 412 HA LYS 47 HA LYS 47 -8.815 0.409 14.036 413 HB2 LYS 47 HB2 LYS 47 -7.683 2.179 12.741 414 HB3 LYS 47 HB3 LYS 47 -8.789 1.898 11.403 415 HG2 LYS 47 HG2 LYS 47 -9.816 3.674 12.372 416 HG3 LYS 47 HG3 LYS 47 -10.601 2.370 13.265 417 HD2 LYS 47 HD2 LYS 47 -8.061 3.399 14.379 418 HD3 LYS 47 HD3 LYS 47 -9.453 4.481 14.455 419 HE2 LYS 47 HE2 LYS 47 -9.792 1.647 15.305 420 HE3 LYS 47 HE3 LYS 47 -8.946 2.756 16.383 421 HZ1 LYS 47 HZ1 LYS 47 -11.152 4.151 15.624 422 HZ2 LYS 47 HZ2 LYS 47 -10.964 3.325 17.088 423 HZ3 LYS 47 HZ3 LYS 47 -11.743 2.574 15.787 424 H ILE 48 H ILE 48 -9.799 -0.010 10.633 425 HA ILE 48 HA ILE 48 -12.579 -0.035 11.218 426 HB ILE 48 HB ILE 48 -11.815 0.562 8.999 427 HG12 ILE 48 HG12 ILE 48 -13.275 -2.074 8.793 428 HG13 ILE 48 HG13 ILE 48 -14.043 -0.592 9.351 429 HG21 ILE 48 HG21 ILE 48 -10.948 -1.269 7.490 430 HG22 ILE 48 HG22 ILE 48 -9.838 -0.706 8.739 431 HG23 ILE 48 HG23 ILE 48 -10.701 -2.230 8.948 432 HD11 ILE 48 HD11 ILE 48 -14.046 -1.432 6.797 433 HD12 ILE 48 HD12 ILE 48 -14.189 0.258 7.281 434 HD13 ILE 48 HD13 ILE 48 -12.625 -0.389 6.787 435 H ALA 49 H ALA 49 -10.101 -2.466 11.181 436 HA ALA 49 HA ALA 49 -11.870 -4.715 11.039 437 HB1 ALA 49 HB1 ALA 49 -8.966 -4.440 11.772 438 HB2 ALA 49 HB2 ALA 49 -9.817 -5.985 11.774 439 HB3 ALA 49 HB3 ALA 49 -9.659 -5.068 10.277 440 H GLY 50 H GLY 50 -10.670 -2.664 13.563 441 HA2 GLY 50 HA2 GLY 50 -11.066 -2.612 15.823 442 HA3 GLY 50 HA3 GLY 50 -12.508 -3.554 15.471 443 H LEU 51 H LEU 51 -9.045 -4.322 15.180 444 HA LEU 51 HA LEU 51 -9.501 -6.895 16.415 445 HB2 LEU 51 HB2 LEU 51 -6.834 -5.739 15.666 446 HB3 LEU 51 HB3 LEU 51 -7.297 -7.435 15.792 447 HG LEU 51 HG LEU 51 -8.324 -5.553 13.672 448 HD11 LEU 51 HD11 LEU 51 -6.436 -7.713 12.988 449 HD12 LEU 51 HD12 LEU 51 -5.758 -6.317 13.824 450 HD13 LEU 51 HD13 LEU 51 -6.618 -6.099 12.300 451 HD21 LEU 51 HD21 LEU 51 -8.575 -8.508 14.157 452 HD22 LEU 51 HD22 LEU 51 -8.840 -7.786 12.570 453 HD23 LEU 51 HD23 LEU 51 -9.857 -7.317 13.934 Start of MODEL 2 1 H1 MET 1 H MET 1 1.520 -0.481 -0.030 2 HA MET 1 HA MET 1 3.294 0.477 -2.165 3 HB2 MET 1 HB2 MET 1 4.167 -0.296 0.137 4 HB3 MET 1 HB3 MET 1 3.812 -1.923 -0.428 5 HG2 MET 1 HG2 MET 1 5.338 -1.663 -2.273 6 HG3 MET 1 HG3 MET 1 5.628 0.019 -1.835 7 HE1 MET 1 HE1 MET 1 7.458 0.734 -0.872 8 HE2 MET 1 HE2 MET 1 6.999 0.564 0.822 9 HE3 MET 1 HE3 MET 1 8.552 -0.059 0.262 10 H SER 2 H SER 2 2.070 -2.694 -1.076 11 HA SER 2 HA SER 2 1.159 -3.275 -3.780 12 HB2 SER 2 HB2 SER 2 2.904 -5.328 -2.461 13 HB3 SER 2 HB3 SER 2 2.511 -5.131 -4.169 14 HG SER 2 HG SER 2 3.878 -3.366 -4.256 15 H TRP 3 H TRP 3 0.103 -5.518 -3.824 16 HA TRP 3 HA TRP 3 -1.651 -5.678 -1.504 17 HB2 TRP 3 HB2 TRP 3 -2.771 -5.633 -3.627 18 HB3 TRP 3 HB3 TRP 3 -1.770 -6.943 -4.245 19 HD1 TRP 3 HD1 TRP 3 -3.030 -9.156 -4.326 20 HE1 TRP 3 HE1 TRP 3 -4.913 -10.271 -2.971 21 HE3 TRP 3 HE3 TRP 3 -3.810 -5.487 -0.853 22 HZ2 TRP 3 HZ2 TRP 3 -6.517 -9.673 -0.727 23 HZ3 TRP 3 HZ3 TRP 3 -5.538 -5.837 0.864 24 HH2 TRP 3 HH2 TRP 3 -6.863 -7.887 0.923 25 H LEU 4 H LEU 4 -0.021 -8.090 -3.573 26 HA LEU 4 HA LEU 4 -0.264 -10.263 -1.890 27 HB2 LEU 4 HB2 LEU 4 1.946 -9.560 -3.810 28 HB3 LEU 4 HB3 LEU 4 1.794 -11.131 -3.026 29 HG LEU 4 HG LEU 4 -0.368 -9.986 -4.777 30 HD11 LEU 4 HD11 LEU 4 1.358 -12.083 -5.887 31 HD12 LEU 4 HD12 LEU 4 2.118 -10.500 -5.723 32 HD13 LEU 4 HD13 LEU 4 0.635 -10.673 -6.662 33 HD21 LEU 4 HD21 LEU 4 -1.411 -11.733 -3.827 34 HD22 LEU 4 HD22 LEU 4 0.097 -12.485 -3.306 35 HD23 LEU 4 HD23 LEU 4 -0.463 -12.690 -4.966 36 H ASN 5 H ASN 5 2.232 -7.761 -1.918 37 HA ASN 5 HA ASN 5 3.938 -8.910 -0.007 38 HB2 ASN 5 HB2 ASN 5 3.477 -5.972 -0.569 39 HB3 ASN 5 HB3 ASN 5 4.874 -6.662 0.251 40 HD21 ASN 5 HD21 ASN 5 5.356 -5.106 -1.849 41 HD22 ASN 5 HD22 ASN 5 5.855 -6.035 -3.218 42 H PHE 6 H PHE 6 1.305 -6.550 0.363 43 HA PHE 6 HA PHE 6 1.486 -6.078 3.075 44 HB2 PHE 6 HB2 PHE 6 -0.060 -4.914 1.506 45 HB3 PHE 6 HB3 PHE 6 -1.083 -6.347 1.502 46 HD1 PHE 6 HD2 PHE 6 0.670 -4.666 4.319 47 HD2 PHE 6 HD1 PHE 6 -3.050 -5.717 2.538 48 HE1 PHE 6 HE2 PHE 6 -0.514 -3.820 6.302 49 HE2 PHE 6 HE1 PHE 6 -4.241 -4.871 4.518 50 HZ PHE 6 HZ PHE 6 -2.973 -3.923 6.405 51 H LEU 7 H LEU 7 -0.639 -8.492 1.528 52 HA LEU 7 HA LEU 7 -1.545 -9.718 3.848 53 HB2 LEU 7 HB2 LEU 7 -1.037 -11.006 1.170 54 HB3 LEU 7 HB3 LEU 7 -2.069 -11.649 2.446 55 HG LEU 7 HG LEU 7 -2.564 -9.091 0.922 56 HD11 LEU 7 HD11 LEU 7 -3.298 -11.894 0.437 57 HD12 LEU 7 HD12 LEU 7 -3.196 -10.533 -0.680 58 HD13 LEU 7 HD13 LEU 7 -4.626 -10.737 0.332 59 HD21 LEU 7 HD21 LEU 7 -3.865 -10.400 3.245 60 HD22 LEU 7 HD22 LEU 7 -4.908 -9.658 2.032 61 HD23 LEU 7 HD23 LEU 7 -3.688 -8.688 2.859 62 H LYS 8 H LYS 8 1.497 -10.024 2.201 63 HA LYS 8 HA LYS 8 2.281 -12.435 3.571 64 HB2 LYS 8 HB2 LYS 8 3.783 -10.482 1.827 65 HB3 LYS 8 HB3 LYS 8 4.541 -11.889 2.563 66 HG2 LYS 8 HG2 LYS 8 2.083 -12.284 0.936 67 HG3 LYS 8 HG3 LYS 8 3.611 -11.966 0.111 68 HD2 LYS 8 HD2 LYS 8 4.583 -13.921 0.885 69 HD3 LYS 8 HD3 LYS 8 3.469 -14.054 2.248 70 HE2 LYS 8 HE2 LYS 8 2.801 -15.734 0.751 71 HE3 LYS 8 HE3 LYS 8 1.645 -14.424 0.511 72 HZ1 LYS 8 HZ1 LYS 8 3.798 -15.347 -1.262 73 HZ2 LYS 8 HZ2 LYS 8 3.312 -13.729 -1.335 74 HZ3 LYS 8 HZ3 LYS 8 2.193 -14.961 -1.633 75 H TYR 9 H TYR 9 2.514 -9.018 4.101 76 HA TYR 9 HA TYR 9 4.610 -9.202 6.068 77 HB2 TYR 9 HB2 TYR 9 4.481 -7.158 4.834 78 HB3 TYR 9 HB3 TYR 9 2.776 -6.957 5.221 79 HD1 TYR 9 HD1 TYR 9 5.791 -7.669 7.317 80 HD2 TYR 9 HD2 TYR 9 2.494 -5.092 6.549 81 HE1 TYR 9 HE1 TYR 9 6.402 -6.314 9.276 82 HE2 TYR 9 HE2 TYR 9 3.097 -3.729 8.506 83 HH TYR 9 HH TYR 9 5.522 -4.741 10.774 84 H ILE 10 H ILE 10 1.153 -8.332 6.203 85 HA ILE 10 HA ILE 10 1.010 -8.360 9.028 86 HB ILE 10 HB ILE 10 -1.444 -8.404 8.716 87 HG12 ILE 10 HG12 ILE 10 -1.060 -8.248 5.755 88 HG13 ILE 10 HG13 ILE 10 -1.086 -9.833 6.519 89 HG21 ILE 10 HG21 ILE 10 0.369 -6.460 7.452 90 HG22 ILE 10 HG22 ILE 10 -1.326 -6.338 6.987 91 HG23 ILE 10 HG23 ILE 10 -0.868 -6.226 8.686 92 HD11 ILE 10 HD11 ILE 10 -3.272 -8.789 5.584 93 HD12 ILE 10 HD12 ILE 10 -3.293 -9.651 7.123 94 HD13 ILE 10 HD13 ILE 10 -3.266 -7.888 7.099 95 H ALA 11 H ALA 11 1.012 -10.859 6.688 96 HA ALA 11 HA ALA 11 -0.531 -12.849 7.811 97 HB1 ALA 11 HB1 ALA 11 1.657 -12.708 5.923 98 HB2 ALA 11 HB2 ALA 11 1.712 -14.190 6.879 99 HB3 ALA 11 HB3 ALA 11 0.263 -13.789 5.957 100 H LYS 12 H LYS 12 2.566 -11.625 8.847 101 HA LYS 12 HA LYS 12 3.380 -13.736 10.500 102 HB2 LYS 12 HB2 LYS 12 4.851 -12.147 11.559 103 HB3 LYS 12 HB3 LYS 12 4.804 -11.807 9.834 104 HG2 LYS 12 HG2 LYS 12 3.030 -10.063 10.404 105 HG3 LYS 12 HG3 LYS 12 3.548 -10.268 12.078 106 HD2 LYS 12 HD2 LYS 12 5.923 -9.859 11.164 107 HD3 LYS 12 HD3 LYS 12 5.104 -9.222 9.735 108 HE2 LYS 12 HE2 LYS 12 5.496 -7.348 11.090 109 HE3 LYS 12 HE3 LYS 12 3.798 -7.744 11.348 110 HZ1 LYS 12 HZ1 LYS 12 5.890 -8.788 13.149 111 HZ2 LYS 12 HZ2 LYS 12 4.235 -8.599 13.445 112 HZ3 LYS 12 HZ3 LYS 12 5.242 -7.242 13.377 113 H TYR 13 H TYR 13 1.147 -11.082 11.043 114 HA TYR 13 HA TYR 13 0.900 -11.342 13.836 115 HB2 TYR 13 HB2 TYR 13 -1.079 -10.316 11.792 116 HB3 TYR 13 HB3 TYR 13 -1.255 -10.130 13.533 117 HD1 TYR 13 HD2 TYR 13 0.992 -9.111 14.668 118 HD2 TYR 13 HD1 TYR 13 -0.278 -8.484 10.656 119 HE1 TYR 13 HE2 TYR 13 2.306 -7.034 14.582 120 HE2 TYR 13 HE1 TYR 13 1.034 -6.406 10.558 121 HH TYR 13 HH TYR 13 2.805 -5.218 13.393 122 H GLY 14 H GLY 14 -0.396 -13.174 11.199 123 HA2 GLY 14 HA2 GLY 14 -1.037 -15.488 12.021 124 HA3 GLY 14 HA3 GLY 14 -2.156 -14.630 13.070 125 H LYS 15 H LYS 15 -3.676 -16.124 11.928 126 HA LYS 15 HA LYS 15 -4.378 -15.255 9.227 127 HB2 LYS 15 HB2 LYS 15 -5.466 -17.524 10.905 128 HB3 LYS 15 HB3 LYS 15 -5.913 -17.187 9.238 129 HG2 LYS 15 HG2 LYS 15 -3.658 -17.647 8.501 130 HG3 LYS 15 HG3 LYS 15 -3.136 -17.884 10.170 131 HD2 LYS 15 HD2 LYS 15 -4.843 -19.738 10.314 132 HD3 LYS 15 HD3 LYS 15 -5.040 -19.582 8.567 133 HE2 LYS 15 HE2 LYS 15 -3.472 -21.277 8.752 134 HE3 LYS 15 HE3 LYS 15 -2.468 -19.851 8.496 135 HZ1 LYS 15 HZ1 LYS 15 -2.334 -21.645 10.598 136 HZ2 LYS 15 HZ2 LYS 15 -2.953 -20.215 11.257 137 HZ3 LYS 15 HZ3 LYS 15 -1.477 -20.196 10.431 138 H LYS 16 H LYS 16 -4.839 -13.640 11.695 139 HA LYS 16 HA LYS 16 -7.773 -13.510 11.693 140 HB2 LYS 16 HB2 LYS 16 -5.685 -12.502 13.615 141 HB3 LYS 16 HB3 LYS 16 -7.349 -11.934 13.675 142 HG2 LYS 16 HG2 LYS 16 -6.772 -14.863 13.725 143 HG3 LYS 16 HG3 LYS 16 -6.598 -13.896 15.192 144 HD2 LYS 16 HD2 LYS 16 -9.098 -13.635 13.590 145 HD3 LYS 16 HD3 LYS 16 -8.880 -15.070 14.595 146 HE2 LYS 16 HE2 LYS 16 -9.915 -13.673 16.087 147 HE3 LYS 16 HE3 LYS 16 -8.226 -13.293 16.418 148 HZ1 LYS 16 HZ1 LYS 16 -8.544 -11.206 15.785 149 HZ2 LYS 16 HZ2 LYS 16 -10.204 -11.522 15.711 150 HZ3 LYS 16 HZ3 LYS 16 -9.252 -11.672 14.320 151 H ALA 17 H ALA 17 -4.870 -11.548 11.236 152 HA ALA 17 HA ALA 17 -6.338 -9.162 10.605 153 HB1 ALA 17 HB1 ALA 17 -4.179 -8.891 11.576 154 HB2 ALA 17 HB2 ALA 17 -3.427 -9.882 10.325 155 HB3 ALA 17 HB3 ALA 17 -4.090 -8.300 9.916 156 H VAL 18 H VAL 18 -5.019 -11.853 8.827 157 HA VAL 18 HA VAL 18 -4.964 -10.700 6.258 158 HB VAL 18 HB VAL 18 -3.859 -12.836 6.799 159 HG11 VAL 18 HG11 VAL 18 -5.829 -13.652 8.193 160 HG12 VAL 18 HG12 VAL 18 -6.561 -14.143 6.664 161 HG13 VAL 18 HG13 VAL 18 -5.023 -14.842 7.172 162 HG21 VAL 18 HG21 VAL 18 -4.715 -14.097 4.744 163 HG22 VAL 18 HG22 VAL 18 -5.848 -12.759 4.550 164 HG23 VAL 18 HG23 VAL 18 -4.111 -12.458 4.499 165 H SER 19 H SER 19 -7.535 -12.144 8.149 166 HA SER 19 HA SER 19 -9.407 -12.438 6.043 167 HB2 SER 19 HB2 SER 19 -9.439 -13.465 8.424 168 HB3 SER 19 HB3 SER 19 -10.200 -11.948 8.904 169 HG SER 19 HG SER 19 -11.221 -13.305 6.683 170 H ALA 20 H ALA 20 -9.035 -9.933 8.547 171 HA ALA 20 HA ALA 20 -11.118 -8.269 7.805 172 HB1 ALA 20 HB1 ALA 20 -9.648 -6.420 8.770 173 HB2 ALA 20 HB2 ALA 20 -10.039 -7.778 9.826 174 HB3 ALA 20 HB3 ALA 20 -8.454 -7.685 9.059 175 H ALA 21 H ALA 21 -7.859 -8.492 6.474 176 HA ALA 21 HA ALA 21 -7.994 -6.205 4.824 177 HB1 ALA 21 HB1 ALA 21 -6.322 -8.702 4.620 178 HB2 ALA 21 HB2 ALA 21 -6.113 -7.287 3.588 179 HB3 ALA 21 HB3 ALA 21 -5.861 -7.154 5.328 180 H TRP 22 H TRP 22 -8.943 -9.560 4.346 181 HA TRP 22 HA TRP 22 -9.456 -9.314 1.553 182 HB2 TRP 22 HB2 TRP 22 -9.977 -11.357 3.656 183 HB3 TRP 22 HB3 TRP 22 -10.943 -11.438 2.185 184 HD1 TRP 22 HD1 TRP 22 -7.735 -12.589 3.563 185 HE1 TRP 22 HE1 TRP 22 -6.217 -13.512 1.700 186 HE3 TRP 22 HE3 TRP 22 -10.277 -10.823 -0.506 187 HZ2 TRP 22 HZ2 TRP 22 -6.112 -13.495 -1.120 188 HZ3 TRP 22 HZ3 TRP 22 -9.402 -11.320 -2.751 189 HH2 TRP 22 HH2 TRP 22 -7.362 -12.628 -3.050 190 H LYS 23 H LYS 23 -11.503 -9.212 4.448 191 HA LYS 23 HA LYS 23 -13.962 -8.923 3.108 192 HB2 LYS 23 HB2 LYS 23 -13.348 -9.378 5.648 193 HB3 LYS 23 HB3 LYS 23 -13.542 -7.634 5.766 194 HG2 LYS 23 HG2 LYS 23 -15.803 -8.055 4.573 195 HG3 LYS 23 HG3 LYS 23 -15.574 -9.721 5.111 196 HD2 LYS 23 HD2 LYS 23 -15.116 -8.624 7.427 197 HD3 LYS 23 HD3 LYS 23 -15.964 -7.238 6.734 198 HE2 LYS 23 HE2 LYS 23 -17.059 -10.046 6.870 199 HE3 LYS 23 HE3 LYS 23 -17.447 -8.757 8.009 200 HZ1 LYS 23 HZ1 LYS 23 -19.090 -8.235 6.631 201 HZ2 LYS 23 HZ2 LYS 23 -18.511 -9.252 5.410 202 HZ3 LYS 23 HZ3 LYS 23 -17.923 -7.671 5.544 203 H TYR 24 H TYR 24 -11.721 -6.515 4.446 204 HA TYR 24 HA TYR 24 -13.288 -4.386 3.178 205 HB2 TYR 24 HB2 TYR 24 -10.952 -4.093 5.073 206 HB3 TYR 24 HB3 TYR 24 -12.090 -2.842 4.584 207 HD1 TYR 24 HD1 TYR 24 -14.663 -4.279 4.857 208 HD2 TYR 24 HD2 TYR 24 -11.240 -4.250 7.384 209 HE1 TYR 24 HE1 TYR 24 -16.090 -4.819 6.787 210 HE2 TYR 24 HE2 TYR 24 -12.657 -4.791 9.320 211 HH TYR 24 HH TYR 24 -14.948 -4.651 10.020 212 H LYS 25 H LYS 25 -11.715 -6.177 1.577 213 HA LYS 25 HA LYS 25 -9.204 -5.276 0.853 214 HB2 LYS 25 HB2 LYS 25 -10.620 -7.299 0.003 215 HB3 LYS 25 HB3 LYS 25 -11.152 -6.176 -1.241 216 HG2 LYS 25 HG2 LYS 25 -9.087 -6.072 -2.228 217 HG3 LYS 25 HG3 LYS 25 -8.235 -6.493 -0.741 218 HD2 LYS 25 HD2 LYS 25 -8.069 -8.367 -2.199 219 HD3 LYS 25 HD3 LYS 25 -9.232 -8.792 -0.941 220 HE2 LYS 25 HE2 LYS 25 -10.253 -9.517 -2.905 221 HE3 LYS 25 HE3 LYS 25 -11.013 -7.957 -2.593 222 HZ1 LYS 25 HZ1 LYS 25 -8.893 -8.573 -4.570 223 HZ2 LYS 25 HZ2 LYS 25 -9.319 -6.993 -4.144 224 HZ3 LYS 25 HZ3 LYS 25 -10.459 -8.009 -4.872 225 H GLY 26 H GLY 26 -12.373 -4.128 -0.238 226 HA2 GLY 26 HA2 GLY 26 -11.501 -2.348 -2.214 227 HA3 GLY 26 HA3 GLY 26 -12.999 -2.196 -1.307 228 H LYS 27 H LYS 27 -11.223 -2.143 1.201 229 HA LYS 27 HA LYS 27 -10.693 0.742 1.065 230 HB2 LYS 27 HB2 LYS 27 -10.986 -0.997 3.519 231 HB3 LYS 27 HB3 LYS 27 -10.902 0.759 3.478 232 HG2 LYS 27 HG2 LYS 27 -13.021 0.781 2.192 233 HG3 LYS 27 HG3 LYS 27 -13.117 -0.970 2.397 234 HD2 LYS 27 HD2 LYS 27 -13.300 -0.757 4.766 235 HD3 LYS 27 HD3 LYS 27 -12.919 0.965 4.700 236 HE2 LYS 27 HE2 LYS 27 -15.271 -0.022 3.170 237 HE3 LYS 27 HE3 LYS 27 -15.407 0.095 4.924 238 HZ1 LYS 27 HZ1 LYS 27 -16.124 2.111 3.677 239 HZ2 LYS 27 HZ2 LYS 27 -14.517 2.340 3.201 240 HZ3 LYS 27 HZ3 LYS 27 -14.931 2.403 4.840 241 H VAL 28 H VAL 28 -9.211 -2.348 1.630 242 HA VAL 28 HA VAL 28 -6.825 -1.405 2.856 243 HB VAL 28 HB VAL 28 -7.170 -3.943 1.257 244 HG11 VAL 28 HG11 VAL 28 -5.326 -4.784 2.550 245 HG12 VAL 28 HG12 VAL 28 -4.846 -3.258 1.805 246 HG13 VAL 28 HG13 VAL 28 -5.276 -3.309 3.515 247 HG21 VAL 28 HG21 VAL 28 -7.308 -4.515 3.991 248 HG22 VAL 28 HG22 VAL 28 -8.378 -3.136 3.742 249 HG23 VAL 28 HG23 VAL 28 -8.614 -4.614 2.811 250 H LEU 29 H LEU 29 -7.416 -2.610 -0.453 251 HA LEU 29 HA LEU 29 -4.953 -1.997 -1.543 252 HB2 LEU 29 HB2 LEU 29 -7.706 -2.178 -2.694 253 HB3 LEU 29 HB3 LEU 29 -6.357 -1.674 -3.709 254 HG LEU 29 HG LEU 29 -6.803 -4.033 -4.011 255 HD11 LEU 29 HD11 LEU 29 -4.318 -4.052 -2.378 256 HD12 LEU 29 HD12 LEU 29 -4.401 -2.988 -3.781 257 HD13 LEU 29 HD13 LEU 29 -4.626 -4.725 -3.979 258 HD21 LEU 29 HD21 LEU 29 -6.571 -5.628 -2.196 259 HD22 LEU 29 HD22 LEU 29 -7.838 -4.459 -1.825 260 HD23 LEU 29 HD23 LEU 29 -6.255 -4.318 -1.058 261 H GLU 30 H GLU 30 -7.624 0.110 -0.801 262 HA GLU 30 HA GLU 30 -6.748 2.321 -2.374 263 HB2 GLU 30 HB2 GLU 30 -8.701 2.022 -0.106 264 HB3 GLU 30 HB3 GLU 30 -8.312 3.600 -0.775 265 HG2 GLU 30 HG2 GLU 30 -9.226 1.363 -2.537 266 HG3 GLU 30 HG3 GLU 30 -10.379 2.361 -1.653 267 H TRP 31 H TRP 31 -6.187 1.245 0.920 268 HA TRP 31 HA TRP 31 -4.860 3.653 1.736 269 HB2 TRP 31 HB2 TRP 31 -5.062 0.902 2.964 270 HB3 TRP 31 HB3 TRP 31 -4.156 2.217 3.708 271 HD1 TRP 31 HD1 TRP 31 -6.225 4.581 3.202 272 HE1 TRP 31 HE1 TRP 31 -8.430 4.637 4.528 273 HE3 TRP 31 HE3 TRP 31 -6.502 -0.350 4.524 274 HZ2 TRP 31 HZ2 TRP 31 -10.069 2.830 5.948 275 HZ3 TRP 31 HZ3 TRP 31 -8.420 -1.105 5.867 276 HH2 TRP 31 HH2 TRP 31 -10.166 0.454 6.563 277 H LEU 32 H LEU 32 -3.932 0.706 0.174 278 HA LEU 32 HA LEU 32 -1.158 0.799 0.779 279 HB2 LEU 32 HB2 LEU 32 -2.595 -0.492 -1.535 280 HB3 LEU 32 HB3 LEU 32 -0.919 -0.789 -1.081 281 HG LEU 32 HG LEU 32 -3.242 -1.385 0.740 282 HD11 LEU 32 HD11 LEU 32 -2.824 -2.641 -1.655 283 HD12 LEU 32 HD12 LEU 32 -3.627 -3.348 -0.253 284 HD13 LEU 32 HD13 LEU 32 -1.912 -3.650 -0.532 285 HD21 LEU 32 HD21 LEU 32 -1.541 -1.594 2.179 286 HD22 LEU 32 HD22 LEU 32 -0.332 -1.601 0.895 287 HD23 LEU 32 HD23 LEU 32 -1.180 -3.089 1.316 288 H ASN 33 H ASN 33 -3.169 2.412 -1.530 289 HA ASN 33 HA ASN 33 -0.873 3.311 -3.093 290 HB2 ASN 33 HB2 ASN 33 -2.773 2.656 -4.408 291 HB3 ASN 33 HB3 ASN 33 -3.851 3.675 -3.458 292 HD21 ASN 33 HD21 ASN 33 -3.832 5.899 -3.768 293 HD22 ASN 33 HD22 ASN 33 -3.118 6.624 -5.165 294 H VAL 34 H VAL 34 -3.694 4.853 -1.539 295 HA VAL 34 HA VAL 34 -2.681 7.464 -1.608 296 HB VAL 34 HB VAL 34 -4.380 8.043 0.008 297 HG11 VAL 34 HG11 VAL 34 -6.156 7.658 -1.352 298 HG12 VAL 34 HG12 VAL 34 -4.881 7.099 -2.438 299 HG13 VAL 34 HG13 VAL 34 -5.813 5.934 -1.496 300 HG21 VAL 34 HG21 VAL 34 -4.105 5.222 0.751 301 HG22 VAL 34 HG22 VAL 34 -4.597 6.609 1.723 302 HG23 VAL 34 HG23 VAL 34 -5.770 5.799 0.685 303 H GLY 35 H GLY 35 -2.097 4.825 0.584 304 HA2 GLY 35 HA2 GLY 35 -0.915 6.501 2.627 305 HA3 GLY 35 HA3 GLY 35 -0.974 4.744 2.620 306 HA PRO 36 HA PRO 36 3.291 6.476 1.406 307 HB2 PRO 36 HB2 PRO 36 4.600 5.957 3.727 308 HB3 PRO 36 HB3 PRO 36 3.793 7.496 3.403 309 HG2 PRO 36 HG2 PRO 36 2.829 5.150 4.993 310 HG3 PRO 36 HG3 PRO 36 2.715 6.879 5.369 311 HD2 PRO 36 HD2 PRO 36 0.636 5.467 4.361 312 HD3 PRO 36 HD3 PRO 36 0.890 7.186 3.995 313 H THR 37 H THR 37 2.654 3.764 3.637 314 HA THR 37 HA THR 37 3.752 1.895 1.711 315 HB THR 37 HB THR 37 5.257 0.870 3.483 316 HG1 THR 37 HG1 THR 37 4.671 3.375 4.686 317 HG21 THR 37 HG21 THR 37 6.241 3.607 2.788 318 HG22 THR 37 HG22 THR 37 5.893 2.453 1.501 319 HG23 THR 37 HG23 THR 37 7.091 2.064 2.735 320 H LEU 38 H LEU 38 3.858 -0.388 2.975 321 HA LEU 38 HA LEU 38 1.198 -1.088 3.489 322 HB2 LEU 38 HB2 LEU 38 3.691 -2.565 4.316 323 HB3 LEU 38 HB3 LEU 38 2.072 -3.248 4.190 324 HG LEU 38 HG LEU 38 3.644 -2.154 1.860 325 HD11 LEU 38 HD11 LEU 38 4.878 -4.016 2.312 326 HD12 LEU 38 HD12 LEU 38 3.591 -4.744 1.351 327 HD13 LEU 38 HD13 LEU 38 3.542 -4.846 3.111 328 HD21 LEU 38 HD21 LEU 38 1.735 -3.972 0.997 329 HD22 LEU 38 HD22 LEU 38 1.663 -2.216 0.848 330 HD23 LEU 38 HD23 LEU 38 0.906 -3.017 2.226 331 H GLU 39 H GLU 39 3.801 -0.138 5.635 332 HA GLU 39 HA GLU 39 2.848 -0.982 8.082 333 HB2 GLU 39 HB2 GLU 39 5.023 0.260 7.521 334 HB3 GLU 39 HB3 GLU 39 4.083 1.736 7.693 335 HG2 GLU 39 HG2 GLU 39 3.453 0.900 9.998 336 HG3 GLU 39 HG3 GLU 39 4.706 -0.321 9.787 337 H TRP 40 H TRP 40 2.268 2.226 6.628 338 HA TRP 40 HA TRP 40 0.479 3.195 8.492 339 HB2 TRP 40 HB2 TRP 40 1.476 4.479 6.582 340 HB3 TRP 40 HB3 TRP 40 0.315 3.694 5.514 341 HD1 TRP 40 HD1 TRP 40 0.331 6.046 8.592 342 HE1 TRP 40 HE1 TRP 40 -1.761 7.540 8.460 343 HE3 TRP 40 HE3 TRP 40 -1.877 3.988 4.466 344 HZ2 TRP 40 HZ2 TRP 40 -4.044 7.811 6.823 345 HZ3 TRP 40 HZ3 TRP 40 -4.014 4.923 3.682 346 HH2 TRP 40 HH2 TRP 40 -5.074 6.794 4.838 347 H VAL 41 H VAL 41 -0.283 1.416 5.501 348 HA VAL 41 HA VAL 41 -3.034 1.361 5.693 349 HB VAL 41 HB VAL 41 -1.275 -0.891 4.710 350 HG11 VAL 41 HG11 VAL 41 -4.063 -0.765 5.027 351 HG12 VAL 41 HG12 VAL 41 -3.751 -0.575 3.301 352 HG13 VAL 41 HG13 VAL 41 -3.128 -1.984 4.161 353 HG21 VAL 41 HG21 VAL 41 -2.012 1.733 3.581 354 HG22 VAL 41 HG22 VAL 41 -0.591 0.731 3.290 355 HG23 VAL 41 HG23 VAL 41 -2.113 0.359 2.481 356 H TRP 42 H TRP 42 -0.721 -0.969 7.065 357 HA TRP 42 HA TRP 42 -2.501 -2.749 8.204 358 HB2 TRP 42 HB2 TRP 42 -0.177 -3.285 8.204 359 HB3 TRP 42 HB3 TRP 42 0.225 -1.840 9.127 360 HD1 TRP 42 HD1 TRP 42 1.087 -2.683 11.388 361 HE1 TRP 42 HE1 TRP 42 0.250 -4.337 13.174 362 HE3 TRP 42 HE3 TRP 42 -2.986 -4.547 8.924 363 HZ2 TRP 42 HZ2 TRP 42 -1.857 -6.187 13.496 364 HZ3 TRP 42 HZ3 TRP 42 -4.360 -6.256 10.041 365 HH2 TRP 42 HH2 TRP 42 -3.805 -7.058 12.279 366 H GLN 43 H GLN 43 -1.333 0.335 9.468 367 HA GLN 43 HA GLN 43 -2.524 0.102 12.024 368 HB2 GLN 43 HB2 GLN 43 -1.494 2.412 10.406 369 HB3 GLN 43 HB3 GLN 43 -2.314 2.685 11.937 370 HG2 GLN 43 HG2 GLN 43 0.096 0.917 11.613 371 HG3 GLN 43 HG3 GLN 43 0.167 2.614 12.083 372 HE21 GLN 43 HE21 GLN 43 0.948 0.153 13.512 373 HE22 GLN 43 HE22 GLN 43 0.096 0.203 15.014 374 H LYS 44 H LYS 44 -3.515 2.055 9.207 375 HA LYS 44 HA LYS 44 -5.953 2.929 10.192 376 HB2 LYS 44 HB2 LYS 44 -4.840 2.512 7.456 377 HB3 LYS 44 HB3 LYS 44 -6.562 2.834 7.611 378 HG2 LYS 44 HG2 LYS 44 -4.541 4.606 8.928 379 HG3 LYS 44 HG3 LYS 44 -4.967 4.808 7.226 380 HD2 LYS 44 HD2 LYS 44 -7.425 4.709 8.230 381 HD3 LYS 44 HD3 LYS 44 -6.587 5.295 9.668 382 HE2 LYS 44 HE2 LYS 44 -5.947 7.270 8.648 383 HE3 LYS 44 HE3 LYS 44 -6.092 6.598 7.025 384 HZ1 LYS 44 HZ1 LYS 44 -8.544 6.514 7.436 385 HZ2 LYS 44 HZ2 LYS 44 -7.894 8.072 7.331 386 HZ3 LYS 44 HZ3 LYS 44 -8.285 7.419 8.842 387 H LEU 45 H LEU 45 -5.146 -0.088 8.555 388 HA LEU 45 HA LEU 45 -7.799 -1.022 8.252 389 HB2 LEU 45 HB2 LEU 45 -6.199 -2.061 6.908 390 HB3 LEU 45 HB3 LEU 45 -5.109 -2.339 8.265 391 HG LEU 45 HG LEU 45 -6.721 -4.038 9.123 392 HD11 LEU 45 HD11 LEU 45 -8.542 -2.911 7.512 393 HD12 LEU 45 HD12 LEU 45 -8.649 -4.577 8.080 394 HD13 LEU 45 HD13 LEU 45 -8.007 -4.233 6.474 395 HD21 LEU 45 HD21 LEU 45 -4.797 -4.250 7.155 396 HD22 LEU 45 HD22 LEU 45 -6.181 -5.110 6.478 397 HD23 LEU 45 HD23 LEU 45 -5.529 -5.584 8.047 398 H LYS 46 H LYS 46 -5.312 -1.695 10.704 399 HA LYS 46 HA LYS 46 -6.703 -3.496 12.272 400 HB2 LYS 46 HB2 LYS 46 -4.271 -2.394 12.447 401 HB3 LYS 46 HB3 LYS 46 -5.083 -1.435 13.677 402 HG2 LYS 46 HG2 LYS 46 -5.822 -3.605 14.719 403 HG3 LYS 46 HG3 LYS 46 -4.723 -4.417 13.602 404 HD2 LYS 46 HD2 LYS 46 -3.035 -2.602 14.579 405 HD3 LYS 46 HD3 LYS 46 -4.132 -2.712 15.958 406 HE2 LYS 46 HE2 LYS 46 -3.783 -5.326 15.430 407 HE3 LYS 46 HE3 LYS 46 -2.235 -4.697 14.869 408 HZ1 LYS 46 HZ1 LYS 46 -1.783 -3.798 16.993 409 HZ2 LYS 46 HZ2 LYS 46 -2.312 -5.383 17.257 410 HZ3 LYS 46 HZ3 LYS 46 -3.357 -4.084 17.544 411 H LYS 47 H LYS 47 -7.098 -0.050 11.991 412 HA LYS 47 HA LYS 47 -8.582 0.359 14.374 413 HB2 LYS 47 HB2 LYS 47 -7.432 2.074 12.770 414 HB3 LYS 47 HB3 LYS 47 -8.971 2.036 11.919 415 HG2 LYS 47 HG2 LYS 47 -10.133 2.779 13.894 416 HG3 LYS 47 HG3 LYS 47 -8.644 2.699 14.838 417 HD2 LYS 47 HD2 LYS 47 -7.754 4.576 13.842 418 HD3 LYS 47 HD3 LYS 47 -8.716 4.382 12.375 419 HE2 LYS 47 HE2 LYS 47 -10.035 4.995 14.991 420 HE3 LYS 47 HE3 LYS 47 -9.298 6.283 14.039 421 HZ1 LYS 47 HZ1 LYS 47 -10.737 5.801 12.224 422 HZ2 LYS 47 HZ2 LYS 47 -11.701 5.939 13.607 423 HZ3 LYS 47 HZ3 LYS 47 -11.340 4.411 12.977 424 H ILE 48 H ILE 48 -9.603 0.001 10.978 425 HA ILE 48 HA ILE 48 -12.380 -0.044 11.607 426 HB ILE 48 HB ILE 48 -11.642 0.637 9.397 427 HG12 ILE 48 HG12 ILE 48 -13.137 -1.977 9.149 428 HG13 ILE 48 HG13 ILE 48 -13.875 -0.491 9.738 429 HG21 ILE 48 HG21 ILE 48 -10.510 -2.140 9.275 430 HG22 ILE 48 HG22 ILE 48 -10.854 -1.208 7.818 431 HG23 ILE 48 HG23 ILE 48 -9.693 -0.601 8.999 432 HD11 ILE 48 HD11 ILE 48 -13.903 -1.300 7.166 433 HD12 ILE 48 HD12 ILE 48 -14.048 0.380 7.682 434 HD13 ILE 48 HD13 ILE 48 -12.485 -0.253 7.166 435 H ALA 49 H ALA 49 -9.883 -2.432 11.523 436 HA ALA 49 HA ALA 49 -11.686 -4.682 11.363 437 HB1 ALA 49 HB1 ALA 49 -9.425 -4.804 10.415 438 HB2 ALA 49 HB2 ALA 49 -8.746 -4.620 12.032 439 HB3 ALA 49 HB3 ALA 49 -9.699 -6.050 11.633 440 H GLY 50 H GLY 50 -10.033 -2.855 13.854 441 HA2 GLY 50 HA2 GLY 50 -10.341 -2.819 16.133 442 HA3 GLY 50 HA3 GLY 50 -11.762 -3.824 15.888 443 H LEU 51 H LEU 51 -8.244 -4.250 15.471 444 HA LEU 51 HA LEU 51 -8.493 -6.882 16.738 445 HB2 LEU 51 HB2 LEU 51 -6.045 -5.809 15.375 446 HB3 LEU 51 HB3 LEU 51 -6.480 -7.488 15.689 447 HG LEU 51 HG LEU 51 -7.921 -5.704 13.730 448 HD11 LEU 51 HD11 LEU 51 -5.655 -7.640 13.351 449 HD12 LEU 51 HD12 LEU 51 -5.758 -5.955 12.840 450 HD13 LEU 51 HD13 LEU 51 -6.742 -7.181 12.040 451 HD21 LEU 51 HD21 LEU 51 -8.105 -8.602 14.477 452 HD22 LEU 51 HD22 LEU 51 -8.616 -8.031 12.889 453 HD23 LEU 51 HD23 LEU 51 -9.393 -7.405 14.343 Start of MODEL 3 1 H1 MET 1 H MET 1 2.163 -0.330 0.101 2 HA MET 1 HA MET 1 3.929 0.048 -2.126 3 HB2 MET 1 HB2 MET 1 4.717 -0.785 0.063 4 HB3 MET 1 HB3 MET 1 3.765 -2.246 -0.163 5 HG2 MET 1 HG2 MET 1 6.061 -2.696 -0.687 6 HG3 MET 1 HG3 MET 1 5.098 -2.776 -2.160 7 HE1 MET 1 HE1 MET 1 6.217 -1.722 -4.382 8 HE2 MET 1 HE2 MET 1 7.912 -1.325 -4.101 9 HE3 MET 1 HE3 MET 1 7.234 -2.815 -3.443 10 H SER 2 H SER 2 2.175 -2.897 -1.146 11 HA SER 2 HA SER 2 1.083 -3.233 -3.799 12 HB2 SER 2 HB2 SER 2 3.253 -5.045 -2.740 13 HB3 SER 2 HB3 SER 2 2.128 -5.553 -4.000 14 HG SER 2 HG SER 2 4.318 -4.386 -4.460 15 H TRP 3 H TRP 3 0.079 -5.610 -3.861 16 HA TRP 3 HA TRP 3 -1.649 -5.726 -1.524 17 HB2 TRP 3 HB2 TRP 3 -2.775 -5.785 -3.644 18 HB3 TRP 3 HB3 TRP 3 -1.753 -7.103 -4.212 19 HD1 TRP 3 HD1 TRP 3 -2.928 -9.364 -4.155 20 HE1 TRP 3 HE1 TRP 3 -4.806 -10.444 -2.766 21 HE3 TRP 3 HE3 TRP 3 -3.874 -5.508 -0.934 22 HZ2 TRP 3 HZ2 TRP 3 -6.470 -9.752 -0.592 23 HZ3 TRP 3 HZ3 TRP 3 -5.625 -5.798 0.770 24 HH2 TRP 3 HH2 TRP 3 -6.895 -7.877 0.935 25 H LEU 4 H LEU 4 -0.078 -8.239 -3.514 26 HA LEU 4 HA LEU 4 -0.239 -10.305 -1.692 27 HB2 LEU 4 HB2 LEU 4 1.961 -9.773 -3.683 28 HB3 LEU 4 HB3 LEU 4 1.655 -11.317 -2.891 29 HG LEU 4 HG LEU 4 -0.489 -10.050 -4.546 30 HD11 LEU 4 HD11 LEU 4 0.469 -11.530 -6.424 31 HD12 LEU 4 HD12 LEU 4 1.987 -11.413 -5.535 32 HD13 LEU 4 HD13 LEU 4 1.202 -9.952 -6.134 33 HD21 LEU 4 HD21 LEU 4 -0.378 -12.790 -4.942 34 HD22 LEU 4 HD22 LEU 4 -1.486 -11.925 -3.876 35 HD23 LEU 4 HD23 LEU 4 0.021 -12.584 -3.236 36 H ASN 5 H ASN 5 1.997 -7.632 -1.796 37 HA ASN 5 HA ASN 5 3.901 -8.720 0.023 38 HB2 ASN 5 HB2 ASN 5 3.330 -5.878 -0.836 39 HB3 ASN 5 HB3 ASN 5 4.673 -6.332 0.208 40 HD21 ASN 5 HD21 ASN 5 5.508 -5.103 -1.867 41 HD22 ASN 5 HD22 ASN 5 6.122 -6.152 -3.096 42 H PHE 6 H PHE 6 1.196 -6.446 0.377 43 HA PHE 6 HA PHE 6 1.480 -5.809 3.051 44 HB2 PHE 6 HB2 PHE 6 -0.152 -4.706 1.613 45 HB3 PHE 6 HB3 PHE 6 -1.077 -6.198 1.481 46 HD1 PHE 6 HD1 PHE 6 0.052 -3.608 3.874 47 HD2 PHE 6 HD2 PHE 6 -2.708 -6.746 3.065 48 HE1 PHE 6 HE1 PHE 6 -1.255 -2.965 5.857 49 HE2 PHE 6 HE2 PHE 6 -4.020 -6.108 5.046 50 HZ PHE 6 HZ PHE 6 -3.295 -4.215 6.445 51 H LEU 7 H LEU 7 -0.700 -8.325 1.762 52 HA LEU 7 HA LEU 7 -1.432 -9.461 4.174 53 HB2 LEU 7 HB2 LEU 7 -1.003 -10.953 1.592 54 HB3 LEU 7 HB3 LEU 7 -2.050 -11.429 2.927 55 HG LEU 7 HG LEU 7 -2.483 -8.965 1.245 56 HD11 LEU 7 HD11 LEU 7 -3.167 -11.784 0.779 57 HD12 LEU 7 HD12 LEU 7 -3.026 -10.444 -0.357 58 HD13 LEU 7 HD13 LEU 7 -4.499 -10.643 0.592 59 HD21 LEU 7 HD21 LEU 7 -4.083 -10.375 3.363 60 HD22 LEU 7 HD22 LEU 7 -4.812 -9.250 2.217 61 HD23 LEU 7 HD23 LEU 7 -3.556 -8.693 3.323 62 H LYS 8 H LYS 8 1.370 -10.178 2.139 63 HA LYS 8 HA LYS 8 2.328 -12.374 3.619 64 HB2 LYS 8 HB2 LYS 8 3.602 -10.432 1.716 65 HB3 LYS 8 HB3 LYS 8 4.580 -11.626 2.559 66 HG2 LYS 8 HG2 LYS 8 2.177 -12.362 0.914 67 HG3 LYS 8 HG3 LYS 8 3.807 -12.250 0.245 68 HD2 LYS 8 HD2 LYS 8 4.561 -14.080 1.429 69 HD3 LYS 8 HD3 LYS 8 3.336 -13.902 2.687 70 HE2 LYS 8 HE2 LYS 8 1.630 -14.531 0.929 71 HE3 LYS 8 HE3 LYS 8 2.988 -14.970 -0.106 72 HZ1 LYS 8 HZ1 LYS 8 2.232 -16.921 0.993 73 HZ2 LYS 8 HZ2 LYS 8 2.268 -16.173 2.509 74 HZ3 LYS 8 HZ3 LYS 8 3.714 -16.500 1.693 75 H TYR 9 H TYR 9 2.506 -8.954 4.140 76 HA TYR 9 HA TYR 9 4.656 -9.129 6.065 77 HB2 TYR 9 HB2 TYR 9 4.555 -7.112 4.783 78 HB3 TYR 9 HB3 TYR 9 2.861 -6.864 5.191 79 HD1 TYR 9 HD1 TYR 9 5.960 -7.530 7.182 80 HD2 TYR 9 HD2 TYR 9 2.572 -5.034 6.555 81 HE1 TYR 9 HE1 TYR 9 6.632 -6.147 9.102 82 HE2 TYR 9 HE2 TYR 9 3.235 -3.643 8.472 83 HH TYR 9 HH TYR 9 4.562 -3.708 10.422 84 H ILE 10 H ILE 10 1.218 -8.190 6.210 85 HA ILE 10 HA ILE 10 1.082 -8.113 9.025 86 HB ILE 10 HB ILE 10 -1.361 -8.168 8.742 87 HG12 ILE 10 HG12 ILE 10 -0.876 -8.400 5.775 88 HG13 ILE 10 HG13 ILE 10 -1.224 -9.804 6.779 89 HG21 ILE 10 HG21 ILE 10 0.423 -6.322 7.314 90 HG22 ILE 10 HG22 ILE 10 -1.271 -6.252 6.834 91 HG23 ILE 10 HG23 ILE 10 -0.821 -5.996 8.519 92 HD11 ILE 10 HD11 ILE 10 -3.158 -8.710 5.531 93 HD12 ILE 10 HD12 ILE 10 -3.388 -9.079 7.241 94 HD13 ILE 10 HD13 ILE 10 -3.041 -7.426 6.734 95 H ALA 11 H ALA 11 1.011 -10.719 6.777 96 HA ALA 11 HA ALA 11 -0.471 -12.658 8.062 97 HB1 ALA 11 HB1 ALA 11 0.327 -13.219 5.945 98 HB2 ALA 11 HB2 ALA 11 1.995 -12.825 6.365 99 HB3 ALA 11 HB3 ALA 11 1.237 -14.273 7.028 100 H LYS 12 H LYS 12 2.676 -11.397 8.881 101 HA LYS 12 HA LYS 12 3.616 -13.422 10.554 102 HB2 LYS 12 HB2 LYS 12 5.103 -11.798 11.474 103 HB3 LYS 12 HB3 LYS 12 4.895 -11.403 9.773 104 HG2 LYS 12 HG2 LYS 12 3.114 -9.753 10.544 105 HG3 LYS 12 HG3 LYS 12 3.761 -9.999 12.168 106 HD2 LYS 12 HD2 LYS 12 6.052 -9.495 11.007 107 HD3 LYS 12 HD3 LYS 12 5.036 -8.727 9.785 108 HE2 LYS 12 HE2 LYS 12 4.291 -7.100 11.236 109 HE3 LYS 12 HE3 LYS 12 4.590 -8.088 12.665 110 HZ1 LYS 12 HZ1 LYS 12 6.188 -6.091 11.759 111 HZ2 LYS 12 HZ2 LYS 12 6.981 -7.477 11.204 112 HZ3 LYS 12 HZ3 LYS 12 6.648 -7.297 12.853 113 H TYR 13 H TYR 13 1.248 -10.909 11.113 114 HA TYR 13 HA TYR 13 1.147 -11.176 13.943 115 HB2 TYR 13 HB2 TYR 13 -0.951 -10.109 12.043 116 HB3 TYR 13 HB3 TYR 13 -0.927 -9.874 13.787 117 HD1 TYR 13 HD2 TYR 13 1.412 -8.857 14.660 118 HD2 TYR 13 HD1 TYR 13 -0.192 -8.362 10.750 119 HE1 TYR 13 HE2 TYR 13 2.760 -6.820 14.371 120 HE2 TYR 13 HE1 TYR 13 1.152 -6.325 10.450 121 HH TYR 13 HH TYR 13 3.347 -5.180 13.001 122 H GLY 14 H GLY 14 -0.265 -12.911 11.297 123 HA2 GLY 14 HA2 GLY 14 -0.903 -15.242 12.149 124 HA3 GLY 14 HA3 GLY 14 -2.039 -14.356 13.154 125 H LYS 15 H LYS 15 -3.535 -15.861 11.984 126 HA LYS 15 HA LYS 15 -4.161 -15.011 9.258 127 HB2 LYS 15 HB2 LYS 15 -5.278 -17.269 10.930 128 HB3 LYS 15 HB3 LYS 15 -5.722 -16.934 9.261 129 HG2 LYS 15 HG2 LYS 15 -3.376 -17.314 8.596 130 HG3 LYS 15 HG3 LYS 15 -3.001 -17.743 10.267 131 HD2 LYS 15 HD2 LYS 15 -5.045 -19.148 8.548 132 HD3 LYS 15 HD3 LYS 15 -3.392 -19.711 8.807 133 HE2 LYS 15 HE2 LYS 15 -5.482 -19.310 10.947 134 HE3 LYS 15 HE3 LYS 15 -4.978 -20.860 10.275 135 HZ1 LYS 15 HZ1 LYS 15 -3.815 -20.579 12.290 136 HZ2 LYS 15 HZ2 LYS 15 -3.370 -18.990 11.917 137 HZ3 LYS 15 HZ3 LYS 15 -2.685 -20.281 11.066 138 H LYS 16 H LYS 16 -4.679 -13.369 11.693 139 HA LYS 16 HA LYS 16 -7.611 -13.247 11.652 140 HB2 LYS 16 HB2 LYS 16 -5.513 -12.362 13.579 141 HB3 LYS 16 HB3 LYS 16 -7.028 -11.469 13.533 142 HG2 LYS 16 HG2 LYS 16 -6.945 -14.453 13.838 143 HG3 LYS 16 HG3 LYS 16 -6.839 -13.358 15.218 144 HD2 LYS 16 HD2 LYS 16 -8.982 -12.299 14.340 145 HD3 LYS 16 HD3 LYS 16 -9.111 -13.702 13.276 146 HE2 LYS 16 HE2 LYS 16 -8.863 -15.104 15.400 147 HE3 LYS 16 HE3 LYS 16 -9.185 -13.610 16.278 148 HZ1 LYS 16 HZ1 LYS 16 -11.171 -15.030 15.837 149 HZ2 LYS 16 HZ2 LYS 16 -10.992 -14.690 14.190 150 HZ3 LYS 16 HZ3 LYS 16 -11.311 -13.438 15.282 151 H ALA 17 H ALA 17 -4.718 -11.370 10.974 152 HA ALA 17 HA ALA 17 -6.201 -8.987 10.298 153 HB1 ALA 17 HB1 ALA 17 -4.036 -8.672 11.250 154 HB2 ALA 17 HB2 ALA 17 -3.287 -9.703 10.031 155 HB3 ALA 17 HB3 ALA 17 -3.964 -8.141 9.570 156 H VAL 18 H VAL 18 -5.004 -11.796 8.667 157 HA VAL 18 HA VAL 18 -4.925 -10.749 6.033 158 HB VAL 18 HB VAL 18 -3.812 -12.862 6.702 159 HG11 VAL 18 HG11 VAL 18 -5.594 -13.750 8.127 160 HG12 VAL 18 HG12 VAL 18 -6.609 -13.993 6.704 161 HG13 VAL 18 HG13 VAL 18 -5.115 -14.912 6.891 162 HG21 VAL 18 HG21 VAL 18 -4.073 -12.485 4.372 163 HG22 VAL 18 HG22 VAL 18 -4.516 -14.166 4.665 164 HG23 VAL 18 HG23 VAL 18 -5.773 -12.954 4.419 165 H SER 19 H SER 19 -7.471 -12.071 8.031 166 HA SER 19 HA SER 19 -9.359 -12.450 5.929 167 HB2 SER 19 HB2 SER 19 -9.443 -13.582 8.179 168 HB3 SER 19 HB3 SER 19 -9.955 -12.041 8.866 169 HG SER 19 HG SER 19 -11.335 -13.134 6.674 170 H ALA 20 H ALA 20 -8.952 -9.929 8.407 171 HA ALA 20 HA ALA 20 -11.084 -8.299 7.667 172 HB1 ALA 20 HB1 ALA 20 -9.732 -6.451 8.719 173 HB2 ALA 20 HB2 ALA 20 -9.996 -7.874 9.728 174 HB3 ALA 20 HB3 ALA 20 -8.439 -7.630 8.936 175 H ALA 21 H ALA 21 -7.822 -8.517 6.363 176 HA ALA 21 HA ALA 21 -7.907 -6.192 4.764 177 HB1 ALA 21 HB1 ALA 21 -6.316 -8.700 4.246 178 HB2 ALA 21 HB2 ALA 21 -5.974 -7.076 3.646 179 HB3 ALA 21 HB3 ALA 21 -5.839 -7.426 5.369 180 H TRP 22 H TRP 22 -8.948 -9.505 4.218 181 HA TRP 22 HA TRP 22 -9.450 -9.172 1.425 182 HB2 TRP 22 HB2 TRP 22 -10.021 -11.275 3.465 183 HB3 TRP 22 HB3 TRP 22 -10.936 -11.304 1.960 184 HD1 TRP 22 HD1 TRP 22 -7.890 -12.675 3.390 185 HE1 TRP 22 HE1 TRP 22 -6.275 -13.493 1.561 186 HE3 TRP 22 HE3 TRP 22 -10.028 -10.399 -0.658 187 HZ2 TRP 22 HZ2 TRP 22 -5.949 -13.210 -1.228 188 HZ3 TRP 22 HZ3 TRP 22 -9.002 -10.723 -2.871 189 HH2 TRP 22 HH2 TRP 22 -7.005 -12.099 -3.148 190 H LYS 23 H LYS 23 -11.636 -9.505 4.226 191 HA LYS 23 HA LYS 23 -14.031 -9.031 2.929 192 HB2 LYS 23 HB2 LYS 23 -13.453 -9.618 5.437 193 HB3 LYS 23 HB3 LYS 23 -13.606 -7.879 5.655 194 HG2 LYS 23 HG2 LYS 23 -15.874 -8.167 4.450 195 HG3 LYS 23 HG3 LYS 23 -15.686 -9.872 4.863 196 HD2 LYS 23 HD2 LYS 23 -15.166 -8.884 7.252 197 HD3 LYS 23 HD3 LYS 23 -16.095 -7.514 6.639 198 HE2 LYS 23 HE2 LYS 23 -17.549 -9.055 7.820 199 HE3 LYS 23 HE3 LYS 23 -17.951 -9.032 6.104 200 HZ1 LYS 23 HZ1 LYS 23 -16.894 -11.101 5.781 201 HZ2 LYS 23 HZ2 LYS 23 -17.853 -11.283 7.163 202 HZ3 LYS 23 HZ3 LYS 23 -16.181 -11.077 7.316 203 H TYR 24 H TYR 24 -11.646 -6.730 4.109 204 HA TYR 24 HA TYR 24 -13.270 -4.537 3.003 205 HB2 TYR 24 HB2 TYR 24 -10.967 -4.248 4.932 206 HB3 TYR 24 HB3 TYR 24 -12.174 -3.040 4.504 207 HD1 TYR 24 HD1 TYR 24 -14.694 -4.425 4.775 208 HD2 TYR 24 HD2 TYR 24 -11.200 -4.723 7.184 209 HE1 TYR 24 HE1 TYR 24 -16.078 -5.125 6.684 210 HE2 TYR 24 HE2 TYR 24 -12.574 -5.426 9.100 211 HH TYR 24 HH TYR 24 -14.868 -5.272 9.873 212 H LYS 25 H LYS 25 -11.623 -6.289 1.409 213 HA LYS 25 HA LYS 25 -9.107 -5.350 0.773 214 HB2 LYS 25 HB2 LYS 25 -10.251 -7.388 -0.166 215 HB3 LYS 25 HB3 LYS 25 -11.134 -6.318 -1.247 216 HG2 LYS 25 HG2 LYS 25 -9.129 -5.648 -2.345 217 HG3 LYS 25 HG3 LYS 25 -8.132 -6.472 -1.145 218 HD2 LYS 25 HD2 LYS 25 -8.254 -7.790 -3.179 219 HD3 LYS 25 HD3 LYS 25 -9.083 -8.626 -1.863 220 HE2 LYS 25 HE2 LYS 25 -10.381 -8.769 -3.910 221 HE3 LYS 25 HE3 LYS 25 -11.233 -7.800 -2.709 222 HZ1 LYS 25 HZ1 LYS 25 -10.473 -5.803 -3.825 223 HZ2 LYS 25 HZ2 LYS 25 -11.324 -6.789 -4.903 224 HZ3 LYS 25 HZ3 LYS 25 -9.635 -6.724 -4.970 225 H GLY 26 H GLY 26 -12.246 -4.221 -0.446 226 HA2 GLY 26 HA2 GLY 26 -11.369 -2.387 -2.333 227 HA3 GLY 26 HA3 GLY 26 -12.855 -2.227 -1.408 228 H LYS 27 H LYS 27 -11.377 -2.128 1.149 229 HA LYS 27 HA LYS 27 -10.731 0.711 1.049 230 HB2 LYS 27 HB2 LYS 27 -11.292 -1.229 3.278 231 HB3 LYS 27 HB3 LYS 27 -10.604 0.356 3.604 232 HG2 LYS 27 HG2 LYS 27 -12.604 1.261 2.259 233 HG3 LYS 27 HG3 LYS 27 -13.305 -0.337 2.520 234 HD2 LYS 27 HD2 LYS 27 -12.629 0.133 5.018 235 HD3 LYS 27 HD3 LYS 27 -12.686 1.816 4.489 236 HE2 LYS 27 HE2 LYS 27 -14.939 -0.121 4.018 237 HE3 LYS 27 HE3 LYS 27 -14.819 0.865 5.474 238 HZ1 LYS 27 HZ1 LYS 27 -15.500 1.643 2.759 239 HZ2 LYS 27 HZ2 LYS 27 -14.509 2.723 3.603 240 HZ3 LYS 27 HZ3 LYS 27 -16.018 2.290 4.234 241 H VAL 28 H VAL 28 -9.206 -2.380 1.669 242 HA VAL 28 HA VAL 28 -6.803 -1.424 2.795 243 HB VAL 28 HB VAL 28 -7.180 -3.934 1.157 244 HG11 VAL 28 HG11 VAL 28 -5.280 -4.772 2.476 245 HG12 VAL 28 HG12 VAL 28 -4.845 -3.367 1.501 246 HG13 VAL 28 HG13 VAL 28 -5.123 -3.188 3.234 247 HG21 VAL 28 HG21 VAL 28 -8.238 -3.181 3.727 248 HG22 VAL 28 HG22 VAL 28 -8.528 -4.641 2.781 249 HG23 VAL 28 HG23 VAL 28 -7.151 -4.562 3.880 250 H LEU 29 H LEU 29 -7.444 -2.556 -0.530 251 HA LEU 29 HA LEU 29 -5.016 -1.894 -1.660 252 HB2 LEU 29 HB2 LEU 29 -7.793 -2.109 -2.721 253 HB3 LEU 29 HB3 LEU 29 -6.529 -1.467 -3.768 254 HG LEU 29 HG LEU 29 -6.903 -3.846 -4.163 255 HD11 LEU 29 HD11 LEU 29 -4.253 -3.339 -2.821 256 HD12 LEU 29 HD12 LEU 29 -4.661 -2.874 -4.472 257 HD13 LEU 29 HD13 LEU 29 -4.606 -4.579 -4.024 258 HD21 LEU 29 HD21 LEU 29 -6.517 -5.511 -2.512 259 HD22 LEU 29 HD22 LEU 29 -7.629 -4.336 -1.808 260 HD23 LEU 29 HD23 LEU 29 -5.923 -4.319 -1.355 261 H GLU 30 H GLU 30 -7.687 0.181 -0.813 262 HA GLU 30 HA GLU 30 -6.831 2.443 -2.325 263 HB2 GLU 30 HB2 GLU 30 -8.763 2.070 -0.048 264 HB3 GLU 30 HB3 GLU 30 -8.386 3.667 -0.679 265 HG2 GLU 30 HG2 GLU 30 -9.183 3.018 -2.874 266 HG3 GLU 30 HG3 GLU 30 -9.503 1.385 -2.292 267 H TRP 31 H TRP 31 -6.274 1.292 0.951 268 HA TRP 31 HA TRP 31 -4.927 3.672 1.811 269 HB2 TRP 31 HB2 TRP 31 -5.094 0.894 2.991 270 HB3 TRP 31 HB3 TRP 31 -4.255 2.234 3.767 271 HD1 TRP 31 HD1 TRP 31 -6.404 4.522 3.250 272 HE1 TRP 31 HE1 TRP 31 -8.635 4.475 4.534 273 HE3 TRP 31 HE3 TRP 31 -6.513 -0.432 4.507 274 HZ2 TRP 31 HZ2 TRP 31 -10.229 2.588 5.899 275 HZ3 TRP 31 HZ3 TRP 31 -8.426 -1.278 5.803 276 HH2 TRP 31 HH2 TRP 31 -10.244 0.202 6.485 277 H LEU 32 H LEU 32 -4.021 0.765 0.172 278 HA LEU 32 HA LEU 32 -1.250 0.801 0.784 279 HB2 LEU 32 HB2 LEU 32 -2.734 -0.386 -1.555 280 HB3 LEU 32 HB3 LEU 32 -1.036 -0.684 -1.187 281 HG LEU 32 HG LEU 32 -3.284 -1.394 0.689 282 HD11 LEU 32 HD11 LEU 32 -2.609 -2.617 -1.786 283 HD12 LEU 32 HD12 LEU 32 -3.787 -3.136 -0.581 284 HD13 LEU 32 HD13 LEU 32 -2.117 -3.693 -0.478 285 HD21 LEU 32 HD21 LEU 32 -0.351 -1.630 0.706 286 HD22 LEU 32 HD22 LEU 32 -1.231 -3.074 1.206 287 HD23 LEU 32 HD23 LEU 32 -1.494 -1.545 2.046 288 H ASN 33 H ASN 33 -3.228 2.540 -1.461 289 HA ASN 33 HA ASN 33 -0.906 3.480 -2.965 290 HB2 ASN 33 HB2 ASN 33 -2.917 2.824 -4.227 291 HB3 ASN 33 HB3 ASN 33 -3.853 4.044 -3.369 292 HD21 ASN 33 HD21 ASN 33 -3.767 6.128 -4.017 293 HD22 ASN 33 HD22 ASN 33 -2.864 6.680 -5.383 294 H VAL 34 H VAL 34 -3.781 5.058 -1.556 295 HA VAL 34 HA VAL 34 -2.802 7.636 -1.475 296 HB VAL 34 HB VAL 34 -4.441 8.114 0.256 297 HG11 VAL 34 HG11 VAL 34 -6.157 7.915 -1.170 298 HG12 VAL 34 HG12 VAL 34 -4.980 7.165 -2.250 299 HG13 VAL 34 HG13 VAL 34 -6.019 6.159 -1.240 300 HG21 VAL 34 HG21 VAL 34 -4.451 6.505 1.863 301 HG22 VAL 34 HG22 VAL 34 -5.828 5.937 0.918 302 HG23 VAL 34 HG23 VAL 34 -4.245 5.190 0.706 303 H GLY 35 H GLY 35 -2.178 4.972 0.707 304 HA2 GLY 35 HA2 GLY 35 -0.898 6.638 2.694 305 HA3 GLY 35 HA3 GLY 35 -0.981 4.882 2.697 306 HA PRO 36 HA PRO 36 3.263 6.556 1.330 307 HB2 PRO 36 HB2 PRO 36 4.641 6.057 3.615 308 HB3 PRO 36 HB3 PRO 36 3.840 7.600 3.294 309 HG2 PRO 36 HG2 PRO 36 2.905 5.288 4.950 310 HG3 PRO 36 HG3 PRO 36 2.820 7.024 5.303 311 HD2 PRO 36 HD2 PRO 36 0.696 5.619 4.384 312 HD3 PRO 36 HD3 PRO 36 0.955 7.329 3.984 313 H THR 37 H THR 37 2.679 3.886 3.625 314 HA THR 37 HA THR 37 3.724 1.987 1.691 315 HB THR 37 HB THR 37 5.325 0.981 3.247 316 HG1 THR 37 HG1 THR 37 4.937 3.258 4.907 317 HG21 THR 37 HG21 THR 37 5.815 3.935 2.842 318 HG22 THR 37 HG22 THR 37 6.132 2.665 1.660 319 HG23 THR 37 HG23 THR 37 7.048 2.717 3.166 320 H LEU 38 H LEU 38 3.852 -0.277 3.059 321 HA LEU 38 HA LEU 38 1.158 -0.930 3.572 322 HB2 LEU 38 HB2 LEU 38 3.603 -2.491 4.386 323 HB3 LEU 38 HB3 LEU 38 1.969 -3.117 4.178 324 HG LEU 38 HG LEU 38 3.596 -1.962 1.920 325 HD11 LEU 38 HD11 LEU 38 4.899 -3.779 2.387 326 HD12 LEU 38 HD12 LEU 38 3.679 -4.532 1.360 327 HD13 LEU 38 HD13 LEU 38 3.572 -4.687 3.113 328 HD21 LEU 38 HD21 LEU 38 1.748 -3.880 1.053 329 HD22 LEU 38 HD22 LEU 38 1.676 -2.133 0.819 330 HD23 LEU 38 HD23 LEU 38 0.886 -2.870 2.214 331 H GLU 39 H GLU 39 3.854 -0.121 5.677 332 HA GLU 39 HA GLU 39 2.894 -0.936 8.131 333 HB2 GLU 39 HB2 GLU 39 5.133 0.040 7.751 334 HB3 GLU 39 HB3 GLU 39 4.394 1.622 7.546 335 HG2 GLU 39 HG2 GLU 39 3.857 1.810 9.786 336 HG3 GLU 39 HG3 GLU 39 3.944 0.071 10.057 337 H TRP 40 H TRP 40 2.317 2.181 6.514 338 HA TRP 40 HA TRP 40 0.670 3.294 8.483 339 HB2 TRP 40 HB2 TRP 40 1.686 4.548 6.582 340 HB3 TRP 40 HB3 TRP 40 0.522 3.785 5.502 341 HD1 TRP 40 HD1 TRP 40 0.607 6.223 8.499 342 HE1 TRP 40 HE1 TRP 40 -1.468 7.739 8.355 343 HE3 TRP 40 HE3 TRP 40 -1.726 4.028 4.515 344 HZ2 TRP 40 HZ2 TRP 40 -3.788 7.972 6.764 345 HZ3 TRP 40 HZ3 TRP 40 -3.870 4.958 3.745 346 HH2 TRP 40 HH2 TRP 40 -4.878 6.889 4.848 347 H VAL 41 H VAL 41 -0.163 1.405 5.594 348 HA VAL 41 HA VAL 41 -2.941 1.522 5.830 349 HB VAL 41 HB VAL 41 -1.366 -0.833 4.786 350 HG11 VAL 41 HG11 VAL 41 -3.522 -1.582 4.754 351 HG12 VAL 41 HG12 VAL 41 -4.202 0.041 4.618 352 HG13 VAL 41 HG13 VAL 41 -3.485 -0.738 3.206 353 HG21 VAL 41 HG21 VAL 41 -1.685 1.891 3.757 354 HG22 VAL 41 HG22 VAL 41 -0.488 0.659 3.356 355 HG23 VAL 41 HG23 VAL 41 -2.078 0.624 2.595 356 H TRP 42 H TRP 42 -0.661 -0.888 7.110 357 HA TRP 42 HA TRP 42 -2.487 -2.617 8.280 358 HB2 TRP 42 HB2 TRP 42 -0.205 -3.286 8.165 359 HB3 TRP 42 HB3 TRP 42 0.328 -1.872 9.071 360 HD1 TRP 42 HD1 TRP 42 1.201 -2.695 11.327 361 HE1 TRP 42 HE1 TRP 42 0.393 -4.345 13.130 362 HE3 TRP 42 HE3 TRP 42 -2.954 -4.509 8.964 363 HZ2 TRP 42 HZ2 TRP 42 -1.725 -6.174 13.501 364 HZ3 TRP 42 HZ3 TRP 42 -4.316 -6.207 10.111 365 HH2 TRP 42 HH2 TRP 42 -3.712 -7.021 12.332 366 H GLN 43 H GLN 43 -1.385 0.513 9.332 367 HA GLN 43 HA GLN 43 -2.450 0.233 12.001 368 HB2 GLN 43 HB2 GLN 43 -1.302 2.580 10.491 369 HB3 GLN 43 HB3 GLN 43 -1.905 2.696 12.139 370 HG2 GLN 43 HG2 GLN 43 0.172 0.668 11.440 371 HG3 GLN 43 HG3 GLN 43 0.623 2.350 11.716 372 HE21 GLN 43 HE21 GLN 43 0.848 -0.380 13.182 373 HE22 GLN 43 HE22 GLN 43 0.466 0.035 14.814 374 H LYS 44 H LYS 44 -3.552 1.329 8.914 375 HA LYS 44 HA LYS 44 -5.788 2.823 9.978 376 HB2 LYS 44 HB2 LYS 44 -4.716 2.211 7.265 377 HB3 LYS 44 HB3 LYS 44 -6.418 2.634 7.398 378 HG2 LYS 44 HG2 LYS 44 -4.143 4.318 8.425 379 HG3 LYS 44 HG3 LYS 44 -4.974 4.562 6.887 380 HD2 LYS 44 HD2 LYS 44 -7.117 4.717 8.259 381 HD3 LYS 44 HD3 LYS 44 -6.069 4.858 9.672 382 HE2 LYS 44 HE2 LYS 44 -5.677 6.642 7.300 383 HE3 LYS 44 HE3 LYS 44 -6.918 7.008 8.498 384 HZ1 LYS 44 HZ1 LYS 44 -4.209 7.590 8.634 385 HZ2 LYS 44 HZ2 LYS 44 -4.491 6.396 9.797 386 HZ3 LYS 44 HZ3 LYS 44 -5.377 7.836 9.832 387 H LEU 45 H LEU 45 -5.251 -0.285 8.373 388 HA LEU 45 HA LEU 45 -7.973 -1.030 8.209 389 HB2 LEU 45 HB2 LEU 45 -6.513 -2.196 6.809 390 HB3 LEU 45 HB3 LEU 45 -5.386 -2.539 8.120 391 HG LEU 45 HG LEU 45 -7.075 -4.108 9.070 392 HD11 LEU 45 HD11 LEU 45 -8.892 -2.870 7.557 393 HD12 LEU 45 HD12 LEU 45 -9.078 -4.534 8.107 394 HD13 LEU 45 HD13 LEU 45 -8.492 -4.206 6.477 395 HD21 LEU 45 HD21 LEU 45 -6.742 -5.243 6.419 396 HD22 LEU 45 HD22 LEU 45 -6.047 -5.745 7.961 397 HD23 LEU 45 HD23 LEU 45 -5.268 -4.477 7.013 398 H LYS 46 H LYS 46 -5.492 -1.507 10.666 399 HA LYS 46 HA LYS 46 -6.724 -3.354 12.307 400 HB2 LYS 46 HB2 LYS 46 -4.430 -1.979 12.465 401 HB3 LYS 46 HB3 LYS 46 -5.372 -1.066 13.636 402 HG2 LYS 46 HG2 LYS 46 -5.596 -2.880 15.063 403 HG3 LYS 46 HG3 LYS 46 -5.233 -4.049 13.791 404 HD2 LYS 46 HD2 LYS 46 -2.915 -2.848 13.744 405 HD3 LYS 46 HD3 LYS 46 -3.375 -2.310 15.361 406 HE2 LYS 46 HE2 LYS 46 -3.744 -5.183 14.769 407 HE3 LYS 46 HE3 LYS 46 -2.079 -4.612 14.877 408 HZ1 LYS 46 HZ1 LYS 46 -3.748 -5.266 16.968 409 HZ2 LYS 46 HZ2 LYS 46 -3.642 -3.579 17.008 410 HZ3 LYS 46 HZ3 LYS 46 -2.235 -4.516 17.073 411 H LYS 47 H LYS 47 -7.456 0.022 11.851 412 HA LYS 47 HA LYS 47 -9.056 0.363 14.174 413 HB2 LYS 47 HB2 LYS 47 -8.028 2.191 12.739 414 HB3 LYS 47 HB3 LYS 47 -9.325 1.895 11.589 415 HG2 LYS 47 HG2 LYS 47 -10.068 3.704 12.853 416 HG3 LYS 47 HG3 LYS 47 -10.915 2.317 13.541 417 HD2 LYS 47 HD2 LYS 47 -8.813 2.260 15.135 418 HD3 LYS 47 HD3 LYS 47 -8.714 3.965 14.686 419 HE2 LYS 47 HE2 LYS 47 -11.165 2.615 15.814 420 HE3 LYS 47 HE3 LYS 47 -10.017 3.565 16.756 421 HZ1 LYS 47 HZ1 LYS 47 -10.588 5.305 14.855 422 HZ2 LYS 47 HZ2 LYS 47 -11.490 5.189 16.281 423 HZ3 LYS 47 HZ3 LYS 47 -12.048 4.450 14.866 424 H ILE 48 H ILE 48 -10.004 0.042 10.747 425 HA ILE 48 HA ILE 48 -12.747 -0.285 11.246 426 HB ILE 48 HB ILE 48 -11.939 0.307 9.035 427 HG12 ILE 48 HG12 ILE 48 -13.237 -2.418 8.886 428 HG13 ILE 48 HG13 ILE 48 -14.105 -0.954 9.336 429 HG21 ILE 48 HG21 ILE 48 -10.826 -1.350 7.602 430 HG22 ILE 48 HG22 ILE 48 -9.864 -0.946 9.023 431 HG23 ILE 48 HG23 ILE 48 -10.757 -2.466 8.967 432 HD11 ILE 48 HD11 ILE 48 -13.968 -1.913 6.833 433 HD12 ILE 48 HD12 ILE 48 -14.196 -0.207 7.220 434 HD13 ILE 48 HD13 ILE 48 -12.589 -0.814 6.820 435 H ALA 49 H ALA 49 -10.095 -2.565 11.196 436 HA ALA 49 HA ALA 49 -11.707 -4.918 11.139 437 HB1 ALA 49 HB1 ALA 49 -9.330 -4.845 10.430 438 HB2 ALA 49 HB2 ALA 49 -8.871 -4.641 12.120 439 HB3 ALA 49 HB3 ALA 49 -9.678 -6.119 11.599 440 H GLY 50 H GLY 50 -10.452 -2.838 13.662 441 HA2 GLY 50 HA2 GLY 50 -10.962 -2.722 15.900 442 HA3 GLY 50 HA3 GLY 50 -12.291 -3.828 15.580 443 H LEU 51 H LEU 51 -8.795 -4.297 15.180 444 HA LEU 51 HA LEU 51 -8.954 -6.838 16.530 445 HB2 LEU 51 HB2 LEU 51 -6.448 -5.424 15.663 446 HB3 LEU 51 HB3 LEU 51 -6.697 -7.153 15.896 447 HG LEU 51 HG LEU 51 -7.966 -5.517 13.701 448 HD11 LEU 51 HD11 LEU 51 -5.936 -7.551 13.069 449 HD12 LEU 51 HD12 LEU 51 -5.335 -6.084 13.842 450 HD13 LEU 51 HD13 LEU 51 -6.241 -5.977 12.333 451 HD21 LEU 51 HD21 LEU 51 -7.934 -8.454 14.352 452 HD22 LEU 51 HD22 LEU 51 -8.342 -7.832 12.752 453 HD23 LEU 51 HD23 LEU 51 -9.329 -7.394 14.147 Start of MODEL 4 1 H1 MET 1 H MET 1 1.887 -0.298 0.324 2 HA MET 1 HA MET 1 2.825 0.650 -2.195 3 HB2 MET 1 HB2 MET 1 4.269 0.031 -0.224 4 HB3 MET 1 HB3 MET 1 3.930 -1.655 -0.588 5 HG2 MET 1 HG2 MET 1 4.842 -1.149 -2.917 6 HG3 MET 1 HG3 MET 1 5.474 0.334 -2.208 7 HE1 MET 1 HE1 MET 1 8.593 -1.834 -2.682 8 HE2 MET 1 HE2 MET 1 7.257 -2.773 -3.349 9 HE3 MET 1 HE3 MET 1 7.315 -1.026 -3.590 10 H SER 2 H SER 2 1.938 -2.610 -1.049 11 HA SER 2 HA SER 2 0.895 -3.241 -3.690 12 HB2 SER 2 HB2 SER 2 2.760 -5.262 -2.522 13 HB3 SER 2 HB3 SER 2 2.329 -4.975 -4.208 14 HG SER 2 HG SER 2 4.401 -4.234 -3.909 15 H TRP 3 H TRP 3 -0.300 -5.292 -3.715 16 HA TRP 3 HA TRP 3 -1.822 -5.587 -1.287 17 HB2 TRP 3 HB2 TRP 3 -3.040 -5.619 -3.357 18 HB3 TRP 3 HB3 TRP 3 -2.025 -6.909 -3.996 19 HD1 TRP 3 HD1 TRP 3 -3.187 -9.176 -3.956 20 HE1 TRP 3 HE1 TRP 3 -4.975 -10.318 -2.499 21 HE3 TRP 3 HE3 TRP 3 -3.987 -5.432 -0.568 22 HZ2 TRP 3 HZ2 TRP 3 -6.521 -9.712 -0.216 23 HZ3 TRP 3 HZ3 TRP 3 -5.638 -5.793 1.221 24 HH2 TRP 3 HH2 TRP 3 -6.878 -7.889 1.391 25 H LEU 4 H LEU 4 -0.199 -7.971 -3.393 26 HA LEU 4 HA LEU 4 -0.282 -10.123 -1.668 27 HB2 LEU 4 HB2 LEU 4 1.874 -9.402 -3.646 28 HB3 LEU 4 HB3 LEU 4 1.680 -10.987 -2.899 29 HG LEU 4 HG LEU 4 -0.461 -9.732 -4.600 30 HD11 LEU 4 HD11 LEU 4 1.947 -10.205 -5.636 31 HD12 LEU 4 HD12 LEU 4 0.454 -10.511 -6.521 32 HD13 LEU 4 HD13 LEU 4 1.290 -11.840 -5.719 33 HD21 LEU 4 HD21 LEU 4 -0.480 -12.508 -4.787 34 HD22 LEU 4 HD22 LEU 4 -1.598 -11.498 -3.870 35 HD23 LEU 4 HD23 LEU 4 -0.170 -12.172 -3.083 36 H ASN 5 H ASN 5 2.091 -7.514 -1.835 37 HA ASN 5 HA ASN 5 3.923 -8.580 0.022 38 HB2 ASN 5 HB2 ASN 5 3.356 -5.684 -0.656 39 HB3 ASN 5 HB3 ASN 5 4.780 -6.273 0.198 40 HD21 ASN 5 HD21 ASN 5 5.329 -4.854 -1.914 41 HD22 ASN 5 HD22 ASN 5 5.813 -5.826 -3.257 42 H PHE 6 H PHE 6 1.109 -6.474 0.406 43 HA PHE 6 HA PHE 6 1.415 -5.819 3.094 44 HB2 PHE 6 HB2 PHE 6 -0.245 -4.732 1.686 45 HB3 PHE 6 HB3 PHE 6 -1.128 -6.245 1.514 46 HD1 PHE 6 HD2 PHE 6 -0.081 -3.684 3.975 47 HD2 PHE 6 HD1 PHE 6 -2.751 -6.874 3.075 48 HE1 PHE 6 HE2 PHE 6 -1.413 -3.127 5.967 49 HE2 PHE 6 HE1 PHE 6 -4.088 -6.321 5.064 50 HZ PHE 6 HZ PHE 6 -3.419 -4.446 6.514 51 H LEU 7 H LEU 7 -0.760 -8.336 1.800 52 HA LEU 7 HA LEU 7 -1.426 -9.534 4.195 53 HB2 LEU 7 HB2 LEU 7 -1.019 -10.947 1.565 54 HB3 LEU 7 HB3 LEU 7 -2.006 -11.505 2.915 55 HG LEU 7 HG LEU 7 -2.571 -9.018 1.303 56 HD11 LEU 7 HD11 LEU 7 -3.221 -11.848 0.849 57 HD12 LEU 7 HD12 LEU 7 -3.158 -10.497 -0.283 58 HD13 LEU 7 HD13 LEU 7 -4.582 -10.731 0.731 59 HD21 LEU 7 HD21 LEU 7 -3.971 -10.440 3.538 60 HD22 LEU 7 HD22 LEU 7 -4.868 -9.448 2.388 61 HD23 LEU 7 HD23 LEU 7 -3.594 -8.725 3.372 62 H LYS 8 H LYS 8 1.433 -9.997 2.207 63 HA LYS 8 HA LYS 8 2.433 -12.274 3.562 64 HB2 LYS 8 HB2 LYS 8 3.539 -10.258 1.667 65 HB3 LYS 8 HB3 LYS 8 4.682 -11.231 2.583 66 HG2 LYS 8 HG2 LYS 8 3.212 -13.220 1.738 67 HG3 LYS 8 HG3 LYS 8 2.727 -12.064 0.497 68 HD2 LYS 8 HD2 LYS 8 5.049 -11.734 -0.137 69 HD3 LYS 8 HD3 LYS 8 5.575 -12.820 1.152 70 HE2 LYS 8 HE2 LYS 8 3.809 -13.601 -1.166 71 HE3 LYS 8 HE3 LYS 8 5.544 -13.902 -1.069 72 HZ1 LYS 8 HZ1 LYS 8 5.136 -15.235 0.928 73 HZ2 LYS 8 HZ2 LYS 8 4.324 -15.857 -0.419 74 HZ3 LYS 8 HZ3 LYS 8 3.470 -14.992 0.757 75 H TYR 9 H TYR 9 2.713 -8.822 4.109 76 HA TYR 9 HA TYR 9 4.767 -9.058 6.099 77 HB2 TYR 9 HB2 TYR 9 4.647 -6.998 4.884 78 HB3 TYR 9 HB3 TYR 9 2.948 -6.785 5.292 79 HD1 TYR 9 HD1 TYR 9 6.166 -7.328 7.130 80 HD2 TYR 9 HD2 TYR 9 2.512 -5.166 6.864 81 HE1 TYR 9 HE1 TYR 9 6.812 -6.006 9.101 82 HE2 TYR 9 HE2 TYR 9 3.148 -3.837 8.834 83 HH TYR 9 HH TYR 9 6.310 -3.879 10.137 84 H ILE 10 H ILE 10 1.335 -8.094 6.269 85 HA ILE 10 HA ILE 10 1.161 -8.132 9.070 86 HB ILE 10 HB ILE 10 -1.290 -8.264 8.745 87 HG12 ILE 10 HG12 ILE 10 -0.920 -8.134 5.788 88 HG13 ILE 10 HG13 ILE 10 -0.844 -9.713 6.562 89 HG21 ILE 10 HG21 ILE 10 0.475 -6.286 7.475 90 HG22 ILE 10 HG22 ILE 10 -1.210 -6.232 6.960 91 HG23 ILE 10 HG23 ILE 10 -0.805 -6.068 8.668 92 HD11 ILE 10 HD11 ILE 10 -3.088 -8.980 5.655 93 HD12 ILE 10 HD12 ILE 10 -3.058 -9.560 7.321 94 HD13 ILE 10 HD13 ILE 10 -3.137 -7.829 6.991 95 H ALA 11 H ALA 11 1.258 -10.684 6.789 96 HA ALA 11 HA ALA 11 -0.231 -12.695 7.950 97 HB1 ALA 11 HB1 ALA 11 1.997 -14.034 7.064 98 HB2 ALA 11 HB2 ALA 11 0.603 -13.587 6.080 99 HB3 ALA 11 HB3 ALA 11 2.027 -12.548 6.115 100 H LYS 12 H LYS 12 2.821 -11.350 8.974 101 HA LYS 12 HA LYS 12 3.716 -13.384 10.667 102 HB2 LYS 12 HB2 LYS 12 5.051 -11.676 11.763 103 HB3 LYS 12 HB3 LYS 12 5.069 -11.423 10.023 104 HG2 LYS 12 HG2 LYS 12 3.159 -9.760 10.451 105 HG3 LYS 12 HG3 LYS 12 3.669 -9.834 12.139 106 HD2 LYS 12 HD2 LYS 12 6.044 -9.394 11.117 107 HD3 LYS 12 HD3 LYS 12 5.114 -8.755 9.760 108 HE2 LYS 12 HE2 LYS 12 4.091 -7.111 11.114 109 HE3 LYS 12 HE3 LYS 12 4.632 -7.890 12.600 110 HZ1 LYS 12 HZ1 LYS 12 5.868 -5.814 11.478 111 HZ2 LYS 12 HZ2 LYS 12 6.737 -7.084 10.777 112 HZ3 LYS 12 HZ3 LYS 12 6.650 -6.947 12.460 113 H TYR 13 H TYR 13 1.291 -10.902 11.134 114 HA TYR 13 HA TYR 13 1.036 -11.157 13.940 115 HB2 TYR 13 HB2 TYR 13 -0.997 -10.238 11.896 116 HB3 TYR 13 HB3 TYR 13 -1.128 -10.008 13.636 117 HD1 TYR 13 HD2 TYR 13 1.097 -8.868 14.679 118 HD2 TYR 13 HD1 TYR 13 -0.284 -8.421 10.680 119 HE1 TYR 13 HE2 TYR 13 2.331 -6.748 14.496 120 HE2 TYR 13 HE1 TYR 13 0.946 -6.300 10.485 121 HH TYR 13 HH TYR 13 2.774 -4.979 13.228 122 H GLY 14 H GLY 14 -0.237 -12.966 11.249 123 HA2 GLY 14 HA2 GLY 14 -0.755 -15.336 12.055 124 HA3 GLY 14 HA3 GLY 14 -1.921 -14.532 13.095 125 H LYS 15 H LYS 15 -3.426 -16.004 11.975 126 HA LYS 15 HA LYS 15 -4.097 -15.193 9.244 127 HB2 LYS 15 HB2 LYS 15 -5.493 -17.165 9.162 128 HB3 LYS 15 HB3 LYS 15 -3.903 -17.610 9.769 129 HG2 LYS 15 HG2 LYS 15 -4.847 -17.485 12.083 130 HG3 LYS 15 HG3 LYS 15 -6.440 -17.279 11.351 131 HD2 LYS 15 HD2 LYS 15 -4.748 -19.570 10.475 132 HD3 LYS 15 HD3 LYS 15 -5.550 -19.662 12.044 133 HE2 LYS 15 HE2 LYS 15 -7.139 -20.598 10.667 134 HE3 LYS 15 HE3 LYS 15 -7.652 -18.911 10.689 135 HZ1 LYS 15 HZ1 LYS 15 -7.000 -18.585 8.549 136 HZ2 LYS 15 HZ2 LYS 15 -7.398 -20.226 8.453 137 HZ3 LYS 15 HZ3 LYS 15 -5.780 -19.756 8.603 138 H LYS 16 H LYS 16 -4.616 -13.547 11.672 139 HA LYS 16 HA LYS 16 -7.549 -13.495 11.683 140 HB2 LYS 16 HB2 LYS 16 -5.555 -12.106 13.483 141 HB3 LYS 16 HB3 LYS 16 -7.304 -11.986 13.631 142 HG2 LYS 16 HG2 LYS 16 -7.378 -14.448 13.985 143 HG3 LYS 16 HG3 LYS 16 -5.612 -14.445 14.010 144 HD2 LYS 16 HD2 LYS 16 -6.106 -14.307 16.259 145 HD3 LYS 16 HD3 LYS 16 -5.926 -12.603 15.834 146 HE2 LYS 16 HE2 LYS 16 -8.507 -12.790 15.363 147 HE3 LYS 16 HE3 LYS 16 -8.389 -14.163 16.462 148 HZ1 LYS 16 HZ1 LYS 16 -7.747 -12.814 18.210 149 HZ2 LYS 16 HZ2 LYS 16 -8.900 -11.857 17.424 150 HZ3 LYS 16 HZ3 LYS 16 -7.251 -11.545 17.206 151 H ALA 17 H ALA 17 -4.717 -11.552 10.939 152 HA ALA 17 HA ALA 17 -6.263 -9.210 10.273 153 HB1 ALA 17 HB1 ALA 17 -4.061 -8.886 11.174 154 HB2 ALA 17 HB2 ALA 17 -3.345 -9.858 9.888 155 HB3 ALA 17 HB3 ALA 17 -4.084 -8.302 9.510 156 H VAL 18 H VAL 18 -4.999 -11.992 8.622 157 HA VAL 18 HA VAL 18 -4.995 -10.997 5.987 158 HB VAL 18 HB VAL 18 -3.899 -13.108 6.623 159 HG11 VAL 18 HG11 VAL 18 -5.136 -15.111 7.048 160 HG12 VAL 18 HG12 VAL 18 -5.721 -13.867 8.155 161 HG13 VAL 18 HG13 VAL 18 -6.666 -14.295 6.729 162 HG21 VAL 18 HG21 VAL 18 -4.724 -14.463 4.671 163 HG22 VAL 18 HG22 VAL 18 -5.987 -13.251 4.457 164 HG23 VAL 18 HG23 VAL 18 -4.291 -12.794 4.299 165 H SER 19 H SER 19 -7.535 -12.280 8.026 166 HA SER 19 HA SER 19 -9.458 -12.633 5.957 167 HB2 SER 19 HB2 SER 19 -9.475 -13.694 8.284 168 HB3 SER 19 HB3 SER 19 -10.093 -12.149 8.867 169 HG SER 19 HG SER 19 -11.961 -12.922 8.304 170 H ALA 20 H ALA 20 -9.201 -10.174 8.529 171 HA ALA 20 HA ALA 20 -11.241 -8.503 7.715 172 HB1 ALA 20 HB1 ALA 20 -9.668 -6.667 8.733 173 HB2 ALA 20 HB2 ALA 20 -10.380 -7.914 9.757 174 HB3 ALA 20 HB3 ALA 20 -8.707 -8.064 9.219 175 H ALA 21 H ALA 21 -7.967 -8.763 6.470 176 HA ALA 21 HA ALA 21 -7.971 -6.404 4.915 177 HB1 ALA 21 HB1 ALA 21 -6.423 -8.872 4.196 178 HB2 ALA 21 HB2 ALA 21 -5.980 -7.180 3.966 179 HB3 ALA 21 HB3 ALA 21 -5.987 -7.877 5.586 180 H TRP 22 H TRP 22 -8.979 -9.718 4.247 181 HA TRP 22 HA TRP 22 -9.447 -9.312 1.468 182 HB2 TRP 22 HB2 TRP 22 -10.078 -11.448 3.452 183 HB3 TRP 22 HB3 TRP 22 -10.974 -11.435 1.936 184 HD1 TRP 22 HD1 TRP 22 -7.962 -12.869 3.378 185 HE1 TRP 22 HE1 TRP 22 -6.334 -13.672 1.553 186 HE3 TRP 22 HE3 TRP 22 -10.024 -10.494 -0.653 187 HZ2 TRP 22 HZ2 TRP 22 -5.971 -13.341 -1.227 188 HZ3 TRP 22 HZ3 TRP 22 -8.976 -10.789 -2.859 189 HH2 TRP 22 HH2 TRP 22 -6.991 -12.183 -3.138 190 H LYS 23 H LYS 23 -11.573 -9.387 4.314 191 HA LYS 23 HA LYS 23 -13.996 -8.976 2.979 192 HB2 LYS 23 HB2 LYS 23 -13.403 -9.495 5.512 193 HB3 LYS 23 HB3 LYS 23 -13.572 -7.752 5.667 194 HG2 LYS 23 HG2 LYS 23 -15.833 -8.094 4.472 195 HG3 LYS 23 HG3 LYS 23 -15.633 -9.788 4.928 196 HD2 LYS 23 HD2 LYS 23 -15.114 -8.704 7.291 197 HD3 LYS 23 HD3 LYS 23 -16.099 -7.395 6.633 198 HE2 LYS 23 HE2 LYS 23 -17.021 -10.248 6.530 199 HE3 LYS 23 HE3 LYS 23 -17.267 -9.259 7.969 200 HZ1 LYS 23 HZ1 LYS 23 -18.529 -9.071 5.348 201 HZ2 LYS 23 HZ2 LYS 23 -18.207 -7.612 6.140 202 HZ3 LYS 23 HZ3 LYS 23 -19.176 -8.782 6.885 203 H TYR 24 H TYR 24 -11.737 -6.628 4.395 204 HA TYR 24 HA TYR 24 -13.260 -4.452 3.156 205 HB2 TYR 24 HB2 TYR 24 -10.941 -4.230 5.080 206 HB3 TYR 24 HB3 TYR 24 -12.059 -2.955 4.608 207 HD1 TYR 24 HD1 TYR 24 -14.652 -4.356 4.827 208 HD2 TYR 24 HD2 TYR 24 -11.252 -4.447 7.382 209 HE1 TYR 24 HE1 TYR 24 -16.105 -4.922 6.729 210 HE2 TYR 24 HE2 TYR 24 -12.695 -5.014 9.292 211 HH TYR 24 HH TYR 24 -15.205 -6.251 9.398 212 H LYS 25 H LYS 25 -11.495 -6.345 1.698 213 HA LYS 25 HA LYS 25 -9.043 -5.289 0.989 214 HB2 LYS 25 HB2 LYS 25 -9.868 -7.485 0.242 215 HB3 LYS 25 HB3 LYS 25 -11.022 -6.689 -0.819 216 HG2 LYS 25 HG2 LYS 25 -9.279 -5.818 -2.189 217 HG3 LYS 25 HG3 LYS 25 -8.043 -6.344 -1.044 218 HD2 LYS 25 HD2 LYS 25 -8.200 -8.542 -1.673 219 HD3 LYS 25 HD3 LYS 25 -9.886 -8.390 -2.175 220 HE2 LYS 25 HE2 LYS 25 -7.760 -6.933 -3.683 221 HE3 LYS 25 HE3 LYS 25 -7.988 -8.659 -3.956 222 HZ1 LYS 25 HZ1 LYS 25 -9.305 -7.501 -5.529 223 HZ2 LYS 25 HZ2 LYS 25 -9.980 -6.498 -4.347 224 HZ3 LYS 25 HZ3 LYS 25 -10.374 -8.143 -4.386 225 H GLY 26 H GLY 26 -12.254 -4.465 -0.250 226 HA2 GLY 26 HA2 GLY 26 -11.498 -2.793 -2.350 227 HA3 GLY 26 HA3 GLY 26 -12.995 -2.649 -1.441 228 H LYS 27 H LYS 27 -11.308 -2.266 1.057 229 HA LYS 27 HA LYS 27 -10.864 0.608 0.651 230 HB2 LYS 27 HB2 LYS 27 -11.076 -0.812 3.301 231 HB3 LYS 27 HB3 LYS 27 -11.253 0.908 2.977 232 HG2 LYS 27 HG2 LYS 27 -13.306 0.378 1.667 233 HG3 LYS 27 HG3 LYS 27 -13.154 -1.295 2.209 234 HD2 LYS 27 HD2 LYS 27 -13.633 -0.759 4.413 235 HD3 LYS 27 HD3 LYS 27 -13.171 0.933 4.207 236 HE2 LYS 27 HE2 LYS 27 -15.619 0.585 4.437 237 HE3 LYS 27 HE3 LYS 27 -15.155 1.379 2.933 238 HZ1 LYS 27 HZ1 LYS 27 -15.485 -0.615 1.731 239 HZ2 LYS 27 HZ2 LYS 27 -16.852 -0.420 2.709 240 HZ3 LYS 27 HZ3 LYS 27 -15.656 -1.536 3.140 241 H VAL 28 H VAL 28 -9.288 -2.357 1.498 242 HA VAL 28 HA VAL 28 -6.990 -1.260 2.747 243 HB VAL 28 HB VAL 28 -7.189 -3.875 1.248 244 HG11 VAL 28 HG11 VAL 28 -5.375 -4.566 2.778 245 HG12 VAL 28 HG12 VAL 28 -4.903 -3.243 1.709 246 HG13 VAL 28 HG13 VAL 28 -5.302 -2.916 3.396 247 HG21 VAL 28 HG21 VAL 28 -7.345 -4.379 3.975 248 HG22 VAL 28 HG22 VAL 28 -8.419 -3.004 3.718 249 HG23 VAL 28 HG23 VAL 28 -8.659 -4.493 2.804 250 H LEU 29 H LEU 29 -7.523 -2.473 -0.564 251 HA LEU 29 HA LEU 29 -5.026 -1.902 -1.614 252 HB2 LEU 29 HB2 LEU 29 -7.761 -2.135 -2.761 253 HB3 LEU 29 HB3 LEU 29 -6.474 -1.501 -3.784 254 HG LEU 29 HG LEU 29 -6.834 -3.896 -4.137 255 HD11 LEU 29 HD11 LEU 29 -4.201 -3.624 -2.742 256 HD12 LEU 29 HD12 LEU 29 -4.539 -2.721 -4.218 257 HD13 LEU 29 HD13 LEU 29 -4.594 -4.484 -4.231 258 HD21 LEU 29 HD21 LEU 29 -6.353 -5.513 -2.419 259 HD22 LEU 29 HD22 LEU 29 -7.602 -4.411 -1.840 260 HD23 LEU 29 HD23 LEU 29 -5.940 -4.234 -1.277 261 H GLU 30 H GLU 30 -7.656 0.239 -0.861 262 HA GLU 30 HA GLU 30 -6.725 2.444 -2.426 263 HB2 GLU 30 HB2 GLU 30 -8.801 2.064 -0.308 264 HB3 GLU 30 HB3 GLU 30 -8.299 3.696 -0.728 265 HG2 GLU 30 HG2 GLU 30 -9.201 1.732 -2.805 266 HG3 GLU 30 HG3 GLU 30 -10.337 2.743 -1.913 267 H TRP 31 H TRP 31 -6.185 1.284 0.825 268 HA TRP 31 HA TRP 31 -4.887 3.690 1.721 269 HB2 TRP 31 HB2 TRP 31 -5.220 0.933 2.887 270 HB3 TRP 31 HB3 TRP 31 -4.187 2.137 3.653 271 HD1 TRP 31 HD1 TRP 31 -6.049 4.689 3.259 272 HE1 TRP 31 HE1 TRP 31 -8.214 4.896 4.635 273 HE3 TRP 31 HE3 TRP 31 -6.731 -0.237 4.444 274 HZ2 TRP 31 HZ2 TRP 31 -9.978 3.196 6.038 275 HZ3 TRP 31 HZ3 TRP 31 -8.682 -0.862 5.807 276 HH2 TRP 31 HH2 TRP 31 -10.270 0.820 6.587 277 H LEU 32 H LEU 32 -3.951 0.791 0.094 278 HA LEU 32 HA LEU 32 -1.181 0.865 0.760 279 HB2 LEU 32 HB2 LEU 32 -2.566 -0.413 -1.594 280 HB3 LEU 32 HB3 LEU 32 -0.911 -0.729 -1.077 281 HG LEU 32 HG LEU 32 -3.289 -1.293 0.678 282 HD11 LEU 32 HD11 LEU 32 -2.729 -2.568 -1.739 283 HD12 LEU 32 HD12 LEU 32 -3.782 -3.141 -0.446 284 HD13 LEU 32 HD13 LEU 32 -2.089 -3.634 -0.488 285 HD21 LEU 32 HD21 LEU 32 -0.395 -1.575 0.882 286 HD22 LEU 32 HD22 LEU 32 -1.269 -3.064 1.244 287 HD23 LEU 32 HD23 LEU 32 -1.628 -1.588 2.142 288 H ASN 33 H ASN 33 -3.164 2.496 -1.556 289 HA ASN 33 HA ASN 33 -0.860 3.385 -3.111 290 HB2 ASN 33 HB2 ASN 33 -2.784 2.772 -4.417 291 HB3 ASN 33 HB3 ASN 33 -3.833 3.811 -3.456 292 HD21 ASN 33 HD21 ASN 33 -4.479 5.418 -4.689 293 HD22 ASN 33 HD22 ASN 33 -3.477 6.371 -5.726 294 H VAL 34 H VAL 34 -3.614 4.906 -1.426 295 HA VAL 34 HA VAL 34 -2.558 7.519 -1.498 296 HB VAL 34 HB VAL 34 -4.250 8.109 0.125 297 HG11 VAL 34 HG11 VAL 34 -6.143 7.617 -1.141 298 HG12 VAL 34 HG12 VAL 34 -4.821 7.462 -2.300 299 HG13 VAL 34 HG13 VAL 34 -5.546 6.020 -1.589 300 HG21 VAL 34 HG21 VAL 34 -4.498 6.639 1.806 301 HG22 VAL 34 HG22 VAL 34 -5.705 5.900 0.754 302 HG23 VAL 34 HG23 VAL 34 -4.063 5.258 0.798 303 H GLY 35 H GLY 35 -2.117 4.847 0.711 304 HA2 GLY 35 HA2 GLY 35 -0.877 6.461 2.760 305 HA3 GLY 35 HA3 GLY 35 -0.991 4.707 2.736 306 HA PRO 36 HA PRO 36 3.333 6.321 1.564 307 HB2 PRO 36 HB2 PRO 36 4.609 5.765 3.895 308 HB3 PRO 36 HB3 PRO 36 3.849 7.326 3.565 309 HG2 PRO 36 HG2 PRO 36 2.806 5.009 5.147 310 HG3 PRO 36 HG3 PRO 36 2.739 6.741 5.522 311 HD2 PRO 36 HD2 PRO 36 0.628 5.389 4.498 312 HD3 PRO 36 HD3 PRO 36 0.934 7.099 4.135 313 H THR 37 H THR 37 2.607 3.630 3.792 314 HA THR 37 HA THR 37 3.582 1.705 1.877 315 HB THR 37 HB THR 37 5.120 0.715 3.755 316 HG1 THR 37 HG1 THR 37 5.061 3.495 4.389 317 HG21 THR 37 HG21 THR 37 6.190 3.142 2.347 318 HG22 THR 37 HG22 THR 37 5.716 1.700 1.449 319 HG23 THR 37 HG23 THR 37 6.989 1.603 2.665 320 H LEU 38 H LEU 38 3.653 -0.561 3.070 321 HA LEU 38 HA LEU 38 1.049 -1.173 3.833 322 HB2 LEU 38 HB2 LEU 38 3.493 -2.753 4.600 323 HB3 LEU 38 HB3 LEU 38 1.850 -3.354 4.385 324 HG LEU 38 HG LEU 38 3.617 -2.296 2.180 325 HD11 LEU 38 HD11 LEU 38 4.624 -4.290 2.506 326 HD12 LEU 38 HD12 LEU 38 3.240 -4.881 1.586 327 HD13 LEU 38 HD13 LEU 38 3.235 -4.980 3.347 328 HD21 LEU 38 HD21 LEU 38 1.592 -3.849 1.112 329 HD22 LEU 38 HD22 LEU 38 1.694 -2.089 1.075 330 HD23 LEU 38 HD23 LEU 38 0.785 -2.893 2.356 331 H GLU 39 H GLU 39 3.869 -0.386 5.788 332 HA GLU 39 HA GLU 39 3.001 -1.128 8.300 333 HB2 GLU 39 HB2 GLU 39 5.247 -0.254 7.845 334 HB3 GLU 39 HB3 GLU 39 4.574 1.344 7.557 335 HG2 GLU 39 HG2 GLU 39 3.688 1.227 9.936 336 HG3 GLU 39 HG3 GLU 39 4.751 -0.164 10.142 337 H TRP 40 H TRP 40 1.987 1.558 6.326 338 HA TRP 40 HA TRP 40 0.566 2.868 8.475 339 HB2 TRP 40 HB2 TRP 40 1.611 4.115 6.570 340 HB3 TRP 40 HB3 TRP 40 0.400 3.408 5.504 341 HD1 TRP 40 HD1 TRP 40 0.588 5.741 8.588 342 HE1 TRP 40 HE1 TRP 40 -1.424 7.343 8.496 343 HE3 TRP 40 HE3 TRP 40 -1.802 3.809 4.503 344 HZ2 TRP 40 HZ2 TRP 40 -3.720 7.736 6.903 345 HZ3 TRP 40 HZ3 TRP 40 -3.901 4.856 3.760 346 HH2 TRP 40 HH2 TRP 40 -4.839 6.779 4.937 347 H VAL 41 H VAL 41 -0.365 1.233 5.446 348 HA VAL 41 HA VAL 41 -3.108 1.318 5.723 349 HB VAL 41 HB VAL 41 -1.540 -1.009 4.605 350 HG11 VAL 41 HG11 VAL 41 -3.747 -1.728 4.732 351 HG12 VAL 41 HG12 VAL 41 -4.393 -0.125 4.375 352 HG13 VAL 41 HG13 VAL 41 -3.634 -1.076 3.098 353 HG21 VAL 41 HG21 VAL 41 -2.124 1.707 3.554 354 HG22 VAL 41 HG22 VAL 41 -0.703 0.688 3.326 355 HG23 VAL 41 HG23 VAL 41 -2.182 0.352 2.426 356 H TRP 42 H TRP 42 -0.804 -0.876 7.222 357 HA TRP 42 HA TRP 42 -2.580 -2.785 8.220 358 HB2 TRP 42 HB2 TRP 42 -0.239 -3.237 8.316 359 HB3 TRP 42 HB3 TRP 42 0.070 -1.786 9.266 360 HD1 TRP 42 HD1 TRP 42 0.859 -2.618 11.558 361 HE1 TRP 42 HE1 TRP 42 0.005 -4.317 13.293 362 HE3 TRP 42 HE3 TRP 42 -3.029 -4.605 8.900 363 HZ2 TRP 42 HZ2 TRP 42 -2.046 -6.244 13.506 364 HZ3 TRP 42 HZ3 TRP 42 -4.388 -6.373 9.941 365 HH2 TRP 42 HH2 TRP 42 -3.905 -7.174 12.196 366 H GLN 43 H GLN 43 -1.141 -0.071 10.042 367 HA GLN 43 HA GLN 43 -2.695 -0.293 12.319 368 HB2 GLN 43 HB2 GLN 43 -1.560 2.206 11.055 369 HB3 GLN 43 HB3 GLN 43 -2.183 2.110 12.697 370 HG2 GLN 43 HG2 GLN 43 0.140 0.523 11.627 371 HG3 GLN 43 HG3 GLN 43 0.264 1.988 12.600 372 HE21 GLN 43 HE21 GLN 43 0.989 -0.950 12.969 373 HE22 GLN 43 HE22 GLN 43 0.366 -1.330 14.535 374 H LYS 44 H LYS 44 -3.339 1.580 9.376 375 HA LYS 44 HA LYS 44 -5.702 2.817 10.209 376 HB2 LYS 44 HB2 LYS 44 -4.478 2.150 7.579 377 HB3 LYS 44 HB3 LYS 44 -6.179 2.594 7.591 378 HG2 LYS 44 HG2 LYS 44 -3.994 4.274 8.797 379 HG3 LYS 44 HG3 LYS 44 -4.621 4.482 7.160 380 HD2 LYS 44 HD2 LYS 44 -6.933 4.592 8.387 381 HD3 LYS 44 HD3 LYS 44 -5.942 5.012 9.786 382 HE2 LYS 44 HE2 LYS 44 -4.917 6.831 8.446 383 HE3 LYS 44 HE3 LYS 44 -6.028 6.446 7.133 384 HZ1 LYS 44 HZ1 LYS 44 -7.838 6.816 8.873 385 HZ2 LYS 44 HZ2 LYS 44 -7.053 8.181 8.258 386 HZ3 LYS 44 HZ3 LYS 44 -6.641 7.586 9.787 387 H LEU 45 H LEU 45 -5.341 -0.143 8.248 388 HA LEU 45 HA LEU 45 -8.059 -0.816 8.203 389 HB2 LEU 45 HB2 LEU 45 -6.700 -1.891 6.639 390 HB3 LEU 45 HB3 LEU 45 -5.534 -2.393 7.862 391 HG LEU 45 HG LEU 45 -7.241 -3.988 8.736 392 HD11 LEU 45 HD11 LEU 45 -9.048 -2.542 7.356 393 HD12 LEU 45 HD12 LEU 45 -9.304 -4.211 7.865 394 HD13 LEU 45 HD13 LEU 45 -8.767 -3.864 6.222 395 HD21 LEU 45 HD21 LEU 45 -7.059 -4.899 5.992 396 HD22 LEU 45 HD22 LEU 45 -6.295 -5.539 7.448 397 HD23 LEU 45 HD23 LEU 45 -5.537 -4.214 6.563 398 H LYS 46 H LYS 46 -5.618 -1.266 10.630 399 HA LYS 46 HA LYS 46 -6.837 -3.330 12.114 400 HB2 LYS 46 HB2 LYS 46 -4.459 -2.130 12.277 401 HB3 LYS 46 HB3 LYS 46 -5.289 -1.219 13.533 402 HG2 LYS 46 HG2 LYS 46 -5.926 -3.440 14.550 403 HG3 LYS 46 HG3 LYS 46 -4.795 -4.180 13.415 404 HD2 LYS 46 HD2 LYS 46 -3.199 -2.288 14.412 405 HD3 LYS 46 HD3 LYS 46 -4.275 -2.491 15.796 406 HE2 LYS 46 HE2 LYS 46 -3.796 -5.062 15.251 407 HE3 LYS 46 HE3 LYS 46 -2.305 -4.365 14.620 408 HZ1 LYS 46 HZ1 LYS 46 -1.721 -4.697 16.779 409 HZ2 LYS 46 HZ2 LYS 46 -3.288 -4.470 17.375 410 HZ3 LYS 46 HZ3 LYS 46 -2.355 -3.135 16.919 411 H LYS 47 H LYS 47 -7.495 0.055 11.848 412 HA LYS 47 HA LYS 47 -8.969 0.287 14.295 413 HB2 LYS 47 HB2 LYS 47 -7.877 2.216 13.163 414 HB3 LYS 47 HB3 LYS 47 -9.041 2.069 11.853 415 HG2 LYS 47 HG2 LYS 47 -10.753 2.927 13.087 416 HG3 LYS 47 HG3 LYS 47 -10.083 2.358 14.618 417 HD2 LYS 47 HD2 LYS 47 -8.712 4.505 13.036 418 HD3 LYS 47 HD3 LYS 47 -10.054 4.890 14.117 419 HE2 LYS 47 HE2 LYS 47 -7.639 3.331 15.006 420 HE3 LYS 47 HE3 LYS 47 -7.719 5.090 15.089 421 HZ1 LYS 47 HZ1 LYS 47 -8.828 4.923 16.980 422 HZ2 LYS 47 HZ2 LYS 47 -8.721 3.237 16.917 423 HZ3 LYS 47 HZ3 LYS 47 -10.050 4.026 16.230 424 H ILE 48 H ILE 48 -9.930 0.222 10.860 425 HA ILE 48 HA ILE 48 -12.690 0.165 11.280 426 HB ILE 48 HB ILE 48 -11.771 0.619 9.085 427 HG12 ILE 48 HG12 ILE 48 -13.337 -1.965 8.965 428 HG13 ILE 48 HG13 ILE 48 -14.058 -0.400 9.326 429 HG21 ILE 48 HG21 ILE 48 -10.778 -1.160 7.719 430 HG22 ILE 48 HG22 ILE 48 -9.831 -0.840 9.171 431 HG23 ILE 48 HG23 ILE 48 -10.874 -2.260 9.094 432 HD11 ILE 48 HD11 ILE 48 -13.872 -1.498 6.856 433 HD12 ILE 48 HD12 ILE 48 -14.052 0.226 7.183 434 HD13 ILE 48 HD13 ILE 48 -12.452 -0.453 6.883 435 H ALA 49 H ALA 49 -10.308 -2.406 11.305 436 HA ALA 49 HA ALA 49 -12.291 -4.504 11.407 437 HB1 ALA 49 HB1 ALA 49 -9.800 -5.524 12.215 438 HB2 ALA 49 HB2 ALA 49 -10.571 -5.674 10.635 439 HB3 ALA 49 HB3 ALA 49 -9.469 -4.335 10.955 440 H GLY 50 H GLY 50 -9.935 -3.079 13.665 441 HA2 GLY 50 HA2 GLY 50 -10.245 -2.736 15.957 442 HA3 GLY 50 HA3 GLY 50 -11.708 -3.707 15.881 443 H LEU 51 H LEU 51 -8.628 -4.780 14.606 444 HA LEU 51 HA LEU 51 -8.724 -7.209 16.053 445 HB2 LEU 51 HB2 LEU 51 -6.258 -6.047 14.795 446 HB3 LEU 51 HB3 LEU 51 -6.669 -7.745 15.026 447 HG LEU 51 HG LEU 51 -8.033 -5.865 13.099 448 HD11 LEU 51 HD11 LEU 51 -5.881 -7.927 12.751 449 HD12 LEU 51 HD12 LEU 51 -5.897 -6.247 12.217 450 HD13 LEU 51 HD13 LEU 51 -6.930 -7.435 11.422 451 HD21 LEU 51 HD21 LEU 51 -8.449 -8.736 13.837 452 HD22 LEU 51 HD22 LEU 51 -8.848 -8.155 12.221 453 HD23 LEU 51 HD23 LEU 51 -9.639 -7.451 13.632 Start of MODEL 5 1 H1 MET 1 H MET 1 3.732 -1.116 0.571 2 HA MET 1 HA MET 1 5.031 -0.990 -1.842 3 HB2 MET 1 HB2 MET 1 5.494 -2.387 0.345 4 HB3 MET 1 HB3 MET 1 4.690 -3.666 -0.554 5 HG2 MET 1 HG2 MET 1 6.320 -3.540 -2.307 6 HG3 MET 1 HG3 MET 1 7.068 -2.128 -1.563 7 HE1 MET 1 HE1 MET 1 10.012 -4.194 -0.601 8 HE2 MET 1 HE2 MET 1 9.275 -3.313 -1.939 9 HE3 MET 1 HE3 MET 1 9.415 -2.552 -0.353 10 H SER 2 H SER 2 2.594 -3.459 -0.996 11 HA SER 2 HA SER 2 1.204 -3.268 -3.439 12 HB2 SER 2 HB2 SER 2 2.028 -4.985 -4.746 13 HB3 SER 2 HB3 SER 2 3.521 -4.412 -4.003 14 HG SER 2 HG SER 2 2.172 -6.790 -3.659 15 H TRP 3 H TRP 3 -0.303 -5.185 -3.742 16 HA TRP 3 HA TRP 3 -1.684 -5.653 -1.331 17 HB2 TRP 3 HB2 TRP 3 -2.902 -5.632 -3.402 18 HB3 TRP 3 HB3 TRP 3 -1.924 -6.944 -4.053 19 HD1 TRP 3 HD1 TRP 3 -3.127 -9.190 -4.013 20 HE1 TRP 3 HE1 TRP 3 -4.956 -10.289 -2.574 21 HE3 TRP 3 HE3 TRP 3 -3.873 -5.426 -0.635 22 HZ2 TRP 3 HZ2 TRP 3 -6.509 -9.646 -0.306 23 HZ3 TRP 3 HZ3 TRP 3 -5.549 -5.747 1.138 24 HH2 TRP 3 HH2 TRP 3 -6.839 -7.814 1.297 25 H LEU 4 H LEU 4 -0.143 -8.069 -3.462 26 HA LEU 4 HA LEU 4 -0.279 -10.228 -1.750 27 HB2 LEU 4 HB2 LEU 4 1.953 -9.604 -3.678 28 HB3 LEU 4 HB3 LEU 4 1.562 -11.191 -3.020 29 HG LEU 4 HG LEU 4 -0.286 -9.599 -4.793 30 HD11 LEU 4 HD11 LEU 4 1.322 -11.982 -5.644 31 HD12 LEU 4 HD12 LEU 4 1.940 -10.340 -5.816 32 HD13 LEU 4 HD13 LEU 4 0.456 -10.814 -6.642 33 HD21 LEU 4 HD21 LEU 4 -1.762 -11.089 -4.034 34 HD22 LEU 4 HD22 LEU 4 -0.509 -12.075 -3.279 35 HD23 LEU 4 HD23 LEU 4 -0.880 -12.279 -4.991 36 H ASN 5 H ASN 5 1.942 -7.538 -1.729 37 HA ASN 5 HA ASN 5 3.827 -8.721 0.066 38 HB2 ASN 5 HB2 ASN 5 3.365 -5.972 -1.028 39 HB3 ASN 5 HB3 ASN 5 4.437 -6.178 0.355 40 HD21 ASN 5 HD21 ASN 5 5.205 -5.229 -2.188 41 HD22 ASN 5 HD22 ASN 5 6.330 -6.356 -2.858 42 H PHE 6 H PHE 6 1.170 -6.396 0.426 43 HA PHE 6 HA PHE 6 1.444 -5.782 3.105 44 HB2 PHE 6 HB2 PHE 6 -0.165 -4.628 1.715 45 HB3 PHE 6 HB3 PHE 6 -1.083 -6.111 1.477 46 HD1 PHE 6 HD1 PHE 6 -0.176 -3.497 3.898 47 HD2 PHE 6 HD2 PHE 6 -2.629 -6.885 3.112 48 HE1 PHE 6 HE1 PHE 6 -1.551 -2.954 5.865 49 HE2 PHE 6 HE2 PHE 6 -4.008 -6.347 5.077 50 HZ PHE 6 HZ PHE 6 -3.470 -4.379 6.456 51 H LEU 7 H LEU 7 -0.763 -8.263 1.794 52 HA LEU 7 HA LEU 7 -1.534 -9.405 4.183 53 HB2 LEU 7 HB2 LEU 7 -1.077 -10.815 1.558 54 HB3 LEU 7 HB3 LEU 7 -2.045 -11.425 2.899 55 HG LEU 7 HG LEU 7 -2.677 -8.929 1.326 56 HD11 LEU 7 HD11 LEU 7 -3.263 -11.765 0.846 57 HD12 LEU 7 HD12 LEU 7 -3.256 -10.399 -0.269 58 HD13 LEU 7 HD13 LEU 7 -4.657 -10.687 0.763 59 HD21 LEU 7 HD21 LEU 7 -4.124 -10.448 3.483 60 HD22 LEU 7 HD22 LEU 7 -4.923 -9.288 2.421 61 HD23 LEU 7 HD23 LEU 7 -3.623 -8.757 3.489 62 H LYS 8 H LYS 8 1.364 -10.007 2.276 63 HA LYS 8 HA LYS 8 2.272 -12.248 3.752 64 HB2 LYS 8 HB2 LYS 8 3.543 -10.317 1.848 65 HB3 LYS 8 HB3 LYS 8 4.557 -11.428 2.759 66 HG2 LYS 8 HG2 LYS 8 2.223 -12.411 1.161 67 HG3 LYS 8 HG3 LYS 8 3.796 -12.119 0.416 68 HD2 LYS 8 HD2 LYS 8 4.848 -13.717 1.856 69 HD3 LYS 8 HD3 LYS 8 3.379 -13.890 2.820 70 HE2 LYS 8 HE2 LYS 8 3.184 -15.737 1.494 71 HE3 LYS 8 HE3 LYS 8 2.351 -14.560 0.479 72 HZ1 LYS 8 HZ1 LYS 8 5.212 -14.727 0.071 73 HZ2 LYS 8 HZ2 LYS 8 3.960 -14.628 -1.062 74 HZ3 LYS 8 HZ3 LYS 8 4.352 -16.118 -0.363 75 H TYR 9 H TYR 9 2.655 -8.784 4.136 76 HA TYR 9 HA TYR 9 4.682 -8.959 6.147 77 HB2 TYR 9 HB2 TYR 9 4.544 -6.942 4.850 78 HB3 TYR 9 HB3 TYR 9 2.857 -6.708 5.292 79 HD1 TYR 9 HD1 TYR 9 6.164 -7.134 6.994 80 HD2 TYR 9 HD2 TYR 9 2.419 -5.117 6.897 81 HE1 TYR 9 HE1 TYR 9 6.864 -5.755 8.906 82 HE2 TYR 9 HE2 TYR 9 3.109 -3.731 8.808 83 HH TYR 9 HH TYR 9 5.969 -4.409 10.631 84 H ILE 10 H ILE 10 1.203 -8.199 6.230 85 HA ILE 10 HA ILE 10 1.064 -8.114 9.069 86 HB ILE 10 HB ILE 10 -1.390 -8.185 8.751 87 HG12 ILE 10 HG12 ILE 10 -1.027 -8.060 5.792 88 HG13 ILE 10 HG13 ILE 10 -0.983 -9.642 6.563 89 HG21 ILE 10 HG21 ILE 10 0.429 -6.247 7.515 90 HG22 ILE 10 HG22 ILE 10 -1.236 -6.160 6.941 91 HG23 ILE 10 HG23 ILE 10 -0.888 -6.000 8.662 92 HD11 ILE 10 HD11 ILE 10 -3.215 -8.817 5.660 93 HD12 ILE 10 HD12 ILE 10 -3.189 -9.468 7.299 94 HD13 ILE 10 HD13 ILE 10 -3.231 -7.723 7.043 95 H ALA 11 H ALA 11 1.094 -10.666 6.789 96 HA ALA 11 HA ALA 11 -0.442 -12.641 7.950 97 HB1 ALA 11 HB1 ALA 11 1.801 -13.999 7.063 98 HB2 ALA 11 HB2 ALA 11 0.369 -13.603 6.113 99 HB3 ALA 11 HB3 ALA 11 1.771 -12.534 6.081 100 H LYS 12 H LYS 12 2.641 -11.370 8.974 101 HA LYS 12 HA LYS 12 3.498 -13.421 10.661 102 HB2 LYS 12 HB2 LYS 12 4.938 -11.820 11.671 103 HB3 LYS 12 HB3 LYS 12 4.791 -11.362 9.979 104 HG2 LYS 12 HG2 LYS 12 3.113 -9.671 10.614 105 HG3 LYS 12 HG3 LYS 12 3.361 -10.098 12.309 106 HD2 LYS 12 HD2 LYS 12 5.600 -9.324 12.271 107 HD3 LYS 12 HD3 LYS 12 5.603 -9.204 10.510 108 HE2 LYS 12 HE2 LYS 12 3.918 -7.536 12.376 109 HE3 LYS 12 HE3 LYS 12 5.410 -7.006 11.602 110 HZ1 LYS 12 HZ1 LYS 12 4.331 -7.382 9.441 111 HZ2 LYS 12 HZ2 LYS 12 3.534 -6.210 10.363 112 HZ3 LYS 12 HZ3 LYS 12 2.887 -7.768 10.234 113 H TYR 13 H TYR 13 1.099 -10.917 11.132 114 HA TYR 13 HA TYR 13 0.837 -11.181 13.938 115 HB2 TYR 13 HB2 TYR 13 -1.161 -10.213 11.883 116 HB3 TYR 13 HB3 TYR 13 -1.327 -10.016 13.624 117 HD1 TYR 13 HD2 TYR 13 0.867 -8.906 14.744 118 HD2 TYR 13 HD1 TYR 13 -0.386 -8.392 10.710 119 HE1 TYR 13 HE2 TYR 13 2.125 -6.796 14.628 120 HE2 TYR 13 HE1 TYR 13 0.869 -6.280 10.583 121 HH TYR 13 HH TYR 13 2.314 -4.829 13.403 122 H GLY 14 H GLY 14 -0.339 -13.034 11.263 123 HA2 GLY 14 HA2 GLY 14 -0.927 -15.372 12.025 124 HA3 GLY 14 HA3 GLY 14 -2.072 -14.573 13.093 125 H LYS 15 H LYS 15 -3.523 -16.112 11.896 126 HA LYS 15 HA LYS 15 -4.266 -15.181 9.227 127 HB2 LYS 15 HB2 LYS 15 -5.189 -17.567 10.838 128 HB3 LYS 15 HB3 LYS 15 -5.757 -17.177 9.219 129 HG2 LYS 15 HG2 LYS 15 -3.573 -17.521 8.301 130 HG3 LYS 15 HG3 LYS 15 -2.877 -17.713 9.912 131 HD2 LYS 15 HD2 LYS 15 -3.115 -19.903 9.120 132 HD3 LYS 15 HD3 LYS 15 -4.509 -19.670 10.178 133 HE2 LYS 15 HE2 LYS 15 -5.240 -20.758 8.166 134 HE3 LYS 15 HE3 LYS 15 -5.866 -19.110 8.177 135 HZ1 LYS 15 HZ1 LYS 15 -4.989 -18.941 6.156 136 HZ2 LYS 15 HZ2 LYS 15 -4.092 -20.366 6.319 137 HZ3 LYS 15 HZ3 LYS 15 -3.469 -18.903 6.897 138 H LYS 16 H LYS 16 -4.797 -13.688 11.766 139 HA LYS 16 HA LYS 16 -7.735 -13.672 11.741 140 HB2 LYS 16 HB2 LYS 16 -5.821 -12.419 13.718 141 HB3 LYS 16 HB3 LYS 16 -7.575 -12.415 13.844 142 HG2 LYS 16 HG2 LYS 16 -7.112 -14.161 15.216 143 HG3 LYS 16 HG3 LYS 16 -7.230 -15.033 13.685 144 HD2 LYS 16 HD2 LYS 16 -4.884 -15.162 13.465 145 HD3 LYS 16 HD3 LYS 16 -4.622 -13.956 14.727 146 HE2 LYS 16 HE2 LYS 16 -5.300 -15.464 16.427 147 HE3 LYS 16 HE3 LYS 16 -5.932 -16.614 15.251 148 HZ1 LYS 16 HZ1 LYS 16 -3.122 -16.016 15.919 149 HZ2 LYS 16 HZ2 LYS 16 -3.522 -16.707 14.428 150 HZ3 LYS 16 HZ3 LYS 16 -3.905 -17.515 15.864 151 H ALA 17 H ALA 17 -4.895 -11.682 11.218 152 HA ALA 17 HA ALA 17 -6.447 -9.285 10.755 153 HB1 ALA 17 HB1 ALA 17 -4.317 -8.965 11.763 154 HB2 ALA 17 HB2 ALA 17 -3.509 -9.889 10.496 155 HB3 ALA 17 HB3 ALA 17 -4.220 -8.318 10.125 156 H VAL 18 H VAL 18 -5.148 -11.904 8.905 157 HA VAL 18 HA VAL 18 -5.039 -10.640 6.375 158 HB VAL 18 HB VAL 18 -3.907 -12.774 6.835 159 HG11 VAL 18 HG11 VAL 18 -5.909 -13.644 8.191 160 HG12 VAL 18 HG12 VAL 18 -6.559 -14.158 6.633 161 HG13 VAL 18 HG13 VAL 18 -5.014 -14.794 7.198 162 HG21 VAL 18 HG21 VAL 18 -4.699 -13.974 4.743 163 HG22 VAL 18 HG22 VAL 18 -5.917 -12.708 4.599 164 HG23 VAL 18 HG23 VAL 18 -4.204 -12.293 4.545 165 H SER 19 H SER 19 -7.608 -12.204 8.176 166 HA SER 19 HA SER 19 -9.452 -12.417 6.030 167 HB2 SER 19 HB2 SER 19 -9.496 -13.597 8.330 168 HB3 SER 19 HB3 SER 19 -10.264 -12.122 8.915 169 HG SER 19 HG SER 19 -12.024 -13.018 8.202 170 H ALA 20 H ALA 20 -9.183 -10.073 8.700 171 HA ALA 20 HA ALA 20 -11.281 -8.404 8.027 172 HB1 ALA 20 HB1 ALA 20 -9.654 -6.590 9.046 173 HB2 ALA 20 HB2 ALA 20 -10.381 -7.847 10.049 174 HB3 ALA 20 HB3 ALA 20 -8.719 -8.020 9.484 175 H ALA 21 H ALA 21 -8.134 -8.696 6.557 176 HA ALA 21 HA ALA 21 -8.296 -6.240 5.077 177 HB1 ALA 21 HB1 ALA 21 -6.482 -8.603 4.609 178 HB2 ALA 21 HB2 ALA 21 -6.268 -6.963 3.994 179 HB3 ALA 21 HB3 ALA 21 -6.146 -7.278 5.725 180 H TRP 22 H TRP 22 -9.063 -9.616 4.491 181 HA TRP 22 HA TRP 22 -9.450 -9.383 1.688 182 HB2 TRP 22 HB2 TRP 22 -10.060 -11.412 3.774 183 HB3 TRP 22 HB3 TRP 22 -10.977 -11.505 2.272 184 HD1 TRP 22 HD1 TRP 22 -7.808 -12.631 3.765 185 HE1 TRP 22 HE1 TRP 22 -6.231 -13.570 1.960 186 HE3 TRP 22 HE3 TRP 22 -10.232 -10.924 -0.400 187 HZ2 TRP 22 HZ2 TRP 22 -6.040 -13.585 -0.856 188 HZ3 TRP 22 HZ3 TRP 22 -9.286 -11.443 -2.611 189 HH2 TRP 22 HH2 TRP 22 -7.233 -12.746 -2.832 190 H LYS 23 H LYS 23 -11.646 -9.228 4.464 191 HA LYS 23 HA LYS 23 -14.027 -8.960 2.968 192 HB2 LYS 23 HB2 LYS 23 -13.766 -9.543 5.446 193 HB3 LYS 23 HB3 LYS 23 -13.584 -7.816 5.721 194 HG2 LYS 23 HG2 LYS 23 -15.817 -7.581 4.485 195 HG3 LYS 23 HG3 LYS 23 -15.985 -9.318 4.748 196 HD2 LYS 23 HD2 LYS 23 -16.140 -9.089 7.041 197 HD3 LYS 23 HD3 LYS 23 -15.294 -7.540 7.047 198 HE2 LYS 23 HE2 LYS 23 -17.540 -7.022 7.512 199 HE3 LYS 23 HE3 LYS 23 -17.310 -6.607 5.814 200 HZ1 LYS 23 HZ1 LYS 23 -19.393 -7.864 6.357 201 HZ2 LYS 23 HZ2 LYS 23 -18.423 -9.208 6.696 202 HZ3 LYS 23 HZ3 LYS 23 -18.439 -8.548 5.138 203 H TYR 24 H TYR 24 -11.928 -6.543 4.516 204 HA TYR 24 HA TYR 24 -13.408 -4.407 3.175 205 HB2 TYR 24 HB2 TYR 24 -11.110 -4.083 5.103 206 HB3 TYR 24 HB3 TYR 24 -12.320 -2.887 4.653 207 HD1 TYR 24 HD1 TYR 24 -14.811 -4.446 4.912 208 HD2 TYR 24 HD2 TYR 24 -11.365 -4.343 7.406 209 HE1 TYR 24 HE1 TYR 24 -16.190 -5.115 6.836 210 HE2 TYR 24 HE2 TYR 24 -12.734 -5.012 9.336 211 HH TYR 24 HH TYR 24 -15.112 -4.910 10.029 212 H LYS 25 H LYS 25 -11.595 -6.303 1.779 213 HA LYS 25 HA LYS 25 -9.138 -5.238 1.106 214 HB2 LYS 25 HB2 LYS 25 -9.923 -7.443 0.359 215 HB3 LYS 25 HB3 LYS 25 -11.079 -6.671 -0.718 216 HG2 LYS 25 HG2 LYS 25 -9.248 -5.689 -1.994 217 HG3 LYS 25 HG3 LYS 25 -8.081 -6.444 -0.906 218 HD2 LYS 25 HD2 LYS 25 -8.137 -7.925 -2.688 219 HD3 LYS 25 HD3 LYS 25 -9.280 -8.651 -1.555 220 HE2 LYS 25 HE2 LYS 25 -11.064 -7.295 -2.823 221 HE3 LYS 25 HE3 LYS 25 -9.835 -7.121 -4.075 222 HZ1 LYS 25 HZ1 LYS 25 -10.028 -9.260 -4.681 223 HZ2 LYS 25 HZ2 LYS 25 -11.550 -9.155 -3.952 224 HZ3 LYS 25 HZ3 LYS 25 -10.249 -9.819 -3.099 225 H GLY 26 H GLY 26 -12.331 -4.421 -0.175 226 HA2 GLY 26 HA2 GLY 26 -11.566 -2.783 -2.294 227 HA3 GLY 26 HA3 GLY 26 -13.056 -2.607 -1.379 228 H LYS 27 H LYS 27 -11.361 -2.206 1.106 229 HA LYS 27 HA LYS 27 -10.894 0.657 0.661 230 HB2 LYS 27 HB2 LYS 27 -11.070 -0.737 3.328 231 HB3 LYS 27 HB3 LYS 27 -11.242 0.981 2.991 232 HG2 LYS 27 HG2 LYS 27 -13.281 0.217 1.564 233 HG3 LYS 27 HG3 LYS 27 -13.187 -1.238 2.559 234 HD2 LYS 27 HD2 LYS 27 -13.707 -0.102 4.501 235 HD3 LYS 27 HD3 LYS 27 -13.138 1.446 3.871 236 HE2 LYS 27 HE2 LYS 27 -15.580 0.016 2.835 237 HE3 LYS 27 HE3 LYS 27 -15.631 1.229 4.113 238 HZ1 LYS 27 HZ1 LYS 27 -15.460 2.865 2.638 239 HZ2 LYS 27 HZ2 LYS 27 -15.784 1.716 1.440 240 HZ3 LYS 27 HZ3 LYS 27 -14.184 2.122 1.811 241 H VAL 28 H VAL 28 -9.341 -2.304 1.647 242 HA VAL 28 HA VAL 28 -7.013 -1.201 2.797 243 HB VAL 28 HB VAL 28 -7.354 -3.854 1.390 244 HG11 VAL 28 HG11 VAL 28 -5.388 -4.540 2.724 245 HG12 VAL 28 HG12 VAL 28 -5.014 -3.278 1.549 246 HG13 VAL 28 HG13 VAL 28 -5.198 -2.870 3.255 247 HG21 VAL 28 HG21 VAL 28 -8.762 -4.175 3.125 248 HG22 VAL 28 HG22 VAL 28 -7.265 -4.437 4.020 249 HG23 VAL 28 HG23 VAL 28 -8.062 -2.865 4.076 250 H LEU 29 H LEU 29 -7.612 -2.448 -0.488 251 HA LEU 29 HA LEU 29 -5.111 -1.907 -1.571 252 HB2 LEU 29 HB2 LEU 29 -7.854 -2.204 -2.680 253 HB3 LEU 29 HB3 LEU 29 -6.595 -1.564 -3.735 254 HG LEU 29 HG LEU 29 -6.881 -3.955 -4.065 255 HD11 LEU 29 HD11 LEU 29 -4.289 -3.685 -2.605 256 HD12 LEU 29 HD12 LEU 29 -4.589 -2.740 -4.063 257 HD13 LEU 29 HD13 LEU 29 -4.640 -4.501 -4.129 258 HD21 LEU 29 HD21 LEU 29 -6.552 -5.565 -2.365 259 HD22 LEU 29 HD22 LEU 29 -7.668 -4.371 -1.701 260 HD23 LEU 29 HD23 LEU 29 -5.969 -4.351 -1.225 261 H GLU 30 H GLU 30 -7.711 0.240 -0.789 262 HA GLU 30 HA GLU 30 -6.754 2.415 -2.419 263 HB2 GLU 30 HB2 GLU 30 -8.893 2.169 -0.315 264 HB3 GLU 30 HB3 GLU 30 -8.451 3.725 -1.004 265 HG2 GLU 30 HG2 GLU 30 -9.267 1.400 -2.713 266 HG3 GLU 30 HG3 GLU 30 -10.439 2.519 -2.020 267 H TRP 31 H TRP 31 -6.249 1.236 0.799 268 HA TRP 31 HA TRP 31 -5.129 3.693 1.804 269 HB2 TRP 31 HB2 TRP 31 -5.404 0.901 2.875 270 HB3 TRP 31 HB3 TRP 31 -4.363 2.067 3.687 271 HD1 TRP 31 HD1 TRP 31 -6.300 4.623 3.274 272 HE1 TRP 31 HE1 TRP 31 -8.427 4.791 4.715 273 HE3 TRP 31 HE3 TRP 31 -6.796 -0.298 4.568 274 HZ2 TRP 31 HZ2 TRP 31 -10.093 3.066 6.203 275 HZ3 TRP 31 HZ3 TRP 31 -8.683 -0.956 6.003 276 HH2 TRP 31 HH2 TRP 31 -10.296 0.693 6.803 277 H LEU 32 H LEU 32 -3.982 0.876 0.153 278 HA LEU 32 HA LEU 32 -1.227 1.184 0.875 279 HB2 LEU 32 HB2 LEU 32 -2.379 -0.300 -1.479 280 HB3 LEU 32 HB3 LEU 32 -0.787 -0.524 -0.757 281 HG LEU 32 HG LEU 32 -3.246 -1.028 0.871 282 HD11 LEU 32 HD11 LEU 32 -2.816 -2.313 -1.552 283 HD12 LEU 32 HD12 LEU 32 -3.844 -2.862 -0.229 284 HD13 LEU 32 HD13 LEU 32 -2.176 -3.423 -0.340 285 HD21 LEU 32 HD21 LEU 32 -0.367 -1.530 1.033 286 HD22 LEU 32 HD22 LEU 32 -1.368 -2.920 1.453 287 HD23 LEU 32 HD23 LEU 32 -1.572 -1.393 2.314 288 H ASN 33 H ASN 33 -3.319 2.520 -1.530 289 HA ASN 33 HA ASN 33 -1.111 3.476 -3.166 290 HB2 ASN 33 HB2 ASN 33 -3.026 2.746 -4.401 291 HB3 ASN 33 HB3 ASN 33 -4.110 3.727 -3.418 292 HD21 ASN 33 HD21 ASN 33 -4.894 5.304 -4.604 293 HD22 ASN 33 HD22 ASN 33 -4.002 6.291 -5.706 294 H VAL 34 H VAL 34 -3.651 4.779 -1.070 295 HA VAL 34 HA VAL 34 -2.744 7.495 -1.384 296 HB VAL 34 HB VAL 34 -4.437 8.089 0.233 297 HG11 VAL 34 HG11 VAL 34 -5.994 7.895 -1.339 298 HG12 VAL 34 HG12 VAL 34 -4.929 6.777 -2.193 299 HG13 VAL 34 HG13 VAL 34 -6.129 6.159 -1.058 300 HG21 VAL 34 HG21 VAL 34 -4.153 5.285 1.006 301 HG22 VAL 34 HG22 VAL 34 -4.689 6.673 1.952 302 HG23 VAL 34 HG23 VAL 34 -5.828 5.829 0.903 303 H GLY 35 H GLY 35 -2.115 4.848 0.766 304 HA2 GLY 35 HA2 GLY 35 -0.925 6.532 2.811 305 HA3 GLY 35 HA3 GLY 35 -1.017 4.778 2.825 306 HA PRO 36 HA PRO 36 3.272 6.417 1.566 307 HB2 PRO 36 HB2 PRO 36 4.584 5.907 3.887 308 HB3 PRO 36 HB3 PRO 36 3.803 7.456 3.545 309 HG2 PRO 36 HG2 PRO 36 2.807 5.150 5.175 310 HG3 PRO 36 HG3 PRO 36 2.726 6.887 5.526 311 HD2 PRO 36 HD2 PRO 36 0.616 5.498 4.550 312 HD3 PRO 36 HD3 PRO 36 0.899 7.206 4.158 313 H THR 37 H THR 37 2.604 3.749 3.841 314 HA THR 37 HA THR 37 3.651 1.832 1.936 315 HB THR 37 HB THR 37 5.155 0.810 3.714 316 HG1 THR 37 HG1 THR 37 5.044 3.434 4.815 317 HG21 THR 37 HG21 THR 37 6.121 3.528 2.884 318 HG22 THR 37 HG22 THR 37 5.844 2.256 1.694 319 HG23 THR 37 HG23 THR 37 7.020 2.015 2.985 320 H LEU 38 H LEU 38 3.731 -0.432 3.234 321 HA LEU 38 HA LEU 38 1.061 -1.067 3.797 322 HB2 LEU 38 HB2 LEU 38 3.477 -2.634 4.674 323 HB3 LEU 38 HB3 LEU 38 1.849 -3.247 4.394 324 HG LEU 38 HG LEU 38 3.682 -2.166 2.255 325 HD11 LEU 38 HD11 LEU 38 4.718 -4.137 2.617 326 HD12 LEU 38 HD12 LEU 38 3.375 -4.763 1.661 327 HD13 LEU 38 HD13 LEU 38 3.321 -4.852 3.421 328 HD21 LEU 38 HD21 LEU 38 1.723 -3.772 1.130 329 HD22 LEU 38 HD22 LEU 38 1.802 -2.010 1.073 330 HD23 LEU 38 HD23 LEU 38 0.859 -2.811 2.331 331 H GLU 39 H GLU 39 3.736 -0.185 5.887 332 HA GLU 39 HA GLU 39 2.798 -0.981 8.357 333 HB2 GLU 39 HB2 GLU 39 4.986 0.286 7.633 334 HB3 GLU 39 HB3 GLU 39 4.062 1.715 8.075 335 HG2 GLU 39 HG2 GLU 39 3.628 0.458 10.290 336 HG3 GLU 39 HG3 GLU 39 5.005 -0.529 9.804 337 H TRP 40 H TRP 40 2.135 2.082 6.673 338 HA TRP 40 HA TRP 40 0.443 3.160 8.645 339 HB2 TRP 40 HB2 TRP 40 1.486 4.465 6.798 340 HB3 TRP 40 HB3 TRP 40 0.374 3.696 5.668 341 HD1 TRP 40 HD1 TRP 40 0.297 6.067 8.723 342 HE1 TRP 40 HE1 TRP 40 -1.797 7.550 8.529 343 HE3 TRP 40 HE3 TRP 40 -1.824 3.938 4.588 344 HZ2 TRP 40 HZ2 TRP 40 -4.051 7.786 6.845 345 HZ3 TRP 40 HZ3 TRP 40 -3.949 4.851 3.750 346 HH2 TRP 40 HH2 TRP 40 -5.038 6.736 4.857 347 H VAL 41 H VAL 41 -0.359 1.491 5.598 348 HA VAL 41 HA VAL 41 -3.110 1.504 5.795 349 HB VAL 41 HB VAL 41 -1.386 -0.728 4.711 350 HG11 VAL 41 HG11 VAL 41 -3.849 -0.448 3.328 351 HG12 VAL 41 HG12 VAL 41 -3.260 -1.827 4.259 352 HG13 VAL 41 HG13 VAL 41 -4.199 -0.562 5.052 353 HG21 VAL 41 HG21 VAL 41 -2.223 1.911 3.658 354 HG22 VAL 41 HG22 VAL 41 -0.745 0.992 3.370 355 HG23 VAL 41 HG23 VAL 41 -2.235 0.553 2.533 356 H TRP 42 H TRP 42 -0.827 -0.831 7.180 357 HA TRP 42 HA TRP 42 -2.596 -2.686 8.201 358 HB2 TRP 42 HB2 TRP 42 -0.263 -3.148 8.321 359 HB3 TRP 42 HB3 TRP 42 0.046 -1.696 9.269 360 HD1 TRP 42 HD1 TRP 42 0.836 -2.538 11.559 361 HE1 TRP 42 HE1 TRP 42 -0.034 -4.226 13.297 362 HE3 TRP 42 HE3 TRP 42 -3.075 -4.490 8.907 363 HZ2 TRP 42 HZ2 TRP 42 -2.104 -6.133 13.514 364 HZ3 TRP 42 HZ3 TRP 42 -4.450 -6.243 9.952 365 HH2 TRP 42 HH2 TRP 42 -3.973 -7.046 12.207 366 H GLN 43 H GLN 43 -1.313 0.182 9.890 367 HA GLN 43 HA GLN 43 -2.808 -0.108 12.231 368 HB2 GLN 43 HB2 GLN 43 -1.800 2.426 10.927 369 HB3 GLN 43 HB3 GLN 43 -2.371 2.302 12.585 370 HG2 GLN 43 HG2 GLN 43 -0.108 0.616 11.582 371 HG3 GLN 43 HG3 GLN 43 0.148 2.259 12.166 372 HE21 GLN 43 HE21 GLN 43 1.478 0.447 13.490 373 HE22 GLN 43 HE22 GLN 43 0.761 0.086 15.019 374 H LYS 44 H LYS 44 -3.491 1.915 9.379 375 HA LYS 44 HA LYS 44 -5.905 2.992 10.175 376 HB2 LYS 44 HB2 LYS 44 -4.682 2.350 7.537 377 HB3 LYS 44 HB3 LYS 44 -6.393 2.755 7.564 378 HG2 LYS 44 HG2 LYS 44 -4.196 4.480 8.690 379 HG3 LYS 44 HG3 LYS 44 -4.950 4.694 7.108 380 HD2 LYS 44 HD2 LYS 44 -7.161 4.696 8.556 381 HD3 LYS 44 HD3 LYS 44 -6.047 5.205 9.828 382 HE2 LYS 44 HE2 LYS 44 -5.318 7.080 8.481 383 HE3 LYS 44 HE3 LYS 44 -6.325 6.543 7.138 384 HZ1 LYS 44 HZ1 LYS 44 -7.585 8.183 8.146 385 HZ2 LYS 44 HZ2 LYS 44 -7.156 7.715 9.714 386 HZ3 LYS 44 HZ3 LYS 44 -8.232 6.770 8.813 387 H LEU 45 H LEU 45 -5.387 -0.036 8.372 388 HA LEU 45 HA LEU 45 -8.101 -0.781 8.265 389 HB2 LEU 45 HB2 LEU 45 -6.685 -1.856 6.753 390 HB3 LEU 45 HB3 LEU 45 -5.520 -2.279 8.007 391 HG LEU 45 HG LEU 45 -7.177 -3.909 8.905 392 HD11 LEU 45 HD11 LEU 45 -9.036 -2.575 7.518 393 HD12 LEU 45 HD12 LEU 45 -9.214 -4.264 7.994 394 HD13 LEU 45 HD13 LEU 45 -8.680 -3.860 6.363 395 HD21 LEU 45 HD21 LEU 45 -6.934 -4.878 6.182 396 HD22 LEU 45 HD22 LEU 45 -6.180 -5.467 7.664 397 HD23 LEU 45 HD23 LEU 45 -5.442 -4.140 6.765 398 H LYS 46 H LYS 46 -5.621 -1.224 10.689 399 HA LYS 46 HA LYS 46 -6.845 -3.227 12.225 400 HB2 LYS 46 HB2 LYS 46 -4.478 -1.980 12.367 401 HB3 LYS 46 HB3 LYS 46 -5.325 -1.093 13.628 402 HG2 LYS 46 HG2 LYS 46 -5.909 -3.321 14.645 403 HG3 LYS 46 HG3 LYS 46 -4.784 -4.046 13.494 404 HD2 LYS 46 HD2 LYS 46 -3.239 -2.078 14.507 405 HD3 LYS 46 HD3 LYS 46 -4.258 -2.428 15.905 406 HE2 LYS 46 HE2 LYS 46 -3.659 -4.925 15.233 407 HE3 LYS 46 HE3 LYS 46 -2.247 -4.133 14.534 408 HZ1 LYS 46 HZ1 LYS 46 -1.417 -3.647 16.548 409 HZ2 LYS 46 HZ2 LYS 46 -2.399 -4.920 17.073 410 HZ3 LYS 46 HZ3 LYS 46 -2.929 -3.321 17.234 411 H LYS 47 H LYS 47 -7.520 0.150 11.898 412 HA LYS 47 HA LYS 47 -8.991 0.432 14.337 413 HB2 LYS 47 HB2 LYS 47 -7.911 2.313 13.041 414 HB3 LYS 47 HB3 LYS 47 -9.205 2.149 11.862 415 HG2 LYS 47 HG2 LYS 47 -10.791 3.008 13.275 416 HG3 LYS 47 HG3 LYS 47 -9.911 2.531 14.729 417 HD2 LYS 47 HD2 LYS 47 -9.700 4.867 14.641 418 HD3 LYS 47 HD3 LYS 47 -8.163 4.256 14.025 419 HE2 LYS 47 HE2 LYS 47 -8.597 4.932 11.883 420 HE3 LYS 47 HE3 LYS 47 -10.343 4.784 12.075 421 HZ1 LYS 47 HZ1 LYS 47 -9.243 6.799 13.773 422 HZ2 LYS 47 HZ2 LYS 47 -10.503 6.910 12.651 423 HZ3 LYS 47 HZ3 LYS 47 -8.901 7.102 12.144 424 H ILE 48 H ILE 48 -9.936 0.128 10.916 425 HA ILE 48 HA ILE 48 -12.717 0.032 11.422 426 HB ILE 48 HB ILE 48 -11.850 0.598 9.215 427 HG12 ILE 48 HG12 ILE 48 -13.407 -1.989 9.067 428 HG13 ILE 48 HG13 ILE 48 -14.122 -0.439 9.498 429 HG21 ILE 48 HG21 ILE 48 -10.931 -1.177 7.754 430 HG22 ILE 48 HG22 ILE 48 -9.900 -0.812 9.137 431 HG23 ILE 48 HG23 ILE 48 -10.903 -2.262 9.144 432 HD11 ILE 48 HD11 ILE 48 -13.959 -1.484 6.979 433 HD12 ILE 48 HD12 ILE 48 -14.237 0.212 7.374 434 HD13 ILE 48 HD13 ILE 48 -12.606 -0.354 7.015 435 H ALA 49 H ALA 49 -10.207 -2.391 11.389 436 HA ALA 49 HA ALA 49 -12.079 -4.600 11.438 437 HB1 ALA 49 HB1 ALA 49 -9.088 -4.598 11.823 438 HB2 ALA 49 HB2 ALA 49 -10.108 -6.016 11.577 439 HB3 ALA 49 HB3 ALA 49 -9.925 -4.826 10.288 440 H GLY 50 H GLY 50 -10.208 -2.705 13.699 441 HA2 GLY 50 HA2 GLY 50 -10.295 -2.592 15.993 442 HA3 GLY 50 HA3 GLY 50 -11.744 -3.585 15.915 443 H LEU 51 H LEU 51 -8.324 -4.156 15.083 444 HA LEU 51 HA LEU 51 -8.474 -6.726 16.460 445 HB2 LEU 51 HB2 LEU 51 -6.111 -5.670 14.943 446 HB3 LEU 51 HB3 LEU 51 -6.532 -7.345 15.294 447 HG LEU 51 HG LEU 51 -8.144 -5.596 13.446 448 HD11 LEU 51 HD11 LEU 51 -5.839 -7.432 12.835 449 HD12 LEU 51 HD12 LEU 51 -5.980 -5.713 12.466 450 HD13 LEU 51 HD13 LEU 51 -7.001 -6.881 11.627 451 HD21 LEU 51 HD21 LEU 51 -8.157 -8.469 14.240 452 HD22 LEU 51 HD22 LEU 51 -8.648 -8.027 12.605 453 HD23 LEU 51 HD23 LEU 51 -9.507 -7.360 13.994 Start of MODEL 6 1 H1 MET 1 H MET 1 5.969 -1.332 -2.512 2 HA MET 1 HA MET 1 4.359 -2.706 -0.469 3 HB2 MET 1 HB2 MET 1 3.028 -0.708 -0.304 4 HB3 MET 1 HB3 MET 1 4.723 -0.259 -0.167 5 HG2 MET 1 HG2 MET 1 4.565 0.196 -2.703 6 HG3 MET 1 HG3 MET 1 2.825 0.208 -2.425 7 HE1 MET 1 HE1 MET 1 5.234 3.665 -2.567 8 HE2 MET 1 HE2 MET 1 6.218 2.536 -1.635 9 HE3 MET 1 HE3 MET 1 5.499 2.026 -3.164 10 H SER 2 H SER 2 2.539 -3.755 -1.022 11 HA SER 2 HA SER 2 1.001 -3.194 -3.336 12 HB2 SER 2 HB2 SER 2 3.089 -5.316 -3.520 13 HB3 SER 2 HB3 SER 2 1.521 -5.638 -4.260 14 HG SER 2 HG SER 2 2.553 -4.616 -5.844 15 H TRP 3 H TRP 3 -0.562 -5.138 -3.763 16 HA TRP 3 HA TRP 3 -1.972 -5.602 -1.372 17 HB2 TRP 3 HB2 TRP 3 -3.161 -5.547 -3.463 18 HB3 TRP 3 HB3 TRP 3 -2.205 -6.882 -4.100 19 HD1 TRP 3 HD1 TRP 3 -3.598 -9.014 -4.187 20 HE1 TRP 3 HE1 TRP 3 -5.417 -10.103 -2.727 21 HE3 TRP 3 HE3 TRP 3 -3.973 -5.436 -0.555 22 HZ2 TRP 3 HZ2 TRP 3 -6.824 -9.522 -0.350 23 HZ3 TRP 3 HZ3 TRP 3 -5.580 -5.778 1.277 24 HH2 TRP 3 HH2 TRP 3 -6.976 -7.779 1.375 25 H LEU 4 H LEU 4 -0.535 -8.076 -3.507 26 HA LEU 4 HA LEU 4 -0.696 -10.207 -1.762 27 HB2 LEU 4 HB2 LEU 4 1.447 -9.650 -3.808 28 HB3 LEU 4 HB3 LEU 4 1.141 -11.215 -3.058 29 HG LEU 4 HG LEU 4 -0.817 -9.740 -4.816 30 HD11 LEU 4 HD11 LEU 4 0.632 -12.235 -5.591 31 HD12 LEU 4 HD12 LEU 4 1.383 -10.659 -5.838 32 HD13 LEU 4 HD13 LEU 4 -0.157 -11.032 -6.611 33 HD21 LEU 4 HD21 LEU 4 -2.164 -11.113 -3.585 34 HD22 LEU 4 HD22 LEU 4 -0.884 -12.289 -3.286 35 HD23 LEU 4 HD23 LEU 4 -1.680 -12.233 -4.859 36 H ASN 5 H ASN 5 1.735 -7.677 -1.948 37 HA ASN 5 HA ASN 5 3.602 -8.870 -0.181 38 HB2 ASN 5 HB2 ASN 5 3.145 -6.017 -1.054 39 HB3 ASN 5 HB3 ASN 5 4.439 -6.472 0.050 40 HD21 ASN 5 HD21 ASN 5 5.936 -5.704 -1.494 41 HD22 ASN 5 HD22 ASN 5 6.351 -6.653 -2.877 42 H PHE 6 H PHE 6 1.087 -6.402 0.311 43 HA PHE 6 HA PHE 6 1.488 -5.895 2.999 44 HB2 PHE 6 HB2 PHE 6 -0.064 -4.592 1.640 45 HB3 PHE 6 HB3 PHE 6 -1.128 -5.986 1.482 46 HD1 PHE 6 HD1 PHE 6 0.137 -3.415 3.776 47 HD2 PHE 6 HD2 PHE 6 -2.610 -6.622 3.243 48 HE1 PHE 6 HE1 PHE 6 -1.059 -2.724 5.813 49 HE2 PHE 6 HE2 PHE 6 -3.811 -5.937 5.278 50 HZ PHE 6 HZ PHE 6 -3.036 -3.985 6.566 51 H LEU 7 H LEU 7 -0.821 -8.234 1.611 52 HA LEU 7 HA LEU 7 -1.735 -9.362 3.955 53 HB2 LEU 7 HB2 LEU 7 -1.238 -10.700 1.301 54 HB3 LEU 7 HB3 LEU 7 -2.191 -11.394 2.610 55 HG LEU 7 HG LEU 7 -2.863 -8.857 1.120 56 HD11 LEU 7 HD11 LEU 7 -3.452 -11.685 0.621 57 HD12 LEU 7 HD12 LEU 7 -3.502 -10.301 -0.471 58 HD13 LEU 7 HD13 LEU 7 -4.860 -10.623 0.607 59 HD21 LEU 7 HD21 LEU 7 -4.076 -10.289 3.436 60 HD22 LEU 7 HD22 LEU 7 -5.131 -9.463 2.289 61 HD23 LEU 7 HD23 LEU 7 -3.887 -8.558 3.152 62 H LYS 8 H LYS 8 1.058 -10.383 2.005 63 HA LYS 8 HA LYS 8 1.856 -12.552 3.554 64 HB2 LYS 8 HB2 LYS 8 2.755 -11.494 1.270 65 HB3 LYS 8 HB3 LYS 8 3.970 -10.834 2.357 66 HG2 LYS 8 HG2 LYS 8 4.073 -13.347 3.178 67 HG3 LYS 8 HG3 LYS 8 3.468 -13.641 1.547 68 HD2 LYS 8 HD2 LYS 8 5.380 -12.854 0.549 69 HD3 LYS 8 HD3 LYS 8 5.776 -11.790 1.901 70 HE2 LYS 8 HE2 LYS 8 7.366 -13.426 2.156 71 HE3 LYS 8 HE3 LYS 8 6.082 -14.050 3.189 72 HZ1 LYS 8 HZ1 LYS 8 6.013 -15.871 1.960 73 HZ2 LYS 8 HZ2 LYS 8 7.272 -15.288 0.992 74 HZ3 LYS 8 HZ3 LYS 8 5.664 -14.970 0.571 75 H TYR 9 H TYR 9 2.633 -9.119 3.885 76 HA TYR 9 HA TYR 9 4.518 -9.396 5.963 77 HB2 TYR 9 HB2 TYR 9 4.439 -7.340 4.733 78 HB3 TYR 9 HB3 TYR 9 2.749 -7.086 5.154 79 HD1 TYR 9 HD1 TYR 9 5.826 -7.872 7.135 80 HD2 TYR 9 HD2 TYR 9 2.503 -5.278 6.557 81 HE1 TYR 9 HE1 TYR 9 6.518 -6.559 9.096 82 HE2 TYR 9 HE2 TYR 9 3.187 -3.957 8.516 83 HH TYR 9 HH TYR 9 5.038 -4.912 10.822 84 H ILE 10 H ILE 10 1.115 -8.333 6.136 85 HA ILE 10 HA ILE 10 0.936 -8.360 8.931 86 HB ILE 10 HB ILE 10 -1.491 -8.371 8.639 87 HG12 ILE 10 HG12 ILE 10 -0.951 -8.759 5.689 88 HG13 ILE 10 HG13 ILE 10 -1.491 -10.043 6.765 89 HG21 ILE 10 HG21 ILE 10 0.334 -6.535 7.354 90 HG22 ILE 10 HG22 ILE 10 -1.246 -6.529 6.574 91 HG23 ILE 10 HG23 ILE 10 -1.115 -6.203 8.302 92 HD11 ILE 10 HD11 ILE 10 -3.224 -8.806 5.329 93 HD12 ILE 10 HD12 ILE 10 -3.591 -9.105 7.028 94 HD13 ILE 10 HD13 ILE 10 -3.052 -7.508 6.511 95 H ALA 11 H ALA 11 0.966 -10.928 6.664 96 HA ALA 11 HA ALA 11 -0.559 -12.899 7.844 97 HB1 ALA 11 HB1 ALA 11 2.124 -13.574 6.712 98 HB2 ALA 11 HB2 ALA 11 0.590 -14.429 6.547 99 HB3 ALA 11 HB3 ALA 11 0.858 -12.922 5.671 100 H LYS 12 H LYS 12 2.528 -11.619 8.844 101 HA LYS 12 HA LYS 12 3.422 -13.643 10.528 102 HB2 LYS 12 HB2 LYS 12 4.681 -11.890 11.702 103 HB3 LYS 12 HB3 LYS 12 4.794 -11.709 9.957 104 HG2 LYS 12 HG2 LYS 12 2.780 -10.075 10.296 105 HG3 LYS 12 HG3 LYS 12 3.383 -10.009 11.953 106 HD2 LYS 12 HD2 LYS 12 5.441 -9.735 9.874 107 HD3 LYS 12 HD3 LYS 12 4.260 -8.424 9.928 108 HE2 LYS 12 HE2 LYS 12 4.945 -7.709 11.976 109 HE3 LYS 12 HE3 LYS 12 5.398 -9.327 12.510 110 HZ1 LYS 12 HZ1 LYS 12 6.953 -7.913 10.435 111 HZ2 LYS 12 HZ2 LYS 12 7.434 -9.196 11.427 112 HZ3 LYS 12 HZ3 LYS 12 7.248 -7.647 12.080 113 H TYR 13 H TYR 13 1.056 -11.097 11.095 114 HA TYR 13 HA TYR 13 0.768 -11.504 13.876 115 HB2 TYR 13 HB2 TYR 13 -1.222 -10.399 11.884 116 HB3 TYR 13 HB3 TYR 13 -1.342 -10.251 13.634 117 HD1 TYR 13 HD2 TYR 13 0.774 -9.154 14.786 118 HD2 TYR 13 HD1 TYR 13 -0.284 -8.654 10.695 119 HE1 TYR 13 HE2 TYR 13 2.092 -7.078 14.705 120 HE2 TYR 13 HE1 TYR 13 1.032 -6.578 10.602 121 HH TYR 13 HH TYR 13 3.125 -5.662 12.008 122 H GLY 14 H GLY 14 -0.453 -13.187 11.109 123 HA2 GLY 14 HA2 GLY 14 -1.102 -15.544 11.749 124 HA3 GLY 14 HA3 GLY 14 -2.223 -14.774 12.862 125 H LYS 15 H LYS 15 -3.806 -16.103 11.682 126 HA LYS 15 HA LYS 15 -4.479 -15.118 9.012 127 HB2 LYS 15 HB2 LYS 15 -6.080 -16.989 8.956 128 HB3 LYS 15 HB3 LYS 15 -4.444 -17.533 9.300 129 HG2 LYS 15 HG2 LYS 15 -6.140 -16.949 11.641 130 HG3 LYS 15 HG3 LYS 15 -6.595 -18.349 10.668 131 HD2 LYS 15 HD2 LYS 15 -4.687 -19.498 11.184 132 HD3 LYS 15 HD3 LYS 15 -3.730 -18.030 11.393 133 HE2 LYS 15 HE2 LYS 15 -4.832 -17.595 13.517 134 HE3 LYS 15 HE3 LYS 15 -5.848 -19.019 13.300 135 HZ1 LYS 15 HZ1 LYS 15 -2.953 -18.889 13.857 136 HZ2 LYS 15 HZ2 LYS 15 -3.639 -20.270 13.163 137 HZ3 LYS 15 HZ3 LYS 15 -4.155 -19.744 14.686 138 H LYS 16 H LYS 16 -4.872 -13.579 11.545 139 HA LYS 16 HA LYS 16 -7.796 -13.357 11.602 140 HB2 LYS 16 HB2 LYS 16 -5.604 -12.550 13.473 141 HB3 LYS 16 HB3 LYS 16 -7.138 -11.690 13.531 142 HG2 LYS 16 HG2 LYS 16 -8.306 -13.553 14.247 143 HG3 LYS 16 HG3 LYS 16 -7.083 -14.675 13.647 144 HD2 LYS 16 HD2 LYS 16 -6.486 -12.738 15.862 145 HD3 LYS 16 HD3 LYS 16 -7.237 -14.303 16.182 146 HE2 LYS 16 HE2 LYS 16 -5.362 -15.471 15.294 147 HE3 LYS 16 HE3 LYS 16 -4.663 -13.986 14.651 148 HZ1 LYS 16 HZ1 LYS 16 -5.139 -13.985 17.507 149 HZ2 LYS 16 HZ2 LYS 16 -3.800 -13.437 16.632 150 HZ3 LYS 16 HZ3 LYS 16 -3.964 -15.084 16.984 151 H ALA 17 H ALA 17 -4.877 -11.571 10.834 152 HA ALA 17 HA ALA 17 -6.306 -9.112 10.312 153 HB1 ALA 17 HB1 ALA 17 -4.100 -8.892 11.189 154 HB2 ALA 17 HB2 ALA 17 -3.429 -9.907 9.912 155 HB3 ALA 17 HB3 ALA 17 -4.072 -8.312 9.524 156 H VAL 18 H VAL 18 -5.148 -11.866 8.523 157 HA VAL 18 HA VAL 18 -5.167 -10.747 5.936 158 HB VAL 18 HB VAL 18 -4.090 -12.899 6.452 159 HG11 VAL 18 HG11 VAL 18 -6.882 -14.029 6.585 160 HG12 VAL 18 HG12 VAL 18 -5.366 -14.910 6.784 161 HG13 VAL 18 HG13 VAL 18 -5.861 -13.720 7.989 162 HG21 VAL 18 HG21 VAL 18 -5.047 -14.170 4.464 163 HG22 VAL 18 HG22 VAL 18 -6.201 -12.845 4.311 164 HG23 VAL 18 HG23 VAL 18 -4.472 -12.531 4.158 165 H SER 19 H SER 19 -7.689 -12.111 7.951 166 HA SER 19 HA SER 19 -9.655 -12.376 5.928 167 HB2 SER 19 HB2 SER 19 -9.858 -13.563 8.052 168 HB3 SER 19 HB3 SER 19 -9.969 -12.032 8.921 169 HG SER 19 HG SER 19 -12.034 -12.284 8.615 170 H ALA 20 H ALA 20 -9.197 -9.889 8.440 171 HA ALA 20 HA ALA 20 -11.248 -8.180 7.721 172 HB1 ALA 20 HB1 ALA 20 -9.737 -6.365 8.690 173 HB2 ALA 20 HB2 ALA 20 -10.149 -7.722 9.739 174 HB3 ALA 20 HB3 ALA 20 -8.566 -7.656 8.964 175 H ALA 21 H ALA 21 -7.987 -8.424 6.388 176 HA ALA 21 HA ALA 21 -8.089 -6.132 4.753 177 HB1 ALA 21 HB1 ALA 21 -6.514 -8.640 4.203 178 HB2 ALA 21 HB2 ALA 21 -6.157 -7.001 3.656 179 HB3 ALA 21 HB3 ALA 21 -6.028 -7.407 5.367 180 H TRP 22 H TRP 22 -9.058 -9.481 4.210 181 HA TRP 22 HA TRP 22 -9.603 -9.186 1.437 182 HB2 TRP 22 HB2 TRP 22 -10.176 -11.235 3.524 183 HB3 TRP 22 HB3 TRP 22 -11.135 -11.280 2.047 184 HD1 TRP 22 HD1 TRP 22 -8.053 -12.645 3.423 185 HE1 TRP 22 HE1 TRP 22 -6.512 -13.540 1.566 186 HE3 TRP 22 HE3 TRP 22 -10.316 -10.484 -0.620 187 HZ2 TRP 22 HZ2 TRP 22 -6.286 -13.354 -1.242 188 HZ3 TRP 22 HZ3 TRP 22 -9.375 -10.893 -2.856 189 HH2 TRP 22 HH2 TRP 22 -7.401 -12.298 -3.159 190 H LYS 23 H LYS 23 -11.585 -8.942 4.355 191 HA LYS 23 HA LYS 23 -14.064 -8.623 3.029 192 HB2 LYS 23 HB2 LYS 23 -13.428 -9.084 5.571 193 HB3 LYS 23 HB3 LYS 23 -13.602 -7.337 5.678 194 HG2 LYS 23 HG2 LYS 23 -15.722 -9.160 4.571 195 HG3 LYS 23 HG3 LYS 23 -15.650 -8.637 6.255 196 HD2 LYS 23 HD2 LYS 23 -15.531 -6.247 5.193 197 HD3 LYS 23 HD3 LYS 23 -16.247 -7.052 3.795 198 HE2 LYS 23 HE2 LYS 23 -17.376 -7.177 6.587 199 HE3 LYS 23 HE3 LYS 23 -17.901 -6.026 5.360 200 HZ1 LYS 23 HZ1 LYS 23 -19.406 -7.663 5.005 201 HZ2 LYS 23 HZ2 LYS 23 -18.383 -8.900 5.540 202 HZ3 LYS 23 HZ3 LYS 23 -18.183 -8.247 3.992 203 H TYR 24 H TYR 24 -11.837 -6.248 4.471 204 HA TYR 24 HA TYR 24 -13.316 -4.090 3.165 205 HB2 TYR 24 HB2 TYR 24 -10.973 -3.848 5.056 206 HB3 TYR 24 HB3 TYR 24 -12.100 -2.581 4.584 207 HD1 TYR 24 HD1 TYR 24 -14.694 -3.918 4.877 208 HD2 TYR 24 HD2 TYR 24 -11.239 -4.094 7.353 209 HE1 TYR 24 HE1 TYR 24 -16.115 -4.458 6.811 210 HE2 TYR 24 HE2 TYR 24 -12.650 -4.635 9.294 211 HH TYR 24 HH TYR 24 -16.097 -4.417 9.177 212 H LYS 25 H LYS 25 -11.639 -5.998 1.678 213 HA LYS 25 HA LYS 25 -9.160 -5.039 0.937 214 HB2 LYS 25 HB2 LYS 25 -10.229 -7.183 0.183 215 HB3 LYS 25 HB3 LYS 25 -11.182 -6.243 -0.958 216 HG2 LYS 25 HG2 LYS 25 -9.238 -5.589 -2.164 217 HG3 LYS 25 HG3 LYS 25 -8.174 -6.256 -0.924 218 HD2 LYS 25 HD2 LYS 25 -8.491 -8.407 -1.616 219 HD3 LYS 25 HD3 LYS 25 -10.132 -8.095 -2.188 220 HE2 LYS 25 HE2 LYS 25 -9.360 -7.122 -4.187 221 HE3 LYS 25 HE3 LYS 25 -7.718 -6.958 -3.568 222 HZ1 LYS 25 HZ1 LYS 25 -7.542 -8.786 -4.922 223 HZ2 LYS 25 HZ2 LYS 25 -9.092 -9.359 -4.562 224 HZ3 LYS 25 HZ3 LYS 25 -7.845 -9.527 -3.431 225 H GLY 26 H GLY 26 -12.347 -4.081 -0.288 226 HA2 GLY 26 HA2 GLY 26 -11.565 -2.406 -2.357 227 HA3 GLY 26 HA3 GLY 26 -13.023 -2.190 -1.400 228 H LYS 27 H LYS 27 -11.471 -1.843 1.089 229 HA LYS 27 HA LYS 27 -10.810 0.976 0.684 230 HB2 LYS 27 HB2 LYS 27 -11.063 -0.506 3.302 231 HB3 LYS 27 HB3 LYS 27 -11.068 1.236 3.055 232 HG2 LYS 27 HG2 LYS 27 -13.292 0.975 3.227 233 HG3 LYS 27 HG3 LYS 27 -13.163 0.549 1.519 234 HD2 LYS 27 HD2 LYS 27 -12.692 -1.855 2.607 235 HD3 LYS 27 HD3 LYS 27 -13.706 -1.161 3.874 236 HE2 LYS 27 HE2 LYS 27 -15.558 -1.205 2.590 237 HE3 LYS 27 HE3 LYS 27 -14.679 -0.754 1.129 238 HZ1 LYS 27 HZ1 LYS 27 -13.772 -3.120 1.225 239 HZ2 LYS 27 HZ2 LYS 27 -15.378 -2.919 0.735 240 HZ3 LYS 27 HZ3 LYS 27 -15.032 -3.439 2.307 241 H VAL 28 H VAL 28 -9.343 -2.066 1.446 242 HA VAL 28 HA VAL 28 -6.958 -1.065 2.627 243 HB VAL 28 HB VAL 28 -7.374 -3.692 1.193 244 HG11 VAL 28 HG11 VAL 28 -5.513 -4.407 2.754 245 HG12 VAL 28 HG12 VAL 28 -5.050 -3.333 1.432 246 HG13 VAL 28 HG13 VAL 28 -5.241 -2.693 3.065 247 HG21 VAL 28 HG21 VAL 28 -8.733 -4.223 2.872 248 HG22 VAL 28 HG22 VAL 28 -7.348 -4.099 3.955 249 HG23 VAL 28 HG23 VAL 28 -8.397 -2.704 3.701 250 H LEU 29 H LEU 29 -7.688 -2.262 -0.649 251 HA LEU 29 HA LEU 29 -5.196 -1.849 -1.794 252 HB2 LEU 29 HB2 LEU 29 -7.979 -1.963 -2.829 253 HB3 LEU 29 HB3 LEU 29 -6.717 -1.376 -3.910 254 HG LEU 29 HG LEU 29 -7.222 -3.776 -4.205 255 HD11 LEU 29 HD11 LEU 29 -4.470 -3.084 -3.194 256 HD12 LEU 29 HD12 LEU 29 -5.053 -2.986 -4.855 257 HD13 LEU 29 HD13 LEU 29 -4.870 -4.558 -4.077 258 HD21 LEU 29 HD21 LEU 29 -6.668 -5.384 -2.530 259 HD22 LEU 29 HD22 LEU 29 -7.749 -4.197 -1.800 260 HD23 LEU 29 HD23 LEU 29 -6.018 -4.136 -1.467 261 H GLU 30 H GLU 30 -7.654 0.441 -0.938 262 HA GLU 30 HA GLU 30 -6.514 2.577 -2.525 263 HB2 GLU 30 HB2 GLU 30 -8.757 2.489 -0.508 264 HB3 GLU 30 HB3 GLU 30 -8.225 3.975 -1.284 265 HG2 GLU 30 HG2 GLU 30 -8.660 2.780 -3.491 266 HG3 GLU 30 HG3 GLU 30 -9.523 1.579 -2.532 267 H TRP 31 H TRP 31 -6.281 1.338 0.703 268 HA TRP 31 HA TRP 31 -5.127 3.706 1.843 269 HB2 TRP 31 HB2 TRP 31 -5.428 0.864 2.794 270 HB3 TRP 31 HB3 TRP 31 -4.515 2.055 3.717 271 HD1 TRP 31 HD1 TRP 31 -6.605 4.501 3.082 272 HE1 TRP 31 HE1 TRP 31 -8.821 4.541 4.391 273 HE3 TRP 31 HE3 TRP 31 -6.795 -0.405 4.507 274 HZ2 TRP 31 HZ2 TRP 31 -10.435 2.733 5.837 275 HZ3 TRP 31 HZ3 TRP 31 -8.709 -1.169 5.852 276 HH2 TRP 31 HH2 TRP 31 -10.490 0.369 6.503 277 H LEU 32 H LEU 32 -3.960 0.935 0.130 278 HA LEU 32 HA LEU 32 -1.227 1.204 0.980 279 HB2 LEU 32 HB2 LEU 32 -2.277 -0.278 -1.420 280 HB3 LEU 32 HB3 LEU 32 -0.737 -0.526 -0.598 281 HG LEU 32 HG LEU 32 -3.222 -0.948 0.974 282 HD11 LEU 32 HD11 LEU 32 -3.037 -2.126 -1.509 283 HD12 LEU 32 HD12 LEU 32 -3.995 -2.710 -0.149 284 HD13 LEU 32 HD13 LEU 32 -2.376 -3.350 -0.425 285 HD21 LEU 32 HD21 LEU 32 -1.406 -3.032 1.295 286 HD22 LEU 32 HD22 LEU 32 -1.642 -1.653 2.370 287 HD23 LEU 32 HD23 LEU 32 -0.410 -1.589 1.108 288 H ASN 33 H ASN 33 -3.223 2.531 -1.512 289 HA ASN 33 HA ASN 33 -0.965 3.451 -3.091 290 HB2 ASN 33 HB2 ASN 33 -2.805 2.828 -4.427 291 HB3 ASN 33 HB3 ASN 33 -3.953 3.667 -3.388 292 HD21 ASN 33 HD21 ASN 33 -4.479 5.712 -3.838 293 HD22 ASN 33 HD22 ASN 33 -3.761 6.665 -5.088 294 H VAL 34 H VAL 34 -3.551 4.852 -1.103 295 HA VAL 34 HA VAL 34 -2.567 7.532 -1.383 296 HB VAL 34 HB VAL 34 -4.256 8.162 0.223 297 HG11 VAL 34 HG11 VAL 34 -5.872 7.951 -1.296 298 HG12 VAL 34 HG12 VAL 34 -4.756 6.935 -2.210 299 HG13 VAL 34 HG13 VAL 34 -5.920 6.199 -1.109 300 HG21 VAL 34 HG21 VAL 34 -4.147 5.285 0.913 301 HG22 VAL 34 HG22 VAL 34 -4.378 6.692 1.950 302 HG23 VAL 34 HG23 VAL 34 -5.725 6.069 0.998 303 H GLY 35 H GLY 35 -1.972 4.877 0.760 304 HA2 GLY 35 HA2 GLY 35 -0.796 6.527 2.834 305 HA3 GLY 35 HA3 GLY 35 -0.865 4.771 2.807 306 HA PRO 36 HA PRO 36 3.407 6.497 1.603 307 HB2 PRO 36 HB2 PRO 36 4.717 5.956 3.919 308 HB3 PRO 36 HB3 PRO 36 3.916 7.501 3.606 309 HG2 PRO 36 HG2 PRO 36 2.945 5.148 5.182 310 HG3 PRO 36 HG3 PRO 36 2.838 6.875 5.570 311 HD2 PRO 36 HD2 PRO 36 0.752 5.478 4.555 312 HD3 PRO 36 HD3 PRO 36 1.012 7.198 4.201 313 H THR 37 H THR 37 2.762 3.772 3.816 314 HA THR 37 HA THR 37 3.899 1.927 1.877 315 HB THR 37 HB THR 37 5.442 0.893 3.456 316 HG1 THR 37 HG1 THR 37 4.366 1.505 5.399 317 HG21 THR 37 HG21 THR 37 5.979 3.861 3.368 318 HG22 THR 37 HG22 THR 37 6.191 2.785 1.987 319 HG23 THR 37 HG23 THR 37 7.163 2.557 3.440 320 H LEU 38 H LEU 38 3.981 -0.370 3.207 321 HA LEU 38 HA LEU 38 1.264 -1.046 3.568 322 HB2 LEU 38 HB2 LEU 38 3.711 -2.599 4.398 323 HB3 LEU 38 HB3 LEU 38 2.083 -3.246 4.207 324 HG LEU 38 HG LEU 38 3.798 -2.142 1.982 325 HD11 LEU 38 HD11 LEU 38 4.829 -4.133 2.358 326 HD12 LEU 38 HD12 LEU 38 3.502 -4.696 1.343 327 HD13 LEU 38 HD13 LEU 38 3.403 -4.863 3.095 328 HD21 LEU 38 HD21 LEU 38 1.679 -3.784 1.072 329 HD22 LEU 38 HD22 LEU 38 1.940 -2.065 0.775 330 HD23 LEU 38 HD23 LEU 38 0.994 -2.586 2.170 331 H GLU 39 H GLU 39 3.871 -0.333 5.823 332 HA GLU 39 HA GLU 39 2.779 -1.204 8.201 333 HB2 GLU 39 HB2 GLU 39 5.034 0.083 7.589 334 HB3 GLU 39 HB3 GLU 39 4.120 1.453 8.205 335 HG2 GLU 39 HG2 GLU 39 5.009 0.816 10.162 336 HG3 GLU 39 HG3 GLU 39 3.657 -0.316 10.167 337 H TRP 40 H TRP 40 2.415 2.041 6.768 338 HA TRP 40 HA TRP 40 0.704 3.136 8.637 339 HB2 TRP 40 HB2 TRP 40 1.746 4.379 6.757 340 HB3 TRP 40 HB3 TRP 40 0.615 3.606 5.650 341 HD1 TRP 40 HD1 TRP 40 0.629 6.090 8.607 342 HE1 TRP 40 HE1 TRP 40 -1.451 7.592 8.401 343 HE3 TRP 40 HE3 TRP 40 -1.631 3.807 4.630 344 HZ2 TRP 40 HZ2 TRP 40 -3.746 7.783 6.770 345 HZ3 TRP 40 HZ3 TRP 40 -3.767 4.711 3.809 346 HH2 TRP 40 HH2 TRP 40 -4.801 6.657 4.858 347 H VAL 41 H VAL 41 -0.221 1.467 5.624 348 HA VAL 41 HA VAL 41 -2.964 1.555 5.898 349 HB VAL 41 HB VAL 41 -1.372 -0.762 4.790 350 HG11 VAL 41 HG11 VAL 41 -3.298 -1.700 4.195 351 HG12 VAL 41 HG12 VAL 41 -4.123 -0.505 5.198 352 HG13 VAL 41 HG13 VAL 41 -3.874 -0.194 3.480 353 HG21 VAL 41 HG21 VAL 41 -1.913 1.951 3.793 354 HG22 VAL 41 HG22 VAL 41 -0.617 0.827 3.383 355 HG23 VAL 41 HG23 VAL 41 -2.206 0.651 2.637 356 H TRP 42 H TRP 42 -0.744 -0.939 7.127 357 HA TRP 42 HA TRP 42 -2.615 -2.639 8.268 358 HB2 TRP 42 HB2 TRP 42 -0.357 -3.374 8.134 359 HB3 TRP 42 HB3 TRP 42 0.223 -1.991 9.057 360 HD1 TRP 42 HD1 TRP 42 1.033 -2.803 11.336 361 HE1 TRP 42 HE1 TRP 42 0.208 -4.482 13.104 362 HE3 TRP 42 HE3 TRP 42 -3.063 -4.624 8.878 363 HZ2 TRP 42 HZ2 TRP 42 -1.899 -6.334 13.415 364 HZ3 TRP 42 HZ3 TRP 42 -4.430 -6.348 9.979 365 HH2 TRP 42 HH2 TRP 42 -3.858 -7.185 12.201 366 H GLN 43 H GLN 43 -1.478 0.457 9.344 367 HA GLN 43 HA GLN 43 -2.477 0.159 12.034 368 HB2 GLN 43 HB2 GLN 43 -1.570 2.649 10.580 369 HB3 GLN 43 HB3 GLN 43 -1.841 2.502 12.311 370 HG2 GLN 43 HG2 GLN 43 0.100 0.661 11.018 371 HG3 GLN 43 HG3 GLN 43 0.567 2.341 11.276 372 HE21 GLN 43 HE21 GLN 43 -0.042 -0.709 12.728 373 HE22 GLN 43 HE22 GLN 43 0.410 -0.281 14.340 374 H LYS 44 H LYS 44 -3.647 1.330 8.985 375 HA LYS 44 HA LYS 44 -5.905 2.720 10.149 376 HB2 LYS 44 HB2 LYS 44 -4.831 2.304 7.402 377 HB3 LYS 44 HB3 LYS 44 -6.545 2.665 7.562 378 HG2 LYS 44 HG2 LYS 44 -4.614 4.391 9.013 379 HG3 LYS 44 HG3 LYS 44 -4.743 4.565 7.261 380 HD2 LYS 44 HD2 LYS 44 -7.336 4.576 7.843 381 HD3 LYS 44 HD3 LYS 44 -6.726 5.171 9.389 382 HE2 LYS 44 HE2 LYS 44 -5.384 6.851 8.011 383 HE3 LYS 44 HE3 LYS 44 -6.413 6.385 6.657 384 HZ1 LYS 44 HZ1 LYS 44 -8.348 7.026 7.979 385 HZ2 LYS 44 HZ2 LYS 44 -7.292 8.328 7.757 386 HZ3 LYS 44 HZ3 LYS 44 -7.337 7.520 9.242 387 H LEU 45 H LEU 45 -5.250 -0.329 8.519 388 HA LEU 45 HA LEU 45 -7.962 -1.122 8.235 389 HB2 LEU 45 HB2 LEU 45 -6.443 -2.207 6.833 390 HB3 LEU 45 HB3 LEU 45 -5.337 -2.565 8.157 391 HG LEU 45 HG LEU 45 -7.013 -4.199 9.022 392 HD11 LEU 45 HD11 LEU 45 -8.790 -2.947 7.421 393 HD12 LEU 45 HD12 LEU 45 -8.999 -4.585 8.041 394 HD13 LEU 45 HD13 LEU 45 -8.366 -4.332 6.414 395 HD21 LEU 45 HD21 LEU 45 -5.138 -4.470 7.018 396 HD22 LEU 45 HD22 LEU 45 -6.575 -5.239 6.343 397 HD23 LEU 45 HD23 LEU 45 -5.927 -5.784 7.891 398 H LYS 46 H LYS 46 -5.448 -1.954 10.609 399 HA LYS 46 HA LYS 46 -6.867 -3.723 12.182 400 HB2 LYS 46 HB2 LYS 46 -4.399 -2.775 12.328 401 HB3 LYS 46 HB3 LYS 46 -5.120 -1.711 13.530 402 HG2 LYS 46 HG2 LYS 46 -6.012 -3.830 14.628 403 HG3 LYS 46 HG3 LYS 46 -4.890 -4.701 13.579 404 HD2 LYS 46 HD2 LYS 46 -3.229 -2.837 14.570 405 HD3 LYS 46 HD3 LYS 46 -4.358 -2.975 15.920 406 HE2 LYS 46 HE2 LYS 46 -3.961 -5.575 15.405 407 HE3 LYS 46 HE3 LYS 46 -2.415 -4.933 14.852 408 HZ1 LYS 46 HZ1 LYS 46 -2.503 -3.699 17.128 409 HZ2 LYS 46 HZ2 LYS 46 -1.983 -5.307 17.051 410 HZ3 LYS 46 HZ3 LYS 46 -3.559 -4.951 17.554 411 H LYS 47 H LYS 47 -7.128 -0.253 11.988 412 HA LYS 47 HA LYS 47 -8.554 0.164 14.399 413 HB2 LYS 47 HB2 LYS 47 -7.394 1.934 13.034 414 HB3 LYS 47 HB3 LYS 47 -8.720 1.828 11.884 415 HG2 LYS 47 HG2 LYS 47 -9.420 3.590 13.144 416 HG3 LYS 47 HG3 LYS 47 -10.180 2.264 14.026 417 HD2 LYS 47 HD2 LYS 47 -8.543 2.315 15.719 418 HD3 LYS 47 HD3 LYS 47 -7.454 3.308 14.747 419 HE2 LYS 47 HE2 LYS 47 -10.158 4.294 15.602 420 HE3 LYS 47 HE3 LYS 47 -8.744 4.449 16.643 421 HZ1 LYS 47 HZ1 LYS 47 -7.641 5.705 14.904 422 HZ2 LYS 47 HZ2 LYS 47 -9.104 6.442 15.324 423 HZ3 LYS 47 HZ3 LYS 47 -8.989 5.547 13.894 424 H ILE 48 H ILE 48 -9.689 -0.015 11.022 425 HA ILE 48 HA ILE 48 -12.440 0.000 11.710 426 HB ILE 48 HB ILE 48 -11.736 0.676 9.493 427 HG12 ILE 48 HG12 ILE 48 -13.310 -1.894 9.266 428 HG13 ILE 48 HG13 ILE 48 -13.991 -0.380 9.851 429 HG21 ILE 48 HG21 ILE 48 -10.984 -1.099 7.869 430 HG22 ILE 48 HG22 ILE 48 -9.814 -0.652 9.110 431 HG23 ILE 48 HG23 ILE 48 -10.733 -2.150 9.263 432 HD11 ILE 48 HD11 ILE 48 -14.008 -1.237 7.263 433 HD12 ILE 48 HD12 ILE 48 -14.226 0.432 7.791 434 HD13 ILE 48 HD13 ILE 48 -12.634 -0.132 7.284 435 H ALA 49 H ALA 49 -10.047 -2.503 11.463 436 HA ALA 49 HA ALA 49 -11.929 -4.673 11.331 437 HB1 ALA 49 HB1 ALA 49 -9.742 -4.961 10.356 438 HB2 ALA 49 HB2 ALA 49 -8.970 -4.646 11.911 439 HB3 ALA 49 HB3 ALA 49 -9.943 -6.100 11.688 440 H GLY 50 H GLY 50 -10.356 -2.843 13.833 441 HA2 GLY 50 HA2 GLY 50 -10.543 -2.894 16.120 442 HA3 GLY 50 HA3 GLY 50 -12.068 -3.728 15.861 443 H LEU 51 H LEU 51 -8.975 -4.980 14.790 444 HA LEU 51 HA LEU 51 -9.354 -7.510 15.891 445 HB2 LEU 51 HB2 LEU 51 -6.708 -6.200 15.294 446 HB3 LEU 51 HB3 LEU 51 -7.034 -7.930 15.386 447 HG LEU 51 HG LEU 51 -8.184 -6.076 13.302 448 HD11 LEU 51 HD11 LEU 51 -6.014 -6.119 12.619 449 HD12 LEU 51 HD12 LEU 51 -6.564 -7.631 11.898 450 HD13 LEU 51 HD13 LEU 51 -5.673 -7.653 13.420 451 HD21 LEU 51 HD21 LEU 51 -8.125 -9.088 13.415 452 HD22 LEU 51 HD22 LEU 51 -8.904 -8.081 12.194 453 HD23 LEU 51 HD23 LEU 51 -9.519 -8.098 13.847 Start of MODEL 7 1 H1 MET 1 H MET 1 1.804 -0.263 -0.043 2 HA MET 1 HA MET 1 3.333 0.418 -2.395 3 HB2 MET 1 HB2 MET 1 4.513 -0.223 -0.372 4 HB3 MET 1 HB3 MET 1 3.682 -1.772 -0.342 5 HG2 MET 1 HG2 MET 1 4.935 -2.636 -2.053 6 HG3 MET 1 HG3 MET 1 5.291 -1.052 -2.736 7 HE1 MET 1 HE1 MET 1 7.195 -2.405 1.234 8 HE2 MET 1 HE2 MET 1 5.717 -1.446 1.147 9 HE3 MET 1 HE3 MET 1 5.730 -3.105 0.546 10 H SER 2 H SER 2 2.147 -2.747 -1.261 11 HA SER 2 HA SER 2 1.026 -3.282 -3.897 12 HB2 SER 2 HB2 SER 2 3.380 -4.712 -2.720 13 HB3 SER 2 HB3 SER 2 2.236 -5.613 -3.715 14 HG SER 2 HG SER 2 3.148 -4.755 -5.387 15 H TRP 3 H TRP 3 -0.027 -5.536 -3.886 16 HA TRP 3 HA TRP 3 -1.683 -5.675 -1.508 17 HB2 TRP 3 HB2 TRP 3 -2.844 -5.779 -3.607 18 HB3 TRP 3 HB3 TRP 3 -1.812 -7.088 -4.176 19 HD1 TRP 3 HD1 TRP 3 -2.934 -9.374 -4.057 20 HE1 TRP 3 HE1 TRP 3 -4.778 -10.462 -2.628 21 HE3 TRP 3 HE3 TRP 3 -3.924 -5.474 -0.903 22 HZ2 TRP 3 HZ2 TRP 3 -6.433 -9.759 -0.453 23 HZ3 TRP 3 HZ3 TRP 3 -5.653 -5.763 0.823 24 HH2 TRP 3 HH2 TRP 3 -6.881 -7.862 1.042 25 H LEU 4 H LEU 4 -0.008 -8.137 -3.480 26 HA LEU 4 HA LEU 4 -0.148 -10.226 -1.684 27 HB2 LEU 4 HB2 LEU 4 2.077 -9.584 -3.613 28 HB3 LEU 4 HB3 LEU 4 1.837 -11.143 -2.828 29 HG LEU 4 HG LEU 4 -0.187 -9.895 -4.678 30 HD11 LEU 4 HD11 LEU 4 1.602 -12.132 -5.502 31 HD12 LEU 4 HD12 LEU 4 2.182 -10.471 -5.621 32 HD13 LEU 4 HD13 LEU 4 0.729 -10.962 -6.492 33 HD21 LEU 4 HD21 LEU 4 -0.153 -12.763 -4.519 34 HD22 LEU 4 HD22 LEU 4 -1.465 -11.637 -4.167 35 HD23 LEU 4 HD23 LEU 4 -0.306 -12.063 -2.907 36 H ASN 5 H ASN 5 2.380 -7.749 -1.967 37 HA ASN 5 HA ASN 5 4.103 -8.715 0.002 38 HB2 ASN 5 HB2 ASN 5 3.578 -5.824 -0.723 39 HB3 ASN 5 HB3 ASN 5 5.006 -6.442 0.102 40 HD21 ASN 5 HD21 ASN 5 5.597 -5.059 -1.994 41 HD22 ASN 5 HD22 ASN 5 6.009 -6.038 -3.357 42 H PHE 6 H PHE 6 1.362 -6.481 0.271 43 HA PHE 6 HA PHE 6 1.611 -5.814 2.957 44 HB2 PHE 6 HB2 PHE 6 0.041 -4.631 1.584 45 HB3 PHE 6 HB3 PHE 6 -0.848 -6.108 1.229 46 HD1 PHE 6 HD1 PHE 6 0.237 -4.119 4.195 47 HD2 PHE 6 HD2 PHE 6 -2.814 -6.447 2.355 48 HE1 PHE 6 HE1 PHE 6 -1.248 -3.675 6.105 49 HE2 PHE 6 HE2 PHE 6 -4.305 -6.007 4.262 50 HZ PHE 6 HZ PHE 6 -3.523 -4.619 6.140 51 H LEU 7 H LEU 7 -0.622 -8.262 1.629 52 HA LEU 7 HA LEU 7 -1.415 -9.393 4.018 53 HB2 LEU 7 HB2 LEU 7 -0.979 -10.862 1.423 54 HB3 LEU 7 HB3 LEU 7 -2.028 -11.362 2.748 55 HG LEU 7 HG LEU 7 -2.428 -8.966 0.957 56 HD11 LEU 7 HD11 LEU 7 -3.233 -11.740 0.788 57 HD12 LEU 7 HD12 LEU 7 -3.367 -10.449 -0.406 58 HD13 LEU 7 HD13 LEU 7 -4.621 -10.652 0.817 59 HD21 LEU 7 HD21 LEU 7 -3.884 -9.944 3.391 60 HD22 LEU 7 HD22 LEU 7 -4.694 -8.980 2.155 61 HD23 LEU 7 HD23 LEU 7 -3.308 -8.318 3.022 62 H LYS 8 H LYS 8 1.507 -9.954 2.165 63 HA LYS 8 HA LYS 8 2.367 -12.264 3.573 64 HB2 LYS 8 HB2 LYS 8 3.763 -10.247 1.832 65 HB3 LYS 8 HB3 LYS 8 4.659 -11.525 2.642 66 HG2 LYS 8 HG2 LYS 8 2.315 -12.075 0.845 67 HG3 LYS 8 HG3 LYS 8 3.976 -11.968 0.255 68 HD2 LYS 8 HD2 LYS 8 4.519 -13.713 2.057 69 HD3 LYS 8 HD3 LYS 8 2.775 -13.972 2.143 70 HE2 LYS 8 HE2 LYS 8 2.748 -14.470 -0.262 71 HE3 LYS 8 HE3 LYS 8 4.495 -14.241 -0.322 72 HZ1 LYS 8 HZ1 LYS 8 3.502 -16.608 -0.064 73 HZ2 LYS 8 HZ2 LYS 8 3.363 -16.186 1.568 74 HZ3 LYS 8 HZ3 LYS 8 4.880 -16.176 0.819 75 H TYR 9 H TYR 9 2.771 -8.815 4.078 76 HA TYR 9 HA TYR 9 4.754 -9.065 6.119 77 HB2 TYR 9 HB2 TYR 9 4.660 -6.997 4.928 78 HB3 TYR 9 HB3 TYR 9 2.948 -6.794 5.283 79 HD1 TYR 9 HD1 TYR 9 5.954 -7.522 7.390 80 HD2 TYR 9 HD2 TYR 9 2.610 -4.991 6.676 81 HE1 TYR 9 HE1 TYR 9 6.532 -6.206 9.386 82 HE2 TYR 9 HE2 TYR 9 3.178 -3.667 8.669 83 HH TYR 9 HH TYR 9 6.143 -4.223 10.460 84 H ILE 10 H ILE 10 1.292 -8.212 6.210 85 HA ILE 10 HA ILE 10 1.097 -8.255 9.030 86 HB ILE 10 HB ILE 10 -1.342 -8.318 8.684 87 HG12 ILE 10 HG12 ILE 10 -0.795 -8.346 5.721 88 HG13 ILE 10 HG13 ILE 10 -1.111 -9.828 6.617 89 HG21 ILE 10 HG21 ILE 10 0.466 -6.376 7.428 90 HG22 ILE 10 HG22 ILE 10 -1.210 -6.291 6.890 91 HG23 ILE 10 HG23 ILE 10 -0.826 -6.132 8.603 92 HD11 ILE 10 HD11 ILE 10 -3.117 -8.990 5.530 93 HD12 ILE 10 HD12 ILE 10 -3.286 -8.964 7.286 94 HD13 ILE 10 HD13 ILE 10 -2.966 -7.468 6.409 95 H ALA 11 H ALA 11 1.132 -10.747 6.666 96 HA ALA 11 HA ALA 11 -0.380 -12.760 7.793 97 HB1 ALA 11 HB1 ALA 11 1.521 -14.267 6.795 98 HB2 ALA 11 HB2 ALA 11 0.463 -13.331 5.738 99 HB3 ALA 11 HB3 ALA 11 2.082 -12.740 6.114 100 H LYS 12 H LYS 12 2.719 -11.513 8.801 101 HA LYS 12 HA LYS 12 3.590 -13.613 10.426 102 HB2 LYS 12 HB2 LYS 12 5.050 -12.032 11.464 103 HB3 LYS 12 HB3 LYS 12 4.915 -11.582 9.769 104 HG2 LYS 12 HG2 LYS 12 4.614 -9.528 10.626 105 HG3 LYS 12 HG3 LYS 12 2.945 -10.075 10.800 106 HD2 LYS 12 HD2 LYS 12 3.092 -10.236 13.057 107 HD3 LYS 12 HD3 LYS 12 4.784 -10.739 13.018 108 HE2 LYS 12 HE2 LYS 12 4.090 -7.951 12.226 109 HE3 LYS 12 HE3 LYS 12 4.085 -8.374 13.937 110 HZ1 LYS 12 HZ1 LYS 12 6.299 -7.958 12.173 111 HZ2 LYS 12 HZ2 LYS 12 6.416 -9.427 13.004 112 HZ3 LYS 12 HZ3 LYS 12 6.259 -7.980 13.865 113 H TYR 13 H TYR 13 1.246 -11.075 11.002 114 HA TYR 13 HA TYR 13 1.028 -11.353 13.797 115 HB2 TYR 13 HB2 TYR 13 -1.015 -10.429 11.767 116 HB3 TYR 13 HB3 TYR 13 -1.188 -10.254 13.509 117 HD1 TYR 13 HD2 TYR 13 1.002 -9.116 14.633 118 HD2 TYR 13 HD1 TYR 13 -0.311 -8.562 10.624 119 HE1 TYR 13 HE2 TYR 13 2.206 -6.973 14.541 120 HE2 TYR 13 HE1 TYR 13 0.890 -6.418 10.521 121 HH TYR 13 HH TYR 13 3.038 -5.390 13.077 122 H GLY 14 H GLY 14 -0.654 -12.940 11.117 123 HA2 GLY 14 HA2 GLY 14 -1.023 -15.407 11.962 124 HA3 GLY 14 HA3 GLY 14 -2.172 -14.581 13.005 125 H LYS 15 H LYS 15 -3.742 -15.997 11.948 126 HA LYS 15 HA LYS 15 -4.411 -15.244 9.198 127 HB2 LYS 15 HB2 LYS 15 -5.529 -17.440 10.952 128 HB3 LYS 15 HB3 LYS 15 -5.958 -17.161 9.270 129 HG2 LYS 15 HG2 LYS 15 -3.966 -17.967 8.481 130 HG3 LYS 15 HG3 LYS 15 -3.095 -17.576 9.966 131 HD2 LYS 15 HD2 LYS 15 -3.242 -19.895 10.040 132 HD3 LYS 15 HD3 LYS 15 -4.598 -19.381 11.046 133 HE2 LYS 15 HE2 LYS 15 -5.652 -20.924 9.733 134 HE3 LYS 15 HE3 LYS 15 -5.887 -19.483 8.744 135 HZ1 LYS 15 HZ1 LYS 15 -3.450 -21.002 8.270 136 HZ2 LYS 15 HZ2 LYS 15 -4.470 -20.221 7.170 137 HZ3 LYS 15 HZ3 LYS 15 -4.895 -21.738 7.788 138 H LYS 16 H LYS 16 -4.862 -13.527 11.592 139 HA LYS 16 HA LYS 16 -7.793 -13.393 11.621 140 HB2 LYS 16 HB2 LYS 16 -5.675 -12.224 13.418 141 HB3 LYS 16 HB3 LYS 16 -7.351 -11.697 13.486 142 HG2 LYS 16 HG2 LYS 16 -8.097 -13.795 14.223 143 HG3 LYS 16 HG3 LYS 16 -6.583 -14.583 13.773 144 HD2 LYS 16 HD2 LYS 16 -5.491 -13.026 15.498 145 HD3 LYS 16 HD3 LYS 16 -7.133 -12.742 16.081 146 HE2 LYS 16 HE2 LYS 16 -6.199 -15.547 15.698 147 HE3 LYS 16 HE3 LYS 16 -5.633 -14.647 17.105 148 HZ1 LYS 16 HZ1 LYS 16 -8.269 -15.695 16.518 149 HZ2 LYS 16 HZ2 LYS 16 -8.253 -14.140 17.182 150 HZ3 LYS 16 HZ3 LYS 16 -7.520 -15.420 18.010 151 H ALA 17 H ALA 17 -4.935 -11.331 11.161 152 HA ALA 17 HA ALA 17 -6.432 -9.052 10.331 153 HB1 ALA 17 HB1 ALA 17 -4.308 -8.609 11.233 154 HB2 ALA 17 HB2 ALA 17 -3.519 -9.772 10.167 155 HB3 ALA 17 HB3 ALA 17 -4.157 -8.265 9.510 156 H VAL 18 H VAL 18 -4.952 -11.767 8.677 157 HA VAL 18 HA VAL 18 -4.938 -10.809 6.062 158 HB VAL 18 HB VAL 18 -3.882 -12.924 6.700 159 HG11 VAL 18 HG11 VAL 18 -5.698 -13.657 8.241 160 HG12 VAL 18 HG12 VAL 18 -6.663 -14.081 6.826 161 HG13 VAL 18 HG13 VAL 18 -5.140 -14.915 7.139 162 HG21 VAL 18 HG21 VAL 18 -4.274 -12.632 4.371 163 HG22 VAL 18 HG22 VAL 18 -4.706 -14.297 4.762 164 HG23 VAL 18 HG23 VAL 18 -5.970 -13.088 4.535 165 H SER 19 H SER 19 -7.557 -12.121 7.996 166 HA SER 19 HA SER 19 -9.410 -12.388 5.846 167 HB2 SER 19 HB2 SER 19 -9.508 -13.553 8.119 168 HB3 SER 19 HB3 SER 19 -10.138 -12.033 8.753 169 HG SER 19 HG SER 19 -11.807 -12.216 7.130 170 H ALA 20 H ALA 20 -9.052 -9.980 8.446 171 HA ALA 20 HA ALA 20 -11.121 -8.282 7.774 172 HB1 ALA 20 HB1 ALA 20 -9.342 -6.489 8.654 173 HB2 ALA 20 HB2 ALA 20 -10.188 -7.608 9.724 174 HB3 ALA 20 HB3 ALA 20 -8.545 -7.968 9.192 175 H ALA 21 H ALA 21 -7.966 -8.615 6.286 176 HA ALA 21 HA ALA 21 -8.098 -6.232 4.729 177 HB1 ALA 21 HB1 ALA 21 -6.472 -8.593 3.895 178 HB2 ALA 21 HB2 ALA 21 -6.082 -6.875 3.816 179 HB3 ALA 21 HB3 ALA 21 -6.051 -7.716 5.365 180 H TRP 22 H TRP 22 -8.938 -9.613 4.144 181 HA TRP 22 HA TRP 22 -9.520 -9.315 1.387 182 HB2 TRP 22 HB2 TRP 22 -10.087 -11.380 3.469 183 HB3 TRP 22 HB3 TRP 22 -10.982 -11.449 1.954 184 HD1 TRP 22 HD1 TRP 22 -7.897 -12.693 3.462 185 HE1 TRP 22 HE1 TRP 22 -6.269 -13.562 1.668 186 HE3 TRP 22 HE3 TRP 22 -10.114 -10.687 -0.685 187 HZ2 TRP 22 HZ2 TRP 22 -5.965 -13.416 -1.134 188 HZ3 TRP 22 HZ3 TRP 22 -9.091 -11.098 -2.884 189 HH2 TRP 22 HH2 TRP 22 -7.059 -12.435 -3.103 190 H LYS 23 H LYS 23 -11.468 -9.051 4.315 191 HA LYS 23 HA LYS 23 -13.968 -8.800 2.990 192 HB2 LYS 23 HB2 LYS 23 -13.359 -9.302 5.513 193 HB3 LYS 23 HB3 LYS 23 -13.490 -7.555 5.664 194 HG2 LYS 23 HG2 LYS 23 -15.777 -7.828 4.534 195 HG3 LYS 23 HG3 LYS 23 -15.607 -9.540 4.930 196 HD2 LYS 23 HD2 LYS 23 -15.045 -8.608 7.319 197 HD3 LYS 23 HD3 LYS 23 -15.922 -7.188 6.741 198 HE2 LYS 23 HE2 LYS 23 -17.528 -8.536 7.818 199 HE3 LYS 23 HE3 LYS 23 -17.785 -8.778 6.091 200 HZ1 LYS 23 HZ1 LYS 23 -15.993 -10.711 6.753 201 HZ2 LYS 23 HZ2 LYS 23 -17.658 -10.936 6.559 202 HZ3 LYS 23 HZ3 LYS 23 -17.015 -10.670 8.101 203 H TYR 24 H TYR 24 -11.770 -6.405 4.441 204 HA TYR 24 HA TYR 24 -13.279 -4.267 3.125 205 HB2 TYR 24 HB2 TYR 24 -11.005 -3.941 5.082 206 HB3 TYR 24 HB3 TYR 24 -12.207 -2.743 4.615 207 HD1 TYR 24 HD1 TYR 24 -14.726 -4.153 4.870 208 HD2 TYR 24 HD2 TYR 24 -11.271 -4.347 7.346 209 HE1 TYR 24 HE1 TYR 24 -16.135 -4.819 6.773 210 HE2 TYR 24 HE2 TYR 24 -12.670 -5.016 9.255 211 HH TYR 24 HH TYR 24 -14.790 -5.185 10.014 212 H LYS 25 H LYS 25 -11.674 -6.009 1.537 213 HA LYS 25 HA LYS 25 -9.124 -5.146 0.930 214 HB2 LYS 25 HB2 LYS 25 -10.499 -7.105 -0.047 215 HB3 LYS 25 HB3 LYS 25 -11.069 -5.931 -1.225 216 HG2 LYS 25 HG2 LYS 25 -8.941 -5.646 -2.145 217 HG3 LYS 25 HG3 LYS 25 -8.143 -6.377 -0.751 218 HD2 LYS 25 HD2 LYS 25 -8.080 -7.970 -2.523 219 HD3 LYS 25 HD3 LYS 25 -9.276 -8.534 -1.354 220 HE2 LYS 25 HE2 LYS 25 -11.042 -8.106 -2.751 221 HE3 LYS 25 HE3 LYS 25 -10.193 -6.820 -3.607 222 HZ1 LYS 25 HZ1 LYS 25 -9.341 -8.254 -5.079 223 HZ2 LYS 25 HZ2 LYS 25 -10.582 -9.288 -4.577 224 HZ3 LYS 25 HZ3 LYS 25 -9.031 -9.447 -3.920 225 H GLY 26 H GLY 26 -12.211 -3.914 -0.328 226 HA2 GLY 26 HA2 GLY 26 -11.249 -2.076 -2.167 227 HA3 GLY 26 HA3 GLY 26 -12.748 -1.890 -1.270 228 H LYS 27 H LYS 27 -11.320 -1.867 1.318 229 HA LYS 27 HA LYS 27 -10.656 0.960 1.305 230 HB2 LYS 27 HB2 LYS 27 -11.354 -1.063 3.371 231 HB3 LYS 27 HB3 LYS 27 -10.359 0.296 3.878 232 HG2 LYS 27 HG2 LYS 27 -12.226 1.675 2.618 233 HG3 LYS 27 HG3 LYS 27 -13.187 0.240 2.982 234 HD2 LYS 27 HD2 LYS 27 -12.486 0.473 5.369 235 HD3 LYS 27 HD3 LYS 27 -11.723 2.006 4.941 236 HE2 LYS 27 HE2 LYS 27 -13.799 2.675 5.722 237 HE3 LYS 27 HE3 LYS 27 -14.048 2.613 3.977 238 HZ1 LYS 27 HZ1 LYS 27 -15.186 0.960 6.069 239 HZ2 LYS 27 HZ2 LYS 27 -14.712 0.129 4.674 240 HZ3 LYS 27 HZ3 LYS 27 -15.826 1.398 4.566 241 H VAL 28 H VAL 28 -9.080 -2.133 1.721 242 HA VAL 28 HA VAL 28 -6.635 -1.104 2.769 243 HB VAL 28 HB VAL 28 -7.028 -3.717 1.310 244 HG11 VAL 28 HG11 VAL 28 -5.077 -4.459 2.399 245 HG12 VAL 28 HG12 VAL 28 -4.690 -2.847 1.794 246 HG13 VAL 28 HG13 VAL 28 -5.070 -3.083 3.501 247 HG21 VAL 28 HG21 VAL 28 -7.982 -2.819 3.925 248 HG22 VAL 28 HG22 VAL 28 -8.486 -4.196 2.946 249 HG23 VAL 28 HG23 VAL 28 -7.059 -4.321 3.975 250 H LEU 29 H LEU 29 -7.582 -2.286 -0.456 251 HA LEU 29 HA LEU 29 -5.189 -1.823 -1.778 252 HB2 LEU 29 HB2 LEU 29 -8.040 -1.966 -2.607 253 HB3 LEU 29 HB3 LEU 29 -6.866 -1.356 -3.772 254 HG LEU 29 HG LEU 29 -7.394 -3.778 -4.010 255 HD11 LEU 29 HD11 LEU 29 -4.580 -2.919 -3.394 256 HD12 LEU 29 HD12 LEU 29 -5.368 -3.034 -4.967 257 HD13 LEU 29 HD13 LEU 29 -4.976 -4.500 -4.068 258 HD21 LEU 29 HD21 LEU 29 -6.568 -5.360 -2.407 259 HD22 LEU 29 HD22 LEU 29 -7.628 -4.222 -1.575 260 HD23 LEU 29 HD23 LEU 29 -5.877 -4.071 -1.422 261 H GLU 30 H GLU 30 -7.616 0.421 -0.726 262 HA GLU 30 HA GLU 30 -6.761 2.588 -2.399 263 HB2 GLU 30 HB2 GLU 30 -8.637 2.311 -0.080 264 HB3 GLU 30 HB3 GLU 30 -8.136 3.911 -0.607 265 HG2 GLU 30 HG2 GLU 30 -9.548 1.837 -2.266 266 HG3 GLU 30 HG3 GLU 30 -10.238 3.326 -1.624 267 H TRP 31 H TRP 31 -6.241 1.644 0.973 268 HA TRP 31 HA TRP 31 -4.666 3.922 1.634 269 HB2 TRP 31 HB2 TRP 31 -4.915 1.216 2.963 270 HB3 TRP 31 HB3 TRP 31 -4.032 2.579 3.647 271 HD1 TRP 31 HD1 TRP 31 -6.208 4.846 2.936 272 HE1 TRP 31 HE1 TRP 31 -8.387 4.935 4.302 273 HE3 TRP 31 HE3 TRP 31 -6.241 0.056 4.722 274 HZ2 TRP 31 HZ2 TRP 31 -9.918 3.203 5.922 275 HZ3 TRP 31 HZ3 TRP 31 -8.098 -0.648 6.174 276 HH2 TRP 31 HH2 TRP 31 -9.898 0.895 6.761 277 H LEU 32 H LEU 32 -4.009 0.902 0.092 278 HA LEU 32 HA LEU 32 -1.215 0.796 0.607 279 HB2 LEU 32 HB2 LEU 32 -2.917 -0.448 -1.543 280 HB3 LEU 32 HB3 LEU 32 -1.196 -0.776 -1.347 281 HG LEU 32 HG LEU 32 -3.130 -1.280 0.890 282 HD11 LEU 32 HD11 LEU 32 -3.321 -2.511 -1.599 283 HD12 LEU 32 HD12 LEU 32 -4.015 -3.071 -0.078 284 HD13 LEU 32 HD13 LEU 32 -2.432 -3.654 -0.591 285 HD21 LEU 32 HD21 LEU 32 -0.308 -1.737 0.342 286 HD22 LEU 32 HD22 LEU 32 -1.150 -3.193 0.872 287 HD23 LEU 32 HD23 LEU 32 -1.181 -1.742 1.875 288 H ASN 33 H ASN 33 -3.181 2.537 -1.639 289 HA ASN 33 HA ASN 33 -0.859 3.264 -3.267 290 HB2 ASN 33 HB2 ASN 33 -2.807 2.637 -4.542 291 HB3 ASN 33 HB3 ASN 33 -3.817 3.765 -3.642 292 HD21 ASN 33 HD21 ASN 33 -4.449 5.156 -5.159 293 HD22 ASN 33 HD22 ASN 33 -3.389 6.080 -6.163 294 H VAL 34 H VAL 34 -3.621 4.968 -1.778 295 HA VAL 34 HA VAL 34 -2.451 7.523 -1.898 296 HB VAL 34 HB VAL 34 -4.185 8.251 -0.377 297 HG11 VAL 34 HG11 VAL 34 -6.088 7.686 -1.659 298 HG12 VAL 34 HG12 VAL 34 -4.718 7.619 -2.769 299 HG13 VAL 34 HG13 VAL 34 -5.406 6.128 -2.123 300 HG21 VAL 34 HG21 VAL 34 -4.541 6.859 1.356 301 HG22 VAL 34 HG22 VAL 34 -5.758 6.150 0.296 302 HG23 VAL 34 HG23 VAL 34 -4.158 5.419 0.413 303 H GLY 35 H GLY 35 -2.059 4.900 0.329 304 HA2 GLY 35 HA2 GLY 35 -0.954 6.530 2.445 305 HA3 GLY 35 HA3 GLY 35 -1.016 4.774 2.401 306 HA PRO 36 HA PRO 36 3.302 6.523 1.411 307 HB2 PRO 36 HB2 PRO 36 4.502 5.986 3.786 308 HB3 PRO 36 HB3 PRO 36 3.710 7.527 3.437 309 HG2 PRO 36 HG2 PRO 36 2.675 5.169 4.962 310 HG3 PRO 36 HG3 PRO 36 2.542 6.895 5.346 311 HD2 PRO 36 HD2 PRO 36 0.513 5.490 4.231 312 HD3 PRO 36 HD3 PRO 36 0.783 7.211 3.891 313 H THR 37 H THR 37 2.569 3.794 3.591 314 HA THR 37 HA THR 37 3.674 1.914 1.702 315 HB THR 37 HB THR 37 5.166 0.955 3.634 316 HG1 THR 37 HG1 THR 37 5.395 3.712 4.244 317 HG21 THR 37 HG21 THR 37 6.198 3.422 2.263 318 HG22 THR 37 HG22 THR 37 5.836 1.948 1.366 319 HG23 THR 37 HG23 THR 37 7.056 1.929 2.639 320 H LEU 38 H LEU 38 3.766 -0.358 2.884 321 HA LEU 38 HA LEU 38 1.160 -1.068 3.523 322 HB2 LEU 38 HB2 LEU 38 3.623 -2.542 4.429 323 HB3 LEU 38 HB3 LEU 38 2.019 -3.212 4.144 324 HG LEU 38 HG LEU 38 3.841 -2.099 2.011 325 HD11 LEU 38 HD11 LEU 38 4.918 -4.043 2.390 326 HD12 LEU 38 HD12 LEU 38 3.593 -4.711 1.439 327 HD13 LEU 38 HD13 LEU 38 3.536 -4.781 3.200 328 HD21 LEU 38 HD21 LEU 38 1.906 -3.778 0.911 329 HD22 LEU 38 HD22 LEU 38 1.994 -2.022 0.777 330 HD23 LEU 38 HD23 LEU 38 1.035 -2.762 2.060 331 H GLU 39 H GLU 39 3.780 -0.017 5.592 332 HA GLU 39 HA GLU 39 2.903 -0.827 8.078 333 HB2 GLU 39 HB2 GLU 39 4.997 0.581 7.309 334 HB3 GLU 39 HB3 GLU 39 3.982 1.942 7.765 335 HG2 GLU 39 HG2 GLU 39 3.864 1.233 10.008 336 HG3 GLU 39 HG3 GLU 39 4.527 -0.353 9.620 337 H TRP 40 H TRP 40 2.028 2.147 6.336 338 HA TRP 40 HA TRP 40 0.273 3.140 8.306 339 HB2 TRP 40 HB2 TRP 40 1.270 4.444 6.389 340 HB3 TRP 40 HB3 TRP 40 0.096 3.661 5.335 341 HD1 TRP 40 HD1 TRP 40 0.093 5.910 8.499 342 HE1 TRP 40 HE1 TRP 40 -1.987 7.421 8.391 343 HE3 TRP 40 HE3 TRP 40 -2.037 4.056 4.237 344 HZ2 TRP 40 HZ2 TRP 40 -4.235 7.779 6.721 345 HZ3 TRP 40 HZ3 TRP 40 -4.152 5.038 3.452 346 HH2 TRP 40 HH2 TRP 40 -5.227 6.860 4.670 347 H VAL 41 H VAL 41 -0.303 1.194 5.394 348 HA VAL 41 HA VAL 41 -3.078 1.098 5.473 349 HB VAL 41 HB VAL 41 -1.287 -1.186 4.640 350 HG11 VAL 41 HG11 VAL 41 -3.910 -0.455 3.400 351 HG12 VAL 41 HG12 VAL 41 -3.069 -2.007 3.408 352 HG13 VAL 41 HG13 VAL 41 -3.859 -1.423 4.874 353 HG21 VAL 41 HG21 VAL 41 -1.701 1.467 3.474 354 HG22 VAL 41 HG22 VAL 41 -0.414 0.294 3.196 355 HG23 VAL 41 HG23 VAL 41 -1.950 0.135 2.345 356 H TRP 42 H TRP 42 -0.735 -1.110 6.986 357 HA TRP 42 HA TRP 42 -2.484 -2.924 8.115 358 HB2 TRP 42 HB2 TRP 42 -0.152 -3.379 8.226 359 HB3 TRP 42 HB3 TRP 42 0.172 -1.880 9.092 360 HD1 TRP 42 HD1 TRP 42 1.009 -2.610 11.404 361 HE1 TRP 42 HE1 TRP 42 0.166 -4.200 13.244 362 HE3 TRP 42 HE3 TRP 42 -2.964 -4.674 8.937 363 HZ2 TRP 42 HZ2 TRP 42 -1.908 -6.081 13.602 364 HZ3 TRP 42 HZ3 TRP 42 -4.327 -6.362 10.098 365 HH2 TRP 42 HH2 TRP 42 -3.807 -7.050 12.383 366 H GLN 43 H GLN 43 -1.070 -0.117 9.811 367 HA GLN 43 HA GLN 43 -2.584 -0.270 12.119 368 HB2 GLN 43 HB2 GLN 43 -1.382 2.095 10.691 369 HB3 GLN 43 HB3 GLN 43 -2.202 2.255 12.238 370 HG2 GLN 43 HG2 GLN 43 0.064 0.335 11.845 371 HG3 GLN 43 HG3 GLN 43 0.334 2.029 12.252 372 HE21 GLN 43 HE21 GLN 43 1.285 0.233 13.960 373 HE22 GLN 43 HE22 GLN 43 0.331 0.161 15.398 374 H LYS 44 H LYS 44 -3.278 1.650 9.201 375 HA LYS 44 HA LYS 44 -5.662 2.800 9.986 376 HB2 LYS 44 HB2 LYS 44 -4.236 2.939 7.748 377 HB3 LYS 44 HB3 LYS 44 -5.447 1.794 7.187 378 HG2 LYS 44 HG2 LYS 44 -6.105 4.028 6.590 379 HG3 LYS 44 HG3 LYS 44 -7.212 3.395 7.810 380 HD2 LYS 44 HD2 LYS 44 -6.282 4.731 9.503 381 HD3 LYS 44 HD3 LYS 44 -4.836 5.077 8.552 382 HE2 LYS 44 HE2 LYS 44 -5.979 7.044 8.291 383 HE3 LYS 44 HE3 LYS 44 -6.579 6.144 6.898 384 HZ1 LYS 44 HZ1 LYS 44 -8.010 7.145 9.142 385 HZ2 LYS 44 HZ2 LYS 44 -8.257 5.481 8.970 386 HZ3 LYS 44 HZ3 LYS 44 -8.603 6.524 7.684 387 H LEU 45 H LEU 45 -5.328 -0.210 8.096 388 HA LEU 45 HA LEU 45 -8.029 -0.927 8.175 389 HB2 LEU 45 HB2 LEU 45 -6.704 -2.030 6.599 390 HB3 LEU 45 HB3 LEU 45 -5.495 -2.481 7.800 391 HG LEU 45 HG LEU 45 -7.159 -4.068 8.772 392 HD11 LEU 45 HD11 LEU 45 -9.023 -2.688 7.409 393 HD12 LEU 45 HD12 LEU 45 -9.240 -4.349 7.959 394 HD13 LEU 45 HD13 LEU 45 -8.752 -4.029 6.295 395 HD21 LEU 45 HD21 LEU 45 -7.042 -5.067 6.058 396 HD22 LEU 45 HD22 LEU 45 -6.224 -5.644 7.510 397 HD23 LEU 45 HD23 LEU 45 -5.515 -4.339 6.556 398 H LYS 46 H LYS 46 -5.526 -1.218 10.547 399 HA LYS 46 HA LYS 46 -6.621 -3.275 12.130 400 HB2 LYS 46 HB2 LYS 46 -4.299 -1.973 12.204 401 HB3 LYS 46 HB3 LYS 46 -5.144 -1.038 13.431 402 HG2 LYS 46 HG2 LYS 46 -5.666 -3.219 14.573 403 HG3 LYS 46 HG3 LYS 46 -4.546 -3.983 13.443 404 HD2 LYS 46 HD2 LYS 46 -2.997 -1.972 14.307 405 HD3 LYS 46 HD3 LYS 46 -4.012 -2.187 15.735 406 HE2 LYS 46 HE2 LYS 46 -3.437 -4.740 15.279 407 HE3 LYS 46 HE3 LYS 46 -2.021 -4.022 14.513 408 HZ1 LYS 46 HZ1 LYS 46 -1.230 -4.140 16.605 409 HZ2 LYS 46 HZ2 LYS 46 -2.761 -4.118 17.324 410 HZ3 LYS 46 HZ3 LYS 46 -2.055 -2.675 16.793 411 H LYS 47 H LYS 47 -7.421 0.077 11.778 412 HA LYS 47 HA LYS 47 -8.868 0.322 14.237 413 HB2 LYS 47 HB2 LYS 47 -7.841 2.181 12.725 414 HB3 LYS 47 HB3 LYS 47 -9.353 2.056 11.835 415 HG2 LYS 47 HG2 LYS 47 -9.486 2.386 14.784 416 HG3 LYS 47 HG3 LYS 47 -9.038 3.781 13.800 417 HD2 LYS 47 HD2 LYS 47 -11.092 3.894 12.784 418 HD3 LYS 47 HD3 LYS 47 -11.408 2.170 12.988 419 HE2 LYS 47 HE2 LYS 47 -12.875 3.163 14.493 420 HE3 LYS 47 HE3 LYS 47 -11.505 2.710 15.505 421 HZ1 LYS 47 HZ1 LYS 47 -12.622 5.228 15.204 422 HZ2 LYS 47 HZ2 LYS 47 -11.107 5.300 14.455 423 HZ3 LYS 47 HZ3 LYS 47 -11.229 4.818 16.072 424 H ILE 48 H ILE 48 -9.915 0.159 10.829 425 HA ILE 48 HA ILE 48 -12.655 -0.061 11.350 426 HB ILE 48 HB ILE 48 -11.847 0.476 9.129 427 HG12 ILE 48 HG12 ILE 48 -13.278 -2.188 9.072 428 HG13 ILE 48 HG13 ILE 48 -14.060 -0.647 9.407 429 HG21 ILE 48 HG21 ILE 48 -10.698 -1.076 7.722 430 HG22 ILE 48 HG22 ILE 48 -9.829 -0.988 9.253 431 HG23 ILE 48 HG23 ILE 48 -10.875 -2.366 8.911 432 HD11 ILE 48 HD11 ILE 48 -14.166 -1.633 7.028 433 HD12 ILE 48 HD12 ILE 48 -13.829 0.087 7.231 434 HD13 ILE 48 HD13 ILE 48 -12.513 -1.035 6.884 435 H ALA 49 H ALA 49 -10.111 -2.445 11.371 436 HA ALA 49 HA ALA 49 -11.856 -4.721 11.344 437 HB1 ALA 49 HB1 ALA 49 -9.714 -5.152 10.519 438 HB2 ALA 49 HB2 ALA 49 -8.927 -4.349 11.878 439 HB3 ALA 49 HB3 ALA 49 -9.720 -5.906 12.113 440 H GLY 50 H GLY 50 -10.532 -2.613 13.773 441 HA2 GLY 50 HA2 GLY 50 -11.052 -2.422 16.009 442 HA3 GLY 50 HA3 GLY 50 -12.276 -3.661 15.773 443 H LEU 51 H LEU 51 -8.808 -3.949 15.162 444 HA LEU 51 HA LEU 51 -8.697 -6.365 16.716 445 HB2 LEU 51 HB2 LEU 51 -6.339 -4.884 15.593 446 HB3 LEU 51 HB3 LEU 51 -6.494 -6.609 15.922 447 HG LEU 51 HG LEU 51 -7.954 -5.127 13.736 448 HD11 LEU 51 HD11 LEU 51 -6.176 -7.038 12.697 449 HD12 LEU 51 HD12 LEU 51 -5.264 -6.093 13.874 450 HD13 LEU 51 HD13 LEU 51 -6.093 -5.282 12.544 451 HD21 LEU 51 HD21 LEU 51 -7.797 -8.033 14.504 452 HD22 LEU 51 HD22 LEU 51 -8.367 -7.474 12.931 453 HD23 LEU 51 HD23 LEU 51 -9.232 -7.014 14.399 Start of MODEL 8 1 H1 MET 1 H MET 1 2.710 -0.479 0.370 2 HA MET 1 HA MET 1 4.547 -0.448 -1.799 3 HB2 MET 1 HB2 MET 1 4.850 -1.444 0.558 4 HB3 MET 1 HB3 MET 1 3.995 -2.847 -0.070 5 HG2 MET 1 HG2 MET 1 5.690 -3.214 -1.723 6 HG3 MET 1 HG3 MET 1 6.501 -1.713 -1.284 7 HE1 MET 1 HE1 MET 1 8.814 -2.092 0.781 8 HE2 MET 1 HE2 MET 1 9.249 -3.573 -0.072 9 HE3 MET 1 HE3 MET 1 8.522 -2.229 -0.953 10 H SER 2 H SER 2 2.249 -3.030 -0.918 11 HA SER 2 HA SER 2 1.144 -3.184 -3.545 12 HB2 SER 2 HB2 SER 2 3.312 -5.096 -2.745 13 HB3 SER 2 HB3 SER 2 2.006 -5.646 -3.793 14 HG SER 2 HG SER 2 2.574 -4.070 -5.280 15 H TRP 3 H TRP 3 -0.037 -5.482 -3.713 16 HA TRP 3 HA TRP 3 -1.757 -5.569 -1.391 17 HB2 TRP 3 HB2 TRP 3 -2.838 -5.636 -3.534 18 HB3 TRP 3 HB3 TRP 3 -1.843 -6.992 -4.055 19 HD1 TRP 3 HD1 TRP 3 -3.206 -9.144 -4.099 20 HE1 TRP 3 HE1 TRP 3 -5.097 -10.172 -2.688 21 HE3 TRP 3 HE3 TRP 3 -3.818 -5.379 -0.695 22 HZ2 TRP 3 HZ2 TRP 3 -6.644 -9.479 -0.431 23 HZ3 TRP 3 HZ3 TRP 3 -5.525 -5.640 1.058 24 HH2 TRP 3 HH2 TRP 3 -6.908 -7.648 1.185 25 H LEU 4 H LEU 4 -0.240 -8.175 -3.300 26 HA LEU 4 HA LEU 4 -0.490 -10.181 -1.414 27 HB2 LEU 4 HB2 LEU 4 1.763 -9.835 -3.387 28 HB3 LEU 4 HB3 LEU 4 1.290 -11.340 -2.602 29 HG LEU 4 HG LEU 4 -0.617 -9.850 -4.376 30 HD11 LEU 4 HD11 LEU 4 1.362 -11.940 -5.269 31 HD12 LEU 4 HD12 LEU 4 1.473 -10.218 -5.633 32 HD13 LEU 4 HD13 LEU 4 0.123 -11.166 -6.257 33 HD21 LEU 4 HD21 LEU 4 -1.955 -11.570 -3.956 34 HD22 LEU 4 HD22 LEU 4 -0.772 -12.158 -2.787 35 HD23 LEU 4 HD23 LEU 4 -0.711 -12.715 -4.460 36 H ASN 5 H ASN 5 1.871 -7.619 -1.630 37 HA ASN 5 HA ASN 5 3.728 -8.726 0.225 38 HB2 ASN 5 HB2 ASN 5 3.290 -5.922 -0.807 39 HB3 ASN 5 HB3 ASN 5 4.570 -6.329 0.332 40 HD21 ASN 5 HD21 ASN 5 5.323 -5.241 -1.966 41 HD22 ASN 5 HD22 ASN 5 6.044 -6.412 -3.012 42 H PHE 6 H PHE 6 0.959 -6.567 0.489 43 HA PHE 6 HA PHE 6 1.348 -5.776 3.162 44 HB2 PHE 6 HB2 PHE 6 -0.196 -4.604 1.672 45 HB3 PHE 6 HB3 PHE 6 -1.221 -6.033 1.586 46 HD1 PHE 6 HD2 PHE 6 -0.000 -3.355 3.806 47 HD2 PHE 6 HD1 PHE 6 -2.802 -6.515 3.275 48 HE1 PHE 6 HE2 PHE 6 -1.260 -2.563 5.765 49 HE2 PHE 6 HE1 PHE 6 -4.067 -5.727 5.233 50 HZ PHE 6 HZ PHE 6 -3.295 -3.749 6.482 51 H LEU 7 H LEU 7 -0.746 -8.318 1.800 52 HA LEU 7 HA LEU 7 -1.704 -9.327 4.216 53 HB2 LEU 7 HB2 LEU 7 -1.182 -10.806 1.641 54 HB3 LEU 7 HB3 LEU 7 -2.189 -11.385 2.966 55 HG LEU 7 HG LEU 7 -2.787 -8.863 1.433 56 HD11 LEU 7 HD11 LEU 7 -3.328 -11.699 0.771 57 HD12 LEU 7 HD12 LEU 7 -3.084 -10.311 -0.289 58 HD13 LEU 7 HD13 LEU 7 -4.634 -10.540 0.520 59 HD21 LEU 7 HD21 LEU 7 -4.216 -10.529 3.467 60 HD22 LEU 7 HD22 LEU 7 -5.123 -9.544 2.318 61 HD23 LEU 7 HD23 LEU 7 -3.975 -8.782 3.420 62 H LYS 8 H LYS 8 1.044 -10.471 2.258 63 HA LYS 8 HA LYS 8 1.890 -12.527 3.920 64 HB2 LYS 8 HB2 LYS 8 2.732 -11.629 1.557 65 HB3 LYS 8 HB3 LYS 8 3.960 -10.870 2.562 66 HG2 LYS 8 HG2 LYS 8 4.103 -13.328 3.562 67 HG3 LYS 8 HG3 LYS 8 3.504 -13.730 1.951 68 HD2 LYS 8 HD2 LYS 8 5.367 -12.373 0.996 69 HD3 LYS 8 HD3 LYS 8 5.999 -12.177 2.633 70 HE2 LYS 8 HE2 LYS 8 6.590 -14.403 2.811 71 HE3 LYS 8 HE3 LYS 8 5.428 -14.916 1.588 72 HZ1 LYS 8 HZ1 LYS 8 8.156 -14.163 1.277 73 HZ2 LYS 8 HZ2 LYS 8 7.155 -13.243 0.271 74 HZ3 LYS 8 HZ3 LYS 8 7.125 -14.932 0.179 75 H TYR 9 H TYR 9 2.287 -9.086 4.240 76 HA TYR 9 HA TYR 9 4.347 -9.232 6.234 77 HB2 TYR 9 HB2 TYR 9 4.250 -7.248 4.892 78 HB3 TYR 9 HB3 TYR 9 2.559 -6.982 5.303 79 HD1 TYR 9 HD1 TYR 9 5.745 -7.525 7.196 80 HD2 TYR 9 HD2 TYR 9 2.207 -5.210 6.723 81 HE1 TYR 9 HE1 TYR 9 6.433 -6.100 9.079 82 HE2 TYR 9 HE2 TYR 9 2.885 -3.777 8.603 83 HH TYR 9 HH TYR 9 5.644 -4.555 10.603 84 H ILE 10 H ILE 10 0.943 -8.164 6.365 85 HA ILE 10 HA ILE 10 0.777 -8.052 9.160 86 HB ILE 10 HB ILE 10 -1.675 -8.136 8.854 87 HG12 ILE 10 HG12 ILE 10 -1.329 -8.202 5.892 88 HG13 ILE 10 HG13 ILE 10 -1.279 -9.731 6.762 89 HG21 ILE 10 HG21 ILE 10 0.137 -6.284 7.485 90 HG22 ILE 10 HG22 ILE 10 -1.531 -6.232 6.917 91 HG23 ILE 10 HG23 ILE 10 -1.171 -5.962 8.622 92 HD11 ILE 10 HD11 ILE 10 -3.520 -8.832 5.802 93 HD12 ILE 10 HD12 ILE 10 -3.480 -9.596 7.391 94 HD13 ILE 10 HD13 ILE 10 -3.523 -7.838 7.258 95 H ALA 11 H ALA 11 0.815 -10.729 7.031 96 HA ALA 11 HA ALA 11 -0.718 -12.638 8.303 97 HB1 ALA 11 HB1 ALA 11 1.425 -12.618 6.385 98 HB2 ALA 11 HB2 ALA 11 1.590 -13.987 7.485 99 HB3 ALA 11 HB3 ALA 11 0.098 -13.765 6.573 100 H LYS 12 H LYS 12 2.362 -11.303 9.251 101 HA LYS 12 HA LYS 12 3.207 -13.261 11.061 102 HB2 LYS 12 HB2 LYS 12 4.618 -11.555 12.024 103 HB3 LYS 12 HB3 LYS 12 4.591 -11.352 10.277 104 HG2 LYS 12 HG2 LYS 12 2.809 -9.598 10.637 105 HG3 LYS 12 HG3 LYS 12 3.196 -9.694 12.356 106 HD2 LYS 12 HD2 LYS 12 5.480 -9.356 10.510 107 HD3 LYS 12 HD3 LYS 12 4.387 -7.979 10.666 108 HE2 LYS 12 HE2 LYS 12 5.754 -7.485 12.402 109 HE3 LYS 12 HE3 LYS 12 4.679 -8.593 13.254 110 HZ1 LYS 12 HZ1 LYS 12 6.237 -10.361 12.951 111 HZ2 LYS 12 HZ2 LYS 12 7.065 -9.045 13.617 112 HZ3 LYS 12 HZ3 LYS 12 7.231 -9.404 11.972 113 H TYR 13 H TYR 13 0.855 -10.687 11.375 114 HA TYR 13 HA TYR 13 0.600 -10.807 14.202 115 HB2 TYR 13 HB2 TYR 13 -1.385 -9.836 12.134 116 HB3 TYR 13 HB3 TYR 13 -1.465 -9.516 13.863 117 HD1 TYR 13 HD2 TYR 13 0.870 -8.497 14.805 118 HD2 TYR 13 HD1 TYR 13 -0.590 -8.121 10.826 119 HE1 TYR 13 HE2 TYR 13 2.242 -6.478 14.498 120 HE2 TYR 13 HE1 TYR 13 0.778 -6.102 10.508 121 HH TYR 13 HH TYR 13 2.353 -4.520 13.117 122 H GLY 14 H GLY 14 -0.645 -12.713 11.602 123 HA2 GLY 14 HA2 GLY 14 -1.353 -14.980 12.518 124 HA3 GLY 14 HA3 GLY 14 -2.515 -14.050 13.452 125 H LYS 15 H LYS 15 -3.977 -15.603 12.296 126 HA LYS 15 HA LYS 15 -4.519 -14.861 9.521 127 HB2 LYS 15 HB2 LYS 15 -5.907 -16.985 11.155 128 HB3 LYS 15 HB3 LYS 15 -5.899 -16.812 9.405 129 HG2 LYS 15 HG2 LYS 15 -3.475 -17.445 11.075 130 HG3 LYS 15 HG3 LYS 15 -4.455 -18.638 10.221 131 HD2 LYS 15 HD2 LYS 15 -3.100 -16.310 8.868 132 HD3 LYS 15 HD3 LYS 15 -2.373 -17.912 9.018 133 HE2 LYS 15 HE2 LYS 15 -4.668 -18.676 7.973 134 HE3 LYS 15 HE3 LYS 15 -4.695 -17.017 7.379 135 HZ1 LYS 15 HZ1 LYS 15 -2.922 -19.220 6.657 136 HZ2 LYS 15 HZ2 LYS 15 -2.246 -17.670 6.690 137 HZ3 LYS 15 HZ3 LYS 15 -3.572 -17.994 5.690 138 H LYS 16 H LYS 16 -5.112 -13.145 11.904 139 HA LYS 16 HA LYS 16 -8.038 -13.006 11.746 140 HB2 LYS 16 HB2 LYS 16 -6.203 -11.484 13.600 141 HB3 LYS 16 HB3 LYS 16 -7.952 -11.622 13.718 142 HG2 LYS 16 HG2 LYS 16 -5.984 -13.877 14.052 143 HG3 LYS 16 HG3 LYS 16 -6.827 -13.033 15.353 144 HD2 LYS 16 HD2 LYS 16 -8.968 -13.804 14.489 145 HD3 LYS 16 HD3 LYS 16 -8.154 -14.602 13.141 146 HE2 LYS 16 HE2 LYS 16 -7.760 -15.257 16.060 147 HE3 LYS 16 HE3 LYS 16 -8.764 -16.172 14.936 148 HZ1 LYS 16 HZ1 LYS 16 -5.841 -15.747 14.632 149 HZ2 LYS 16 HZ2 LYS 16 -6.824 -16.703 13.642 150 HZ3 LYS 16 HZ3 LYS 16 -6.553 -17.152 15.250 151 H ALA 17 H ALA 17 -5.117 -11.257 10.979 152 HA ALA 17 HA ALA 17 -6.562 -8.856 10.219 153 HB1 ALA 17 HB1 ALA 17 -4.497 -8.360 11.182 154 HB2 ALA 17 HB2 ALA 17 -3.662 -9.617 10.267 155 HB3 ALA 17 HB3 ALA 17 -4.215 -8.154 9.453 156 H VAL 18 H VAL 18 -5.237 -11.704 8.735 157 HA VAL 18 HA VAL 18 -5.058 -10.769 6.077 158 HB VAL 18 HB VAL 18 -3.985 -12.851 6.828 159 HG11 VAL 18 HG11 VAL 18 -6.660 -14.201 6.712 160 HG12 VAL 18 HG12 VAL 18 -5.146 -14.790 7.401 161 HG13 VAL 18 HG13 VAL 18 -6.048 -13.511 8.215 162 HG21 VAL 18 HG21 VAL 18 -4.199 -12.654 4.492 163 HG22 VAL 18 HG22 VAL 18 -4.755 -14.285 4.872 164 HG23 VAL 18 HG23 VAL 18 -5.926 -13.010 4.538 165 H SER 19 H SER 19 -7.706 -12.052 7.982 166 HA SER 19 HA SER 19 -9.494 -12.454 5.802 167 HB2 SER 19 HB2 SER 19 -9.695 -13.542 8.064 168 HB3 SER 19 HB3 SER 19 -10.222 -11.985 8.701 169 HG SER 19 HG SER 19 -11.530 -13.727 6.934 170 H ALA 20 H ALA 20 -9.232 -9.897 8.267 171 HA ALA 20 HA ALA 20 -11.304 -8.268 7.445 172 HB1 ALA 20 HB1 ALA 20 -9.798 -6.378 8.347 173 HB2 ALA 20 HB2 ALA 20 -10.299 -7.661 9.450 174 HB3 ALA 20 HB3 ALA 20 -8.678 -7.677 8.757 175 H ALA 21 H ALA 21 -7.982 -8.394 6.226 176 HA ALA 21 HA ALA 21 -8.054 -6.189 4.528 177 HB1 ALA 21 HB1 ALA 21 -6.577 -8.766 4.017 178 HB2 ALA 21 HB2 ALA 21 -6.182 -7.167 3.385 179 HB3 ALA 21 HB3 ALA 21 -6.025 -7.497 5.110 180 H TRP 22 H TRP 22 -9.012 -9.548 3.921 181 HA TRP 22 HA TRP 22 -9.639 -9.186 1.185 182 HB2 TRP 22 HB2 TRP 22 -10.284 -11.268 3.241 183 HB3 TRP 22 HB3 TRP 22 -11.114 -11.298 1.688 184 HD1 TRP 22 HD1 TRP 22 -8.090 -12.578 3.317 185 HE1 TRP 22 HE1 TRP 22 -6.417 -13.477 1.580 186 HE3 TRP 22 HE3 TRP 22 -10.162 -10.586 -0.910 187 HZ2 TRP 22 HZ2 TRP 22 -6.026 -13.356 -1.213 188 HZ3 TRP 22 HZ3 TRP 22 -9.076 -11.024 -3.075 189 HH2 TRP 22 HH2 TRP 22 -7.051 -12.380 -3.221 190 H LYS 23 H LYS 23 -11.635 -9.153 4.122 191 HA LYS 23 HA LYS 23 -14.111 -8.762 2.864 192 HB2 LYS 23 HB2 LYS 23 -13.447 -9.270 5.375 193 HB3 LYS 23 HB3 LYS 23 -13.567 -7.522 5.527 194 HG2 LYS 23 HG2 LYS 23 -15.880 -7.911 4.335 195 HG3 LYS 23 HG3 LYS 23 -15.689 -9.534 5.002 196 HD2 LYS 23 HD2 LYS 23 -15.111 -8.203 7.199 197 HD3 LYS 23 HD3 LYS 23 -16.034 -6.925 6.404 198 HE2 LYS 23 HE2 LYS 23 -17.986 -8.226 6.342 199 HE3 LYS 23 HE3 LYS 23 -17.104 -9.719 6.660 200 HZ1 LYS 23 HZ1 LYS 23 -16.596 -8.067 8.809 201 HZ2 LYS 23 HZ2 LYS 23 -17.596 -9.431 8.787 202 HZ3 LYS 23 HZ3 LYS 23 -18.252 -7.898 8.504 203 H TYR 24 H TYR 24 -11.806 -6.410 4.203 204 HA TYR 24 HA TYR 24 -13.340 -4.245 2.955 205 HB2 TYR 24 HB2 TYR 24 -11.028 -4.027 4.890 206 HB3 TYR 24 HB3 TYR 24 -12.103 -2.731 4.378 207 HD1 TYR 24 HD1 TYR 24 -14.736 -4.069 4.581 208 HD2 TYR 24 HD2 TYR 24 -11.379 -4.177 7.193 209 HE1 TYR 24 HE1 TYR 24 -16.230 -4.558 6.473 210 HE2 TYR 24 HE2 TYR 24 -12.864 -4.667 9.091 211 HH TYR 24 HH TYR 24 -15.142 -4.474 9.744 212 H LYS 25 H LYS 25 -11.785 -6.034 1.342 213 HA LYS 25 HA LYS 25 -9.254 -5.187 0.646 214 HB2 LYS 25 HB2 LYS 25 -10.692 -7.148 -0.264 215 HB3 LYS 25 HB3 LYS 25 -11.245 -5.981 -1.458 216 HG2 LYS 25 HG2 LYS 25 -9.231 -5.899 -2.520 217 HG3 LYS 25 HG3 LYS 25 -8.319 -6.278 -1.057 218 HD2 LYS 25 HD2 LYS 25 -8.134 -8.187 -2.427 219 HD3 LYS 25 HD3 LYS 25 -9.338 -8.602 -1.204 220 HE2 LYS 25 HE2 LYS 25 -10.241 -7.416 -3.787 221 HE3 LYS 25 HE3 LYS 25 -9.759 -9.112 -3.747 222 HZ1 LYS 25 HZ1 LYS 25 -12.135 -7.867 -2.736 223 HZ2 LYS 25 HZ2 LYS 25 -11.386 -8.857 -1.587 224 HZ3 LYS 25 HZ3 LYS 25 -11.836 -9.495 -3.088 225 H GLY 26 H GLY 26 -12.359 -4.019 -0.654 226 HA2 GLY 26 HA2 GLY 26 -11.380 -2.167 -2.475 227 HA3 GLY 26 HA3 GLY 26 -12.920 -2.024 -1.639 228 H LYS 27 H LYS 27 -11.448 -1.998 0.987 229 HA LYS 27 HA LYS 27 -10.908 0.869 0.982 230 HB2 LYS 27 HB2 LYS 27 -11.007 -0.954 3.382 231 HB3 LYS 27 HB3 LYS 27 -11.190 0.795 3.346 232 HG2 LYS 27 HG2 LYS 27 -13.300 0.500 2.082 233 HG3 LYS 27 HG3 LYS 27 -13.128 -1.246 2.277 234 HD2 LYS 27 HD2 LYS 27 -13.054 -0.851 4.762 235 HD3 LYS 27 HD3 LYS 27 -13.503 0.825 4.435 236 HE2 LYS 27 HE2 LYS 27 -15.153 -1.343 3.238 237 HE3 LYS 27 HE3 LYS 27 -15.317 -1.026 4.965 238 HZ1 LYS 27 HZ1 LYS 27 -15.440 1.216 3.067 239 HZ2 LYS 27 HZ2 LYS 27 -16.153 1.063 4.593 240 HZ3 LYS 27 HZ3 LYS 27 -16.800 0.230 3.271 241 H VAL 28 H VAL 28 -9.309 -2.194 1.579 242 HA VAL 28 HA VAL 28 -6.928 -1.098 2.691 243 HB VAL 28 HB VAL 28 -7.207 -3.752 1.280 244 HG11 VAL 28 HG11 VAL 28 -5.345 -4.439 2.646 245 HG12 VAL 28 HG12 VAL 28 -4.909 -2.967 1.775 246 HG13 VAL 28 HG13 VAL 28 -5.339 -2.888 3.484 247 HG21 VAL 28 HG21 VAL 28 -8.406 -2.812 3.740 248 HG22 VAL 28 HG22 VAL 28 -8.670 -4.319 2.862 249 HG23 VAL 28 HG23 VAL 28 -7.344 -4.192 4.018 250 H LEU 29 H LEU 29 -7.726 -2.349 -0.547 251 HA LEU 29 HA LEU 29 -5.277 -1.890 -1.770 252 HB2 LEU 29 HB2 LEU 29 -8.085 -2.101 -2.716 253 HB3 LEU 29 HB3 LEU 29 -6.880 -1.481 -3.843 254 HG LEU 29 HG LEU 29 -7.293 -3.888 -4.124 255 HD11 LEU 29 HD11 LEU 29 -4.538 -3.257 -3.074 256 HD12 LEU 29 HD12 LEU 29 -5.117 -2.921 -4.705 257 HD13 LEU 29 HD13 LEU 29 -4.969 -4.588 -4.148 258 HD21 LEU 29 HD21 LEU 29 -6.672 -5.478 -2.448 259 HD22 LEU 29 HD22 LEU 29 -7.798 -4.331 -1.723 260 HD23 LEU 29 HD23 LEU 29 -6.071 -4.204 -1.387 261 H GLU 30 H GLU 30 -7.759 0.345 -0.855 262 HA GLU 30 HA GLU 30 -6.787 2.489 -2.524 263 HB2 GLU 30 HB2 GLU 30 -8.844 2.366 -0.321 264 HB3 GLU 30 HB3 GLU 30 -8.410 3.862 -1.135 265 HG2 GLU 30 HG2 GLU 30 -9.221 3.066 -3.217 266 HG3 GLU 30 HG3 GLU 30 -9.413 1.431 -2.587 267 H TRP 31 H TRP 31 -6.387 1.393 0.772 268 HA TRP 31 HA TRP 31 -5.098 3.778 1.696 269 HB2 TRP 31 HB2 TRP 31 -5.323 0.991 2.834 270 HB3 TRP 31 HB3 TRP 31 -4.443 2.284 3.644 271 HD1 TRP 31 HD1 TRP 31 -6.579 4.627 3.017 272 HE1 TRP 31 HE1 TRP 31 -8.792 4.651 4.330 273 HE3 TRP 31 HE3 TRP 31 -6.698 -0.266 4.495 274 HZ2 TRP 31 HZ2 TRP 31 -10.379 2.836 5.798 275 HZ3 TRP 31 HZ3 TRP 31 -8.599 -1.041 5.853 276 HH2 TRP 31 HH2 TRP 31 -10.399 0.479 6.490 277 H LEU 32 H LEU 32 -4.096 0.900 0.062 278 HA LEU 32 HA LEU 32 -1.297 1.227 0.712 279 HB2 LEU 32 HB2 LEU 32 -2.523 -0.559 -1.377 280 HB3 LEU 32 HB3 LEU 32 -0.920 -0.697 -0.659 281 HG LEU 32 HG LEU 32 -3.262 -0.902 1.156 282 HD11 LEU 32 HD11 LEU 32 -2.741 -2.720 -1.096 283 HD12 LEU 32 HD12 LEU 32 -4.216 -2.446 -0.171 284 HD13 LEU 32 HD13 LEU 32 -2.952 -3.493 0.475 285 HD21 LEU 32 HD21 LEU 32 -1.350 -2.933 1.525 286 HD22 LEU 32 HD22 LEU 32 -1.613 -1.497 2.516 287 HD23 LEU 32 HD23 LEU 32 -0.454 -1.452 1.186 288 H ASN 33 H ASN 33 -3.495 2.288 -1.716 289 HA ASN 33 HA ASN 33 -1.392 2.944 -3.613 290 HB2 ASN 33 HB2 ASN 33 -3.525 2.122 -4.481 291 HB3 ASN 33 HB3 ASN 33 -4.374 3.455 -3.704 292 HD21 ASN 33 HD21 ASN 33 -4.340 5.462 -4.620 293 HD22 ASN 33 HD22 ASN 33 -3.685 5.778 -6.188 294 H VAL 34 H VAL 34 -3.266 4.455 -1.124 295 HA VAL 34 HA VAL 34 -2.329 7.116 -1.939 296 HB VAL 34 HB VAL 34 -3.949 8.041 -0.405 297 HG11 VAL 34 HG11 VAL 34 -4.881 7.640 -2.524 298 HG12 VAL 34 HG12 VAL 34 -4.985 5.901 -2.243 299 HG13 VAL 34 HG13 VAL 34 -6.060 7.002 -1.379 300 HG21 VAL 34 HG21 VAL 34 -5.583 6.211 0.597 301 HG22 VAL 34 HG22 VAL 34 -4.119 5.228 0.538 302 HG23 VAL 34 HG23 VAL 34 -4.134 6.733 1.457 303 H GLY 35 H GLY 35 -1.968 4.663 0.488 304 HA2 GLY 35 HA2 GLY 35 -0.692 6.380 2.420 305 HA3 GLY 35 HA3 GLY 35 -0.802 4.627 2.490 306 HA PRO 36 HA PRO 36 3.508 6.183 1.193 307 HB2 PRO 36 HB2 PRO 36 4.807 5.753 3.538 308 HB3 PRO 36 HB3 PRO 36 4.040 7.294 3.133 309 HG2 PRO 36 HG2 PRO 36 3.017 5.062 4.846 310 HG3 PRO 36 HG3 PRO 36 2.950 6.811 5.129 311 HD2 PRO 36 HD2 PRO 36 0.832 5.403 4.198 312 HD3 PRO 36 HD3 PRO 36 1.131 7.092 3.742 313 H THR 37 H THR 37 2.806 3.611 3.566 314 HA THR 37 HA THR 37 3.907 1.632 1.741 315 HB THR 37 HB THR 37 5.427 0.661 3.369 316 HG1 THR 37 HG1 THR 37 5.798 1.746 5.354 317 HG21 THR 37 HG21 THR 37 5.922 3.624 3.047 318 HG22 THR 37 HG22 THR 37 6.320 2.378 1.864 319 HG23 THR 37 HG23 THR 37 7.140 2.407 3.425 320 H LEU 38 H LEU 38 3.935 -0.583 3.221 321 HA LEU 38 HA LEU 38 1.198 -1.178 3.589 322 HB2 LEU 38 HB2 LEU 38 3.588 -2.740 4.556 323 HB3 LEU 38 HB3 LEU 38 1.950 -3.356 4.339 324 HG LEU 38 HG LEU 38 3.816 -2.445 2.149 325 HD11 LEU 38 HD11 LEU 38 4.655 -4.499 2.532 326 HD12 LEU 38 HD12 LEU 38 3.236 -5.022 1.627 327 HD13 LEU 38 HD13 LEU 38 3.215 -5.047 3.390 328 HD21 LEU 38 HD21 LEU 38 1.618 -3.928 1.172 329 HD22 LEU 38 HD22 LEU 38 2.029 -2.243 0.852 330 HD23 LEU 38 HD23 LEU 38 0.975 -2.652 2.206 331 H GLU 39 H GLU 39 3.807 -0.406 5.826 332 HA GLU 39 HA GLU 39 2.665 -1.104 8.239 333 HB2 GLU 39 HB2 GLU 39 4.967 -0.244 7.971 334 HB3 GLU 39 HB3 GLU 39 4.319 1.364 7.677 335 HG2 GLU 39 HG2 GLU 39 3.518 0.001 10.182 336 HG3 GLU 39 HG3 GLU 39 5.175 0.589 10.059 337 H TRP 40 H TRP 40 2.425 2.067 6.625 338 HA TRP 40 HA TRP 40 0.715 3.303 8.414 339 HB2 TRP 40 HB2 TRP 40 1.866 4.392 6.472 340 HB3 TRP 40 HB3 TRP 40 0.659 3.667 5.413 341 HD1 TRP 40 HD1 TRP 40 0.983 6.312 8.189 342 HE1 TRP 40 HE1 TRP 40 -1.013 7.927 8.005 343 HE3 TRP 40 HE3 TRP 40 -1.681 3.899 4.553 344 HZ2 TRP 40 HZ2 TRP 40 -3.400 8.149 6.515 345 HZ3 TRP 40 HZ3 TRP 40 -3.811 4.879 3.805 346 HH2 TRP 40 HH2 TRP 40 -4.651 6.959 4.768 347 H VAL 41 H VAL 41 -0.173 1.491 5.476 348 HA VAL 41 HA VAL 41 -2.928 1.701 5.675 349 HB VAL 41 HB VAL 41 -1.367 -0.680 4.663 350 HG11 VAL 41 HG11 VAL 41 -3.800 -0.227 3.261 351 HG12 VAL 41 HG12 VAL 41 -3.318 -1.635 4.210 352 HG13 VAL 41 HG13 VAL 41 -4.153 -0.289 4.988 353 HG21 VAL 41 HG21 VAL 41 -1.847 2.005 3.589 354 HG22 VAL 41 HG22 VAL 41 -0.599 0.827 3.184 355 HG23 VAL 41 HG23 VAL 41 -2.205 0.691 2.468 356 H TRP 42 H TRP 42 -0.791 -0.771 7.069 357 HA TRP 42 HA TRP 42 -2.708 -2.422 8.199 358 HB2 TRP 42 HB2 TRP 42 -0.443 -3.151 8.202 359 HB3 TRP 42 HB3 TRP 42 0.089 -1.729 9.095 360 HD1 TRP 42 HD1 TRP 42 0.828 -2.495 11.416 361 HE1 TRP 42 HE1 TRP 42 -0.092 -4.086 13.219 362 HE3 TRP 42 HE3 TRP 42 -3.233 -4.313 8.898 363 HZ2 TRP 42 HZ2 TRP 42 -2.253 -5.874 13.532 364 HZ3 TRP 42 HZ3 TRP 42 -4.676 -5.961 10.020 365 HH2 TRP 42 HH2 TRP 42 -4.194 -6.724 12.288 366 H GLN 43 H GLN 43 -1.400 0.623 9.369 367 HA GLN 43 HA GLN 43 -2.556 0.473 11.963 368 HB2 GLN 43 HB2 GLN 43 -1.523 2.798 10.339 369 HB3 GLN 43 HB3 GLN 43 -2.106 2.957 11.991 370 HG2 GLN 43 HG2 GLN 43 0.081 1.040 11.271 371 HG3 GLN 43 HG3 GLN 43 0.406 2.736 11.624 372 HE21 GLN 43 HE21 GLN 43 0.558 -0.172 12.944 373 HE22 GLN 43 HE22 GLN 43 0.234 0.197 14.601 374 H LYS 44 H LYS 44 -3.727 1.417 8.846 375 HA LYS 44 HA LYS 44 -6.033 2.817 9.906 376 HB2 LYS 44 HB2 LYS 44 -4.906 2.290 7.201 377 HB3 LYS 44 HB3 LYS 44 -6.634 2.600 7.316 378 HG2 LYS 44 HG2 LYS 44 -4.759 4.462 8.681 379 HG3 LYS 44 HG3 LYS 44 -4.921 4.548 6.925 380 HD2 LYS 44 HD2 LYS 44 -7.491 4.526 7.494 381 HD3 LYS 44 HD3 LYS 44 -6.926 5.129 9.054 382 HE2 LYS 44 HE2 LYS 44 -6.163 7.101 8.168 383 HE3 LYS 44 HE3 LYS 44 -5.878 6.400 6.575 384 HZ1 LYS 44 HZ1 LYS 44 -7.853 8.012 6.940 385 HZ2 LYS 44 HZ2 LYS 44 -8.631 6.652 7.577 386 HZ3 LYS 44 HZ3 LYS 44 -8.070 6.635 5.981 387 H LEU 45 H LEU 45 -5.377 -0.204 8.160 388 HA LEU 45 HA LEU 45 -8.053 -1.089 8.057 389 HB2 LEU 45 HB2 LEU 45 -6.583 -2.130 6.575 390 HB3 LEU 45 HB3 LEU 45 -5.395 -2.451 7.836 391 HG LEU 45 HG LEU 45 -6.957 -4.145 8.786 392 HD11 LEU 45 HD11 LEU 45 -8.875 -2.949 7.318 393 HD12 LEU 45 HD12 LEU 45 -8.984 -4.602 7.921 394 HD13 LEU 45 HD13 LEU 45 -8.465 -4.301 6.263 395 HD21 LEU 45 HD21 LEU 45 -5.208 -4.342 6.658 396 HD22 LEU 45 HD22 LEU 45 -6.657 -5.168 6.084 397 HD23 LEU 45 HD23 LEU 45 -5.883 -5.684 7.583 398 H LYS 46 H LYS 46 -5.409 -1.855 10.308 399 HA LYS 46 HA LYS 46 -6.694 -3.678 11.931 400 HB2 LYS 46 HB2 LYS 46 -4.312 -3.112 12.133 401 HB3 LYS 46 HB3 LYS 46 -4.738 -1.531 12.775 402 HG2 LYS 46 HG2 LYS 46 -5.970 -2.845 14.611 403 HG3 LYS 46 HG3 LYS 46 -5.010 -4.219 14.060 404 HD2 LYS 46 HD2 LYS 46 -3.408 -1.821 14.417 405 HD3 LYS 46 HD3 LYS 46 -4.233 -2.305 15.901 406 HE2 LYS 46 HE2 LYS 46 -3.345 -4.695 15.144 407 HE3 LYS 46 HE3 LYS 46 -2.126 -3.703 14.346 408 HZ1 LYS 46 HZ1 LYS 46 -1.568 -2.702 16.441 409 HZ2 LYS 46 HZ2 LYS 46 -1.483 -4.384 16.601 410 HZ3 LYS 46 HZ3 LYS 46 -2.807 -3.540 17.232 411 H LYS 47 H LYS 47 -7.092 -0.221 11.765 412 HA LYS 47 HA LYS 47 -8.443 0.111 14.241 413 HB2 LYS 47 HB2 LYS 47 -7.363 1.862 12.588 414 HB3 LYS 47 HB3 LYS 47 -8.985 1.902 11.910 415 HG2 LYS 47 HG2 LYS 47 -9.126 3.599 13.426 416 HG3 LYS 47 HG3 LYS 47 -9.684 2.247 14.414 417 HD2 LYS 47 HD2 LYS 47 -6.772 2.887 14.355 418 HD3 LYS 47 HD3 LYS 47 -7.852 3.910 15.306 419 HE2 LYS 47 HE2 LYS 47 -8.725 1.683 16.279 420 HE3 LYS 47 HE3 LYS 47 -7.241 0.992 15.626 421 HZ1 LYS 47 HZ1 LYS 47 -6.480 3.275 16.969 422 HZ2 LYS 47 HZ2 LYS 47 -6.243 1.676 17.466 423 HZ3 LYS 47 HZ3 LYS 47 -7.611 2.527 17.981 424 H ILE 48 H ILE 48 -9.662 -0.020 10.891 425 HA ILE 48 HA ILE 48 -12.393 -0.063 11.631 426 HB ILE 48 HB ILE 48 -11.687 0.610 9.392 427 HG12 ILE 48 HG12 ILE 48 -13.365 -1.900 9.234 428 HG13 ILE 48 HG13 ILE 48 -13.971 -0.353 9.814 429 HG21 ILE 48 HG21 ILE 48 -11.020 -1.166 7.759 430 HG22 ILE 48 HG22 ILE 48 -9.822 -0.822 9.006 431 HG23 ILE 48 HG23 ILE 48 -10.830 -2.264 9.126 432 HD11 ILE 48 HD11 ILE 48 -14.073 -1.247 7.236 433 HD12 ILE 48 HD12 ILE 48 -14.237 0.432 7.750 434 HD13 ILE 48 HD13 ILE 48 -12.671 -0.179 7.216 435 H ALA 49 H ALA 49 -9.970 -2.535 11.331 436 HA ALA 49 HA ALA 49 -11.869 -4.714 11.310 437 HB1 ALA 49 HB1 ALA 49 -8.867 -4.621 11.507 438 HB2 ALA 49 HB2 ALA 49 -9.797 -6.120 11.560 439 HB3 ALA 49 HB3 ALA 49 -9.852 -5.098 10.123 440 H GLY 50 H GLY 50 -10.111 -2.868 13.658 441 HA2 GLY 50 HA2 GLY 50 -10.167 -2.884 15.954 442 HA3 GLY 50 HA3 GLY 50 -11.598 -3.896 15.825 443 H LEU 51 H LEU 51 -8.259 -4.515 14.785 444 HA LEU 51 HA LEU 51 -8.340 -7.047 16.238 445 HB2 LEU 51 HB2 LEU 51 -6.073 -6.151 14.504 446 HB3 LEU 51 HB3 LEU 51 -6.618 -7.788 14.864 447 HG LEU 51 HG LEU 51 -8.164 -5.847 13.152 448 HD11 LEU 51 HD11 LEU 51 -7.338 -7.351 11.284 449 HD12 LEU 51 HD12 LEU 51 -6.110 -7.911 12.418 450 HD13 LEU 51 HD13 LEU 51 -6.173 -6.210 11.957 451 HD21 LEU 51 HD21 LEU 51 -8.519 -8.660 14.029 452 HD22 LEU 51 HD22 LEU 51 -8.988 -8.246 12.380 453 HD23 LEU 51 HD23 LEU 51 -9.720 -7.401 13.744 Start of MODEL 9 1 H1 MET 1 H MET 1 2.407 0.154 0.218 2 HA MET 1 HA MET 1 3.661 0.061 -2.076 3 HB2 MET 1 HB2 MET 1 3.671 -2.034 0.072 4 HB3 MET 1 HB3 MET 1 4.688 -2.219 -1.350 5 HG2 MET 1 HG2 MET 1 4.800 0.351 0.132 6 HG3 MET 1 HG3 MET 1 5.564 -1.067 0.848 7 HE1 MET 1 HE1 MET 1 8.937 -0.785 -0.506 8 HE2 MET 1 HE2 MET 1 7.867 -0.723 0.895 9 HE3 MET 1 HE3 MET 1 7.892 -2.156 -0.134 10 H SER 2 H SER 2 1.937 -2.911 -1.110 11 HA SER 2 HA SER 2 0.754 -3.191 -3.719 12 HB2 SER 2 HB2 SER 2 3.049 -4.943 -2.859 13 HB3 SER 2 HB3 SER 2 1.834 -5.517 -4.001 14 HG SER 2 HG SER 2 2.363 -3.713 -5.324 15 H TRP 3 H TRP 3 -0.380 -5.415 -3.856 16 HA TRP 3 HA TRP 3 -1.946 -5.689 -1.451 17 HB2 TRP 3 HB2 TRP 3 -3.130 -5.746 -3.540 18 HB3 TRP 3 HB3 TRP 3 -2.097 -7.035 -4.152 19 HD1 TRP 3 HD1 TRP 3 -3.267 -9.298 -4.127 20 HE1 TRP 3 HE1 TRP 3 -5.066 -10.442 -2.684 21 HE3 TRP 3 HE3 TRP 3 -4.096 -5.555 -0.745 22 HZ2 TRP 3 HZ2 TRP 3 -6.629 -9.838 -0.413 23 HZ3 TRP 3 HZ3 TRP 3 -5.759 -5.918 1.032 24 HH2 TRP 3 HH2 TRP 3 -6.999 -8.015 1.192 25 H LEU 4 H LEU 4 -0.331 -8.116 -3.514 26 HA LEU 4 HA LEU 4 -0.408 -10.215 -1.711 27 HB2 LEU 4 HB2 LEU 4 1.763 -9.647 -3.723 28 HB3 LEU 4 HB3 LEU 4 1.400 -11.211 -2.996 29 HG LEU 4 HG LEU 4 -0.655 -9.772 -4.637 30 HD11 LEU 4 HD11 LEU 4 1.515 -9.962 -5.904 31 HD12 LEU 4 HD12 LEU 4 0.128 -10.774 -6.631 32 HD13 LEU 4 HD13 LEU 4 1.346 -11.713 -5.767 33 HD21 LEU 4 HD21 LEU 4 -0.469 -12.261 -3.253 34 HD22 LEU 4 HD22 LEU 4 -0.639 -12.573 -4.981 35 HD23 LEU 4 HD23 LEU 4 -1.834 -11.583 -4.141 36 H ASN 5 H ASN 5 1.755 -7.487 -1.856 37 HA ASN 5 HA ASN 5 3.755 -8.543 -0.128 38 HB2 ASN 5 HB2 ASN 5 3.057 -5.754 -1.030 39 HB3 ASN 5 HB3 ASN 5 4.353 -6.059 0.123 40 HD21 ASN 5 HD21 ASN 5 5.417 -4.912 -1.789 41 HD22 ASN 5 HD22 ASN 5 6.122 -5.942 -2.984 42 H PHE 6 H PHE 6 0.919 -6.482 0.364 43 HA PHE 6 HA PHE 6 1.331 -5.916 3.079 44 HB2 PHE 6 HB2 PHE 6 -0.297 -4.708 1.692 45 HB3 PHE 6 HB3 PHE 6 -1.283 -6.162 1.575 46 HD1 PHE 6 HD2 PHE 6 -0.198 -3.428 3.744 47 HD2 PHE 6 HD1 PHE 6 -2.618 -6.915 3.435 48 HE1 PHE 6 HE2 PHE 6 -1.393 -2.776 5.794 49 HE2 PHE 6 HE1 PHE 6 -3.817 -6.269 5.484 50 HZ PHE 6 HZ PHE 6 -3.204 -4.197 6.667 51 H LEU 7 H LEU 7 -0.770 -8.389 1.598 52 HA LEU 7 HA LEU 7 -1.624 -9.625 3.925 53 HB2 LEU 7 HB2 LEU 7 -1.050 -10.903 1.256 54 HB3 LEU 7 HB3 LEU 7 -2.024 -11.613 2.541 55 HG LEU 7 HG LEU 7 -2.692 -9.127 0.965 56 HD11 LEU 7 HD11 LEU 7 -3.347 -11.980 0.674 57 HD12 LEU 7 HD12 LEU 7 -3.319 -10.689 -0.527 58 HD13 LEU 7 HD13 LEU 7 -4.709 -10.867 0.544 59 HD21 LEU 7 HD21 LEU 7 -4.324 -10.564 3.055 60 HD22 LEU 7 HD22 LEU 7 -4.783 -9.114 2.162 61 HD23 LEU 7 HD23 LEU 7 -3.453 -9.053 3.320 62 H LYS 8 H LYS 8 1.397 -9.964 2.190 63 HA LYS 8 HA LYS 8 2.275 -12.250 3.699 64 HB2 LYS 8 HB2 LYS 8 3.658 -10.391 1.770 65 HB3 LYS 8 HB3 LYS 8 4.504 -11.692 2.598 66 HG2 LYS 8 HG2 LYS 8 2.030 -12.266 1.023 67 HG3 LYS 8 HG3 LYS 8 3.588 -12.082 0.214 68 HD2 LYS 8 HD2 LYS 8 3.272 -13.924 2.559 69 HD3 LYS 8 HD3 LYS 8 2.837 -14.445 0.930 70 HE2 LYS 8 HE2 LYS 8 5.530 -13.327 1.697 71 HE3 LYS 8 HE3 LYS 8 5.158 -15.048 1.616 72 HZ1 LYS 8 HZ1 LYS 8 4.603 -14.762 -0.732 73 HZ2 LYS 8 HZ2 LYS 8 6.202 -14.313 -0.415 74 HZ3 LYS 8 HZ3 LYS 8 5.020 -13.125 -0.643 75 H TYR 9 H TYR 9 2.512 -8.791 3.966 76 HA TYR 9 HA TYR 9 4.666 -8.778 5.850 77 HB2 TYR 9 HB2 TYR 9 4.328 -6.801 4.543 78 HB3 TYR 9 HB3 TYR 9 2.644 -6.685 5.042 79 HD1 TYR 9 HD1 TYR 9 6.019 -6.846 6.654 80 HD2 TYR 9 HD2 TYR 9 2.154 -5.068 6.603 81 HE1 TYR 9 HE1 TYR 9 6.679 -5.374 8.511 82 HE2 TYR 9 HE2 TYR 9 2.803 -3.590 8.459 83 HH TYR 9 HH TYR 9 4.802 -3.920 10.460 84 H ILE 10 H ILE 10 1.150 -8.290 6.125 85 HA ILE 10 HA ILE 10 1.236 -8.237 8.995 86 HB ILE 10 HB ILE 10 -1.231 -8.240 8.860 87 HG12 ILE 10 HG12 ILE 10 -1.108 -7.997 5.892 88 HG13 ILE 10 HG13 ILE 10 -1.017 -9.612 6.586 89 HG21 ILE 10 HG21 ILE 10 0.538 -6.289 7.595 90 HG22 ILE 10 HG22 ILE 10 -1.147 -6.153 7.096 91 HG23 ILE 10 HG23 ILE 10 -0.724 -6.060 8.806 92 HD11 ILE 10 HD11 ILE 10 -3.310 -8.562 5.908 93 HD12 ILE 10 HD12 ILE 10 -3.163 -9.544 7.366 94 HD13 ILE 10 HD13 ILE 10 -3.182 -7.785 7.486 95 H ALA 11 H ALA 11 1.274 -10.688 6.681 96 HA ALA 11 HA ALA 11 -0.294 -12.710 7.706 97 HB1 ALA 11 HB1 ALA 11 0.656 -13.325 5.728 98 HB2 ALA 11 HB2 ALA 11 2.229 -12.644 6.142 99 HB3 ALA 11 HB3 ALA 11 1.725 -14.185 6.836 100 H LYS 12 H LYS 12 2.798 -11.524 8.854 101 HA LYS 12 HA LYS 12 3.591 -13.587 10.517 102 HB2 LYS 12 HB2 LYS 12 4.763 -11.858 11.839 103 HB3 LYS 12 HB3 LYS 12 5.004 -11.660 10.108 104 HG2 LYS 12 HG2 LYS 12 3.210 -9.929 10.131 105 HG3 LYS 12 HG3 LYS 12 3.185 -10.057 11.891 106 HD2 LYS 12 HD2 LYS 12 5.836 -9.647 10.660 107 HD3 LYS 12 HD3 LYS 12 4.710 -8.293 10.539 108 HE2 LYS 12 HE2 LYS 12 4.692 -7.930 12.789 109 HE3 LYS 12 HE3 LYS 12 4.975 -9.627 13.175 110 HZ1 LYS 12 HZ1 LYS 12 7.260 -8.853 11.919 111 HZ2 LYS 12 HZ2 LYS 12 7.055 -9.004 13.591 112 HZ3 LYS 12 HZ3 LYS 12 6.860 -7.497 12.847 113 H TYR 13 H TYR 13 1.275 -10.990 11.143 114 HA TYR 13 HA TYR 13 0.838 -11.493 13.862 115 HB2 TYR 13 HB2 TYR 13 -1.071 -10.395 11.788 116 HB3 TYR 13 HB3 TYR 13 -1.322 -10.317 13.528 117 HD1 TYR 13 HD2 TYR 13 0.664 -9.199 14.872 118 HD2 TYR 13 HD1 TYR 13 -0.104 -8.581 10.733 119 HE1 TYR 13 HE2 TYR 13 1.915 -7.082 14.962 120 HE2 TYR 13 HE1 TYR 13 1.145 -6.464 10.811 121 HH TYR 13 HH TYR 13 3.247 -5.645 12.909 122 H GLY 14 H GLY 14 -0.243 -13.163 11.025 123 HA2 GLY 14 HA2 GLY 14 -0.861 -15.533 11.502 124 HA3 GLY 14 HA3 GLY 14 -1.943 -14.883 12.725 125 H LYS 15 H LYS 15 -3.616 -16.082 11.612 126 HA LYS 15 HA LYS 15 -4.416 -15.018 9.009 127 HB2 LYS 15 HB2 LYS 15 -5.567 -17.305 10.618 128 HB3 LYS 15 HB3 LYS 15 -6.046 -16.857 8.986 129 HG2 LYS 15 HG2 LYS 15 -3.993 -17.545 8.078 130 HG3 LYS 15 HG3 LYS 15 -3.225 -17.621 9.666 131 HD2 LYS 15 HD2 LYS 15 -5.071 -19.403 10.154 132 HD3 LYS 15 HD3 LYS 15 -5.157 -19.516 8.395 133 HE2 LYS 15 HE2 LYS 15 -2.570 -19.742 8.553 134 HE3 LYS 15 HE3 LYS 15 -2.890 -20.178 10.231 135 HZ1 LYS 15 HZ1 LYS 15 -4.269 -21.520 7.986 136 HZ2 LYS 15 HZ2 LYS 15 -4.103 -22.049 9.584 137 HZ3 LYS 15 HZ3 LYS 15 -2.765 -22.052 8.549 138 H LYS 16 H LYS 16 -4.635 -13.522 11.581 139 HA LYS 16 HA LYS 16 -7.547 -13.250 11.811 140 HB2 LYS 16 HB2 LYS 16 -5.247 -12.433 13.564 141 HB3 LYS 16 HB3 LYS 16 -6.831 -11.695 13.760 142 HG2 LYS 16 HG2 LYS 16 -6.470 -14.670 13.791 143 HG3 LYS 16 HG3 LYS 16 -6.254 -13.687 15.241 144 HD2 LYS 16 HD2 LYS 16 -8.577 -12.735 14.698 145 HD3 LYS 16 HD3 LYS 16 -8.739 -14.115 13.610 146 HE2 LYS 16 HE2 LYS 16 -8.816 -15.629 15.321 147 HE3 LYS 16 HE3 LYS 16 -7.836 -14.631 16.394 148 HZ1 LYS 16 HZ1 LYS 16 -9.821 -13.108 16.502 149 HZ2 LYS 16 HZ2 LYS 16 -9.999 -14.604 17.270 150 HZ3 LYS 16 HZ3 LYS 16 -10.714 -14.338 15.759 151 H ALA 17 H ALA 17 -4.617 -11.399 11.124 152 HA ALA 17 HA ALA 17 -6.053 -8.950 10.653 153 HB1 ALA 17 HB1 ALA 17 -3.853 -8.695 11.470 154 HB2 ALA 17 HB2 ALA 17 -3.189 -9.767 10.237 155 HB3 ALA 17 HB3 ALA 17 -3.805 -8.178 9.784 156 H VAL 18 H VAL 18 -4.885 -11.628 8.740 157 HA VAL 18 HA VAL 18 -5.048 -10.389 6.199 158 HB VAL 18 HB VAL 18 -3.810 -12.503 6.649 159 HG11 VAL 18 HG11 VAL 18 -6.554 -13.757 6.651 160 HG12 VAL 18 HG12 VAL 18 -5.011 -14.609 6.740 161 HG13 VAL 18 HG13 VAL 18 -5.520 -13.564 8.067 162 HG21 VAL 18 HG21 VAL 18 -5.824 -12.310 4.441 163 HG22 VAL 18 HG22 VAL 18 -4.079 -12.061 4.383 164 HG23 VAL 18 HG23 VAL 18 -4.732 -13.691 4.545 165 H SER 19 H SER 19 -7.391 -11.947 8.266 166 HA SER 19 HA SER 19 -9.407 -12.361 6.326 167 HB2 SER 19 HB2 SER 19 -9.184 -13.270 8.774 168 HB3 SER 19 HB3 SER 19 -10.062 -11.801 9.200 169 HG SER 19 HG SER 19 -11.731 -12.459 7.825 170 H ALA 20 H ALA 20 -8.886 -9.746 8.679 171 HA ALA 20 HA ALA 20 -11.116 -8.198 7.964 172 HB1 ALA 20 HB1 ALA 20 -9.593 -6.293 8.907 173 HB2 ALA 20 HB2 ALA 20 -10.204 -7.558 9.974 174 HB3 ALA 20 HB3 ALA 20 -8.548 -7.636 9.373 175 H ALA 21 H ALA 21 -7.940 -8.497 6.548 176 HA ALA 21 HA ALA 21 -8.084 -6.136 4.948 177 HB1 ALA 21 HB1 ALA 21 -6.366 -8.538 4.385 178 HB2 ALA 21 HB2 ALA 21 -6.067 -6.852 3.958 179 HB3 ALA 21 HB3 ALA 21 -5.980 -7.364 5.644 180 H TRP 22 H TRP 22 -9.091 -9.457 4.560 181 HA TRP 22 HA TRP 22 -9.508 -9.297 1.731 182 HB2 TRP 22 HB2 TRP 22 -10.041 -11.288 3.873 183 HB3 TRP 22 HB3 TRP 22 -11.026 -11.398 2.417 184 HD1 TRP 22 HD1 TRP 22 -7.815 -12.546 3.780 185 HE1 TRP 22 HE1 TRP 22 -6.324 -13.518 1.920 186 HE3 TRP 22 HE3 TRP 22 -10.381 -10.833 -0.296 187 HZ2 TRP 22 HZ2 TRP 22 -6.246 -13.553 -0.901 188 HZ3 TRP 22 HZ3 TRP 22 -9.531 -11.379 -2.540 189 HH2 TRP 22 HH2 TRP 22 -7.506 -12.710 -2.834 190 H LYS 23 H LYS 23 -11.679 -9.295 4.552 191 HA LYS 23 HA LYS 23 -14.077 -8.963 3.150 192 HB2 LYS 23 HB2 LYS 23 -13.826 -9.566 5.581 193 HB3 LYS 23 HB3 LYS 23 -13.468 -7.874 5.901 194 HG2 LYS 23 HG2 LYS 23 -15.726 -7.410 4.745 195 HG3 LYS 23 HG3 LYS 23 -16.041 -9.124 5.030 196 HD2 LYS 23 HD2 LYS 23 -15.052 -7.465 7.297 197 HD3 LYS 23 HD3 LYS 23 -16.734 -7.285 6.793 198 HE2 LYS 23 HE2 LYS 23 -16.963 -8.960 8.329 199 HE3 LYS 23 HE3 LYS 23 -16.679 -9.921 6.879 200 HZ1 LYS 23 HZ1 LYS 23 -15.165 -10.863 8.254 201 HZ2 LYS 23 HZ2 LYS 23 -14.937 -9.464 9.177 202 HZ3 LYS 23 HZ3 LYS 23 -14.194 -9.610 7.663 203 H TYR 24 H TYR 24 -11.868 -6.551 4.526 204 HA TYR 24 HA TYR 24 -13.413 -4.426 3.223 205 HB2 TYR 24 HB2 TYR 24 -11.120 -4.100 5.161 206 HB3 TYR 24 HB3 TYR 24 -12.285 -2.879 4.665 207 HD1 TYR 24 HD1 TYR 24 -14.835 -4.290 4.923 208 HD2 TYR 24 HD2 TYR 24 -11.413 -4.371 7.449 209 HE1 TYR 24 HE1 TYR 24 -16.268 -4.877 6.834 210 HE2 TYR 24 HE2 TYR 24 -12.836 -4.959 9.368 211 HH TYR 24 HH TYR 24 -14.919 -5.242 10.096 212 H LYS 25 H LYS 25 -11.656 -6.297 1.786 213 HA LYS 25 HA LYS 25 -9.185 -5.253 1.102 214 HB2 LYS 25 HB2 LYS 25 -10.001 -7.453 0.360 215 HB3 LYS 25 HB3 LYS 25 -11.151 -6.664 -0.712 216 HG2 LYS 25 HG2 LYS 25 -9.346 -5.733 -2.023 217 HG3 LYS 25 HG3 LYS 25 -8.156 -6.415 -0.912 218 HD2 LYS 25 HD2 LYS 25 -8.159 -7.981 -2.607 219 HD3 LYS 25 HD3 LYS 25 -9.333 -8.673 -1.485 220 HE2 LYS 25 HE2 LYS 25 -10.191 -8.789 -3.742 221 HE3 LYS 25 HE3 LYS 25 -11.150 -7.650 -2.798 222 HZ1 LYS 25 HZ1 LYS 25 -10.115 -5.830 -3.851 223 HZ2 LYS 25 HZ2 LYS 25 -10.525 -6.904 -5.091 224 HZ3 LYS 25 HZ3 LYS 25 -8.923 -6.800 -4.557 225 H GLY 26 H GLY 26 -12.390 -4.323 -0.007 226 HA2 GLY 26 HA2 GLY 26 -11.689 -2.736 -2.194 227 HA3 GLY 26 HA3 GLY 26 -13.115 -2.498 -1.195 228 H LYS 27 H LYS 27 -11.490 -2.065 1.229 229 HA LYS 27 HA LYS 27 -10.809 0.733 0.691 230 HB2 LYS 27 HB2 LYS 27 -11.077 -0.574 3.395 231 HB3 LYS 27 HB3 LYS 27 -11.126 1.142 3.016 232 HG2 LYS 27 HG2 LYS 27 -13.343 0.844 3.196 233 HG3 LYS 27 HG3 LYS 27 -13.197 0.275 1.532 234 HD2 LYS 27 HD2 LYS 27 -12.672 -2.014 2.814 235 HD3 LYS 27 HD3 LYS 27 -13.695 -1.241 4.028 236 HE2 LYS 27 HE2 LYS 27 -14.511 -1.413 1.143 237 HE3 LYS 27 HE3 LYS 27 -14.830 -2.725 2.276 238 HZ1 LYS 27 HZ1 LYS 27 -16.116 -0.155 2.027 239 HZ2 LYS 27 HZ2 LYS 27 -15.734 -0.577 3.619 240 HZ3 LYS 27 HZ3 LYS 27 -16.702 -1.600 2.683 241 H VAL 28 H VAL 28 -9.425 -2.289 1.710 242 HA VAL 28 HA VAL 28 -7.069 -1.381 2.917 243 HB VAL 28 HB VAL 28 -7.471 -3.894 1.288 244 HG11 VAL 28 HG11 VAL 28 -5.582 -4.760 2.651 245 HG12 VAL 28 HG12 VAL 28 -5.123 -3.455 1.556 246 HG13 VAL 28 HG13 VAL 28 -5.337 -3.130 3.276 247 HG21 VAL 28 HG21 VAL 28 -8.471 -3.076 3.856 248 HG22 VAL 28 HG22 VAL 28 -8.800 -4.550 2.946 249 HG23 VAL 28 HG23 VAL 28 -7.408 -4.472 4.026 250 H LEU 29 H LEU 29 -7.509 -2.513 -0.440 251 HA LEU 29 HA LEU 29 -5.002 -1.898 -1.410 252 HB2 LEU 29 HB2 LEU 29 -7.707 -2.045 -2.660 253 HB3 LEU 29 HB3 LEU 29 -6.346 -1.463 -3.616 254 HG LEU 29 HG LEU 29 -6.737 -3.815 -4.040 255 HD11 LEU 29 HD11 LEU 29 -4.312 -4.121 -2.447 256 HD12 LEU 29 HD12 LEU 29 -4.324 -2.668 -3.447 257 HD13 LEU 29 HD13 LEU 29 -4.553 -4.251 -4.190 258 HD21 LEU 29 HD21 LEU 29 -6.467 -5.486 -2.283 259 HD22 LEU 29 HD22 LEU 29 -7.803 -4.393 -1.919 260 HD23 LEU 29 HD23 LEU 29 -6.258 -4.207 -1.087 261 H GLU 30 H GLU 30 -7.785 0.215 -0.979 262 HA GLU 30 HA GLU 30 -6.832 2.448 -2.379 263 HB2 GLU 30 HB2 GLU 30 -8.733 2.169 -0.058 264 HB3 GLU 30 HB3 GLU 30 -8.359 3.731 -0.773 265 HG2 GLU 30 HG2 GLU 30 -9.033 2.566 -3.000 266 HG3 GLU 30 HG3 GLU 30 -9.853 1.427 -1.933 267 H TRP 31 H TRP 31 -6.204 1.296 0.872 268 HA TRP 31 HA TRP 31 -4.798 3.686 1.662 269 HB2 TRP 31 HB2 TRP 31 -5.125 0.977 2.959 270 HB3 TRP 31 HB3 TRP 31 -4.183 2.282 3.675 271 HD1 TRP 31 HD1 TRP 31 -6.163 4.699 3.091 272 HE1 TRP 31 HE1 TRP 31 -8.380 4.862 4.389 273 HE3 TRP 31 HE3 TRP 31 -6.626 -0.186 4.526 274 HZ2 TRP 31 HZ2 TRP 31 -10.097 3.148 5.831 275 HZ3 TRP 31 HZ3 TRP 31 -8.585 -0.842 5.864 276 HH2 TRP 31 HH2 TRP 31 -10.283 0.792 6.502 277 H LEU 32 H LEU 32 -4.025 0.651 0.182 278 HA LEU 32 HA LEU 32 -1.265 0.571 0.795 279 HB2 LEU 32 HB2 LEU 32 -2.775 -0.592 -1.540 280 HB3 LEU 32 HB3 LEU 32 -1.111 -0.987 -1.115 281 HG LEU 32 HG LEU 32 -3.541 -1.562 0.580 282 HD11 LEU 32 HD11 LEU 32 -2.574 -2.908 -1.676 283 HD12 LEU 32 HD12 LEU 32 -3.754 -3.486 -0.500 284 HD13 LEU 32 HD13 LEU 32 -2.043 -3.853 -0.285 285 HD21 LEU 32 HD21 LEU 32 -1.553 -3.112 1.548 286 HD22 LEU 32 HD22 LEU 32 -1.986 -1.534 2.207 287 HD23 LEU 32 HD23 LEU 32 -0.642 -1.678 1.073 288 H ASN 33 H ASN 33 -3.122 2.378 -1.487 289 HA ASN 33 HA ASN 33 -0.734 3.150 -2.991 290 HB2 ASN 33 HB2 ASN 33 -2.763 2.541 -4.261 291 HB3 ASN 33 HB3 ASN 33 -3.637 3.853 -3.475 292 HD21 ASN 33 HD21 ASN 33 -3.670 5.743 -4.461 293 HD22 ASN 33 HD22 ASN 33 -2.611 6.238 -5.733 294 H VAL 34 H VAL 34 -3.562 4.895 -1.688 295 HA VAL 34 HA VAL 34 -2.473 7.429 -1.663 296 HB VAL 34 HB VAL 34 -4.131 8.045 -0.019 297 HG11 VAL 34 HG11 VAL 34 -5.741 7.858 -1.541 298 HG12 VAL 34 HG12 VAL 34 -4.678 6.775 -2.442 299 HG13 VAL 34 HG13 VAL 34 -5.848 6.115 -1.299 300 HG21 VAL 34 HG21 VAL 34 -3.916 5.208 0.712 301 HG22 VAL 34 HG22 VAL 34 -4.312 6.610 1.706 302 HG23 VAL 34 HG23 VAL 34 -5.557 5.855 0.711 303 H GLY 35 H GLY 35 -1.964 4.796 0.576 304 HA2 GLY 35 HA2 GLY 35 -0.663 6.465 2.551 305 HA3 GLY 35 HA3 GLY 35 -0.812 4.715 2.595 306 HA PRO 36 HA PRO 36 3.513 6.192 1.261 307 HB2 PRO 36 HB2 PRO 36 4.836 5.686 3.577 308 HB3 PRO 36 HB3 PRO 36 4.101 7.251 3.213 309 HG2 PRO 36 HG2 PRO 36 3.050 5.011 4.898 310 HG3 PRO 36 HG3 PRO 36 3.028 6.756 5.216 311 HD2 PRO 36 HD2 PRO 36 0.864 5.417 4.290 312 HD3 PRO 36 HD3 PRO 36 1.196 7.107 3.862 313 H THR 37 H THR 37 2.788 3.592 3.596 314 HA THR 37 HA THR 37 3.731 1.600 1.718 315 HB THR 37 HB THR 37 5.234 0.580 3.531 316 HG1 THR 37 HG1 THR 37 5.753 1.805 5.211 317 HG21 THR 37 HG21 THR 37 6.450 3.127 2.596 318 HG22 THR 37 HG22 THR 37 5.832 2.015 1.375 319 HG23 THR 37 HG23 THR 37 7.070 1.479 2.509 320 H LEU 38 H LEU 38 3.754 -0.638 3.025 321 HA LEU 38 HA LEU 38 1.079 -1.125 3.743 322 HB2 LEU 38 HB2 LEU 38 3.421 -2.869 4.461 323 HB3 LEU 38 HB3 LEU 38 1.749 -3.358 4.199 324 HG LEU 38 HG LEU 38 3.593 -2.319 2.050 325 HD11 LEU 38 HD11 LEU 38 4.533 -4.352 2.323 326 HD12 LEU 38 HD12 LEU 38 3.135 -4.876 1.386 327 HD13 LEU 38 HD13 LEU 38 3.121 -5.018 3.144 328 HD21 LEU 38 HD21 LEU 38 1.432 -3.846 1.053 329 HD22 LEU 38 HD22 LEU 38 1.762 -2.130 0.813 330 HD23 LEU 38 HD23 LEU 38 0.767 -2.655 2.172 331 H GLU 39 H GLU 39 3.888 -0.275 5.614 332 HA GLU 39 HA GLU 39 3.064 -1.108 8.153 333 HB2 GLU 39 HB2 GLU 39 5.104 0.617 7.044 334 HB3 GLU 39 HB3 GLU 39 4.447 1.301 8.525 335 HG2 GLU 39 HG2 GLU 39 5.152 -0.480 9.819 336 HG3 GLU 39 HG3 GLU 39 5.279 -1.565 8.435 337 H TRP 40 H TRP 40 2.107 1.615 6.210 338 HA TRP 40 HA TRP 40 0.812 3.002 8.384 339 HB2 TRP 40 HB2 TRP 40 1.799 4.197 6.434 340 HB3 TRP 40 HB3 TRP 40 0.565 3.474 5.406 341 HD1 TRP 40 HD1 TRP 40 0.794 5.849 8.460 342 HE1 TRP 40 HE1 TRP 40 -1.194 7.480 8.347 343 HE3 TRP 40 HE3 TRP 40 -1.610 3.916 4.384 344 HZ2 TRP 40 HZ2 TRP 40 -3.479 7.893 6.742 345 HZ3 TRP 40 HZ3 TRP 40 -3.691 4.987 3.624 346 HH2 TRP 40 HH2 TRP 40 -4.605 6.934 4.780 347 H VAL 41 H VAL 41 -0.264 1.227 5.492 348 HA VAL 41 HA VAL 41 -3.009 1.439 5.893 349 HB VAL 41 HB VAL 41 -1.587 -0.951 4.716 350 HG11 VAL 41 HG11 VAL 41 -3.817 -1.559 4.925 351 HG12 VAL 41 HG12 VAL 41 -4.397 0.077 4.604 352 HG13 VAL 41 HG13 VAL 41 -3.744 -0.902 3.290 353 HG21 VAL 41 HG21 VAL 41 -2.087 1.785 3.661 354 HG22 VAL 41 HG22 VAL 41 -0.712 0.710 3.408 355 HG23 VAL 41 HG23 VAL 41 -2.227 0.421 2.553 356 H TRP 42 H TRP 42 -0.702 -0.908 7.178 357 HA TRP 42 HA TRP 42 -2.450 -2.732 8.312 358 HB2 TRP 42 HB2 TRP 42 -0.128 -3.251 8.293 359 HB3 TRP 42 HB3 TRP 42 0.277 -1.793 9.194 360 HD1 TRP 42 HD1 TRP 42 1.200 -2.625 11.438 361 HE1 TRP 42 HE1 TRP 42 0.404 -4.261 13.258 362 HE3 TRP 42 HE3 TRP 42 -2.934 -4.503 9.089 363 HZ2 TRP 42 HZ2 TRP 42 -1.698 -6.104 13.647 364 HZ3 TRP 42 HZ3 TRP 42 -4.283 -6.200 10.253 365 HH2 TRP 42 HH2 TRP 42 -3.676 -6.983 12.485 366 H GLN 43 H GLN 43 -1.476 0.436 9.447 367 HA GLN 43 HA GLN 43 -2.683 0.120 12.040 368 HB2 GLN 43 HB2 GLN 43 -1.780 2.653 10.661 369 HB3 GLN 43 HB3 GLN 43 -2.123 2.461 12.375 370 HG2 GLN 43 HG2 GLN 43 0.061 1.008 10.901 371 HG3 GLN 43 HG3 GLN 43 0.288 2.489 11.830 372 HE21 GLN 43 HE21 GLN 43 1.745 0.309 12.470 373 HE22 GLN 43 HE22 GLN 43 1.209 -0.357 13.971 374 H LYS 44 H LYS 44 -3.417 2.171 9.215 375 HA LYS 44 HA LYS 44 -5.820 3.221 10.093 376 HB2 LYS 44 HB2 LYS 44 -4.648 2.677 7.404 377 HB3 LYS 44 HB3 LYS 44 -6.347 3.124 7.493 378 HG2 LYS 44 HG2 LYS 44 -4.330 4.787 8.922 379 HG3 LYS 44 HG3 LYS 44 -4.506 4.944 7.172 380 HD2 LYS 44 HD2 LYS 44 -7.077 5.074 7.836 381 HD3 LYS 44 HD3 LYS 44 -6.391 5.664 9.351 382 HE2 LYS 44 HE2 LYS 44 -5.103 7.341 8.047 383 HE3 LYS 44 HE3 LYS 44 -5.939 6.798 6.593 384 HZ1 LYS 44 HZ1 LYS 44 -8.054 7.343 7.844 385 HZ2 LYS 44 HZ2 LYS 44 -7.120 8.658 7.334 386 HZ3 LYS 44 HZ3 LYS 44 -7.079 8.169 8.953 387 H LEU 45 H LEU 45 -5.195 0.140 8.485 388 HA LEU 45 HA LEU 45 -7.923 -0.589 8.184 389 HB2 LEU 45 HB2 LEU 45 -6.427 -1.697 6.775 390 HB3 LEU 45 HB3 LEU 45 -5.330 -2.088 8.098 391 HG LEU 45 HG LEU 45 -7.036 -3.696 8.947 392 HD11 LEU 45 HD11 LEU 45 -8.793 -2.391 7.370 393 HD12 LEU 45 HD12 LEU 45 -9.032 -4.032 7.968 394 HD13 LEU 45 HD13 LEU 45 -8.401 -3.770 6.343 395 HD21 LEU 45 HD21 LEU 45 -6.630 -4.715 6.255 396 HD22 LEU 45 HD22 LEU 45 -5.991 -5.294 7.793 397 HD23 LEU 45 HD23 LEU 45 -5.174 -3.987 6.934 398 H LYS 46 H LYS 46 -5.511 -1.126 10.690 399 HA LYS 46 HA LYS 46 -6.770 -3.049 12.226 400 HB2 LYS 46 HB2 LYS 46 -4.487 -1.687 12.496 401 HB3 LYS 46 HB3 LYS 46 -5.459 -0.794 13.658 402 HG2 LYS 46 HG2 LYS 46 -5.765 -2.663 15.019 403 HG3 LYS 46 HG3 LYS 46 -5.293 -3.784 13.740 404 HD2 LYS 46 HD2 LYS 46 -3.020 -2.447 13.891 405 HD3 LYS 46 HD3 LYS 46 -3.601 -2.102 15.522 406 HE2 LYS 46 HE2 LYS 46 -3.746 -4.912 14.586 407 HE3 LYS 46 HE3 LYS 46 -2.147 -4.259 14.937 408 HZ1 LYS 46 HZ1 LYS 46 -2.529 -4.498 17.089 409 HZ2 LYS 46 HZ2 LYS 46 -4.017 -5.225 16.745 410 HZ3 LYS 46 HZ3 LYS 46 -3.931 -3.555 17.003 411 H LYS 47 H LYS 47 -7.531 0.326 11.853 412 HA LYS 47 HA LYS 47 -9.196 0.565 14.151 413 HB2 LYS 47 HB2 LYS 47 -8.110 2.439 12.768 414 HB3 LYS 47 HB3 LYS 47 -9.452 2.225 11.652 415 HG2 LYS 47 HG2 LYS 47 -9.905 4.045 13.173 416 HG3 LYS 47 HG3 LYS 47 -11.027 2.714 13.466 417 HD2 LYS 47 HD2 LYS 47 -9.861 2.049 15.424 418 HD3 LYS 47 HD3 LYS 47 -8.493 3.099 15.048 419 HE2 LYS 47 HE2 LYS 47 -9.648 4.266 16.702 420 HE3 LYS 47 HE3 LYS 47 -10.190 5.021 15.204 421 HZ1 LYS 47 HZ1 LYS 47 -11.898 4.318 17.012 422 HZ2 LYS 47 HZ2 LYS 47 -11.734 2.784 16.317 423 HZ3 LYS 47 HZ3 LYS 47 -12.259 4.088 15.375 424 H ILE 48 H ILE 48 -10.100 0.556 10.697 425 HA ILE 48 HA ILE 48 -12.821 0.200 11.033 426 HB ILE 48 HB ILE 48 -11.875 0.749 8.869 427 HG12 ILE 48 HG12 ILE 48 -13.228 -1.944 8.650 428 HG13 ILE 48 HG13 ILE 48 -14.087 -0.463 9.062 429 HG21 ILE 48 HG21 ILE 48 -10.724 -0.944 7.513 430 HG22 ILE 48 HG22 ILE 48 -9.837 -0.561 8.988 431 HG23 ILE 48 HG23 ILE 48 -10.768 -2.055 8.882 432 HD11 ILE 48 HD11 ILE 48 -13.885 -1.396 6.574 433 HD12 ILE 48 HD12 ILE 48 -14.012 0.323 6.950 434 HD13 ILE 48 HD13 ILE 48 -12.435 -0.393 6.619 435 H ALA 49 H ALA 49 -10.243 -2.170 11.116 436 HA ALA 49 HA ALA 49 -12.045 -4.426 11.126 437 HB1 ALA 49 HB1 ALA 49 -9.651 -4.377 10.211 438 HB2 ALA 49 HB2 ALA 49 -9.148 -4.534 11.895 439 HB3 ALA 49 HB3 ALA 49 -10.147 -5.784 11.152 440 H GLY 50 H GLY 50 -10.498 -2.372 13.462 441 HA2 GLY 50 HA2 GLY 50 -10.598 -2.298 15.754 442 HA3 GLY 50 HA3 GLY 50 -12.121 -3.160 15.588 443 H LEU 51 H LEU 51 -8.744 -4.087 14.935 444 HA LEU 51 HA LEU 51 -9.154 -6.683 16.074 445 HB2 LEU 51 HB2 LEU 51 -6.504 -5.434 15.407 446 HB3 LEU 51 HB3 LEU 51 -6.919 -7.146 15.459 447 HG LEU 51 HG LEU 51 -8.098 -5.255 13.437 448 HD11 LEU 51 HD11 LEU 51 -6.045 -7.044 12.444 449 HD12 LEU 51 HD12 LEU 51 -5.411 -5.880 13.606 450 HD13 LEU 51 HD13 LEU 51 -6.269 -5.316 12.172 451 HD21 LEU 51 HD21 LEU 51 -7.942 -8.241 13.739 452 HD22 LEU 51 HD22 LEU 51 -8.309 -7.466 12.197 453 HD23 LEU 51 HD23 LEU 51 -9.374 -7.224 13.582 Start of MODEL 10 1 H1 MET 1 H MET 1 1.499 -0.406 -0.081 2 HA MET 1 HA MET 1 2.726 0.316 -2.579 3 HB2 MET 1 HB2 MET 1 3.955 0.070 -0.394 4 HB3 MET 1 HB3 MET 1 3.725 -1.668 -0.533 5 HG2 MET 1 HG2 MET 1 5.919 -1.120 -1.295 6 HG3 MET 1 HG3 MET 1 4.948 -1.615 -2.679 7 HE1 MET 1 HE1 MET 1 4.908 0.630 -5.072 8 HE2 MET 1 HE2 MET 1 6.638 0.386 -4.829 9 HE3 MET 1 HE3 MET 1 5.507 -0.928 -4.502 10 H SER 2 H SER 2 1.952 -2.824 -1.065 11 HA SER 2 HA SER 2 1.251 -3.876 -3.698 12 HB2 SER 2 HB2 SER 2 3.541 -4.779 -2.023 13 HB3 SER 2 HB3 SER 2 2.592 -6.021 -2.839 14 HG SER 2 HG SER 2 2.919 -4.542 -4.759 15 H TRP 3 H TRP 3 -0.110 -5.704 -3.643 16 HA TRP 3 HA TRP 3 -1.770 -5.828 -1.292 17 HB2 TRP 3 HB2 TRP 3 -2.877 -5.876 -3.423 18 HB3 TRP 3 HB3 TRP 3 -1.901 -7.240 -3.960 19 HD1 TRP 3 HD1 TRP 3 -3.227 -9.415 -3.942 20 HE1 TRP 3 HE1 TRP 3 -5.131 -10.417 -2.530 21 HE3 TRP 3 HE3 TRP 3 -3.898 -5.570 -0.641 22 HZ2 TRP 3 HZ2 TRP 3 -6.710 -9.675 -0.311 23 HZ3 TRP 3 HZ3 TRP 3 -5.626 -5.795 1.096 24 HH2 TRP 3 HH2 TRP 3 -7.002 -7.805 1.256 25 H LEU 4 H LEU 4 -0.328 -8.449 -3.236 26 HA LEU 4 HA LEU 4 -0.553 -10.449 -1.340 27 HB2 LEU 4 HB2 LEU 4 1.592 -10.102 -3.430 28 HB3 LEU 4 HB3 LEU 4 1.248 -11.600 -2.566 29 HG LEU 4 HG LEU 4 -0.783 -10.230 -4.314 30 HD11 LEU 4 HD11 LEU 4 0.267 -12.562 -5.541 31 HD12 LEU 4 HD12 LEU 4 1.615 -11.497 -5.143 32 HD13 LEU 4 HD13 LEU 4 0.284 -10.901 -6.134 33 HD21 LEU 4 HD21 LEU 4 -1.467 -12.768 -4.388 34 HD22 LEU 4 HD22 LEU 4 -1.954 -11.734 -3.044 35 HD23 LEU 4 HD23 LEU 4 -0.578 -12.824 -2.866 36 H ASN 5 H ASN 5 1.859 -7.938 -1.647 37 HA ASN 5 HA ASN 5 3.762 -9.055 0.137 38 HB2 ASN 5 HB2 ASN 5 4.277 -7.265 -1.516 39 HB3 ASN 5 HB3 ASN 5 3.328 -6.140 -0.549 40 HD21 ASN 5 HD21 ASN 5 5.330 -4.925 -0.488 41 HD22 ASN 5 HD22 ASN 5 6.519 -5.320 0.703 42 H PHE 6 H PHE 6 1.243 -6.578 0.560 43 HA PHE 6 HA PHE 6 1.667 -5.972 3.224 44 HB2 PHE 6 HB2 PHE 6 0.102 -4.719 1.840 45 HB3 PHE 6 HB3 PHE 6 -0.958 -6.121 1.728 46 HD1 PHE 6 HD2 PHE 6 -2.309 -6.814 3.626 47 HD2 PHE 6 HD1 PHE 6 0.185 -3.371 3.826 48 HE1 PHE 6 HE2 PHE 6 -3.503 -6.070 5.644 49 HE2 PHE 6 HE1 PHE 6 -1.004 -2.622 5.846 50 HZ PHE 6 HZ PHE 6 -2.852 -3.972 6.757 51 H LEU 7 H LEU 7 -0.515 -8.452 1.892 52 HA LEU 7 HA LEU 7 -1.470 -9.474 4.289 53 HB2 LEU 7 HB2 LEU 7 -0.908 -10.965 1.730 54 HB3 LEU 7 HB3 LEU 7 -1.935 -11.536 3.043 55 HG LEU 7 HG LEU 7 -2.508 -9.029 1.475 56 HD11 LEU 7 HD11 LEU 7 -3.386 -11.863 0.981 57 HD12 LEU 7 HD12 LEU 7 -2.570 -10.766 -0.132 58 HD13 LEU 7 HD13 LEU 7 -4.240 -10.458 0.341 59 HD21 LEU 7 HD21 LEU 7 -3.992 -10.677 3.492 60 HD22 LEU 7 HD22 LEU 7 -4.849 -9.648 2.344 61 HD23 LEU 7 HD23 LEU 7 -3.697 -8.938 3.475 62 H LYS 8 H LYS 8 1.379 -10.479 2.418 63 HA LYS 8 HA LYS 8 2.196 -12.576 4.075 64 HB2 LYS 8 HB2 LYS 8 3.077 -11.630 1.732 65 HB3 LYS 8 HB3 LYS 8 4.285 -10.901 2.781 66 HG2 LYS 8 HG2 LYS 8 4.404 -13.374 3.731 67 HG3 LYS 8 HG3 LYS 8 3.820 -13.748 2.108 68 HD2 LYS 8 HD2 LYS 8 6.121 -11.874 2.440 69 HD3 LYS 8 HD3 LYS 8 6.391 -13.611 2.602 70 HE2 LYS 8 HE2 LYS 8 5.004 -12.373 0.234 71 HE3 LYS 8 HE3 LYS 8 6.745 -12.640 0.296 72 HZ1 LYS 8 HZ1 LYS 8 5.179 -14.955 0.993 73 HZ2 LYS 8 HZ2 LYS 8 6.495 -14.817 -0.061 74 HZ3 LYS 8 HZ3 LYS 8 4.938 -14.428 -0.597 75 H TYR 9 H TYR 9 2.551 -9.128 4.403 76 HA TYR 9 HA TYR 9 4.558 -9.264 6.454 77 HB2 TYR 9 HB2 TYR 9 4.512 -7.286 5.109 78 HB3 TYR 9 HB3 TYR 9 2.805 -7.022 5.446 79 HD1 TYR 9 HD1 TYR 9 5.859 -7.602 7.535 80 HD2 TYR 9 HD2 TYR 9 2.440 -5.184 6.779 81 HE1 TYR 9 HE1 TYR 9 6.464 -6.163 9.435 82 HE2 TYR 9 HE2 TYR 9 3.036 -3.738 8.677 83 HH TYR 9 HH TYR 9 5.980 -3.658 10.074 84 H ILE 10 H ILE 10 1.125 -8.294 6.446 85 HA ILE 10 HA ILE 10 0.877 -8.129 9.244 86 HB ILE 10 HB ILE 10 -1.561 -8.233 8.861 87 HG12 ILE 10 HG12 ILE 10 -1.063 -8.376 5.912 88 HG13 ILE 10 HG13 ILE 10 -1.153 -9.868 6.842 89 HG21 ILE 10 HG21 ILE 10 0.139 -6.238 8.230 90 HG22 ILE 10 HG22 ILE 10 -0.685 -6.452 6.687 91 HG23 ILE 10 HG23 ILE 10 -1.616 -6.097 8.141 92 HD11 ILE 10 HD11 ILE 10 -3.272 -8.834 5.694 93 HD12 ILE 10 HD12 ILE 10 -3.378 -9.628 7.266 94 HD13 ILE 10 HD13 ILE 10 -3.322 -7.868 7.169 95 H ALA 11 H ALA 11 0.984 -10.820 7.127 96 HA ALA 11 HA ALA 11 -0.565 -12.730 8.377 97 HB1 ALA 11 HB1 ALA 11 1.491 -12.700 6.431 98 HB2 ALA 11 HB2 ALA 11 1.870 -13.971 7.594 99 HB3 ALA 11 HB3 ALA 11 0.314 -13.970 6.764 100 H LYS 12 H LYS 12 2.487 -11.375 9.382 101 HA LYS 12 HA LYS 12 3.360 -13.293 11.191 102 HB2 LYS 12 HB2 LYS 12 4.562 -11.467 12.308 103 HB3 LYS 12 HB3 LYS 12 4.714 -11.363 10.559 104 HG2 LYS 12 HG2 LYS 12 2.677 -9.746 10.763 105 HG3 LYS 12 HG3 LYS 12 3.212 -9.605 12.440 106 HD2 LYS 12 HD2 LYS 12 5.339 -9.375 10.419 107 HD3 LYS 12 HD3 LYS 12 4.142 -8.077 10.403 108 HE2 LYS 12 HE2 LYS 12 4.738 -7.318 12.472 109 HE3 LYS 12 HE3 LYS 12 5.249 -8.911 13.029 110 HZ1 LYS 12 HZ1 LYS 12 6.841 -7.788 10.888 111 HZ2 LYS 12 HZ2 LYS 12 7.329 -8.591 12.295 112 HZ3 LYS 12 HZ3 LYS 12 6.930 -6.948 12.354 113 H TYR 13 H TYR 13 0.918 -10.787 11.552 114 HA TYR 13 HA TYR 13 0.565 -11.085 14.352 115 HB2 TYR 13 HB2 TYR 13 -1.378 -10.037 12.284 116 HB3 TYR 13 HB3 TYR 13 -1.504 -9.808 14.024 117 HD1 TYR 13 HD2 TYR 13 0.618 -8.682 15.137 118 HD2 TYR 13 HD1 TYR 13 -0.414 -8.360 11.021 119 HE1 TYR 13 HE2 TYR 13 1.959 -6.628 14.967 120 HE2 TYR 13 HE1 TYR 13 0.926 -6.305 10.840 121 HH TYR 13 HH TYR 13 2.264 -4.732 13.638 122 H GLY 14 H GLY 14 -0.566 -12.848 11.599 123 HA2 GLY 14 HA2 GLY 14 -1.254 -15.180 12.322 124 HA3 GLY 14 HA3 GLY 14 -2.437 -14.348 13.320 125 H LYS 15 H LYS 15 -3.983 -15.686 12.135 126 HA LYS 15 HA LYS 15 -4.456 -14.881 9.365 127 HB2 LYS 15 HB2 LYS 15 -5.852 -16.982 11.034 128 HB3 LYS 15 HB3 LYS 15 -6.081 -16.710 9.311 129 HG2 LYS 15 HG2 LYS 15 -3.338 -17.285 10.303 130 HG3 LYS 15 HG3 LYS 15 -4.501 -18.609 10.202 131 HD2 LYS 15 HD2 LYS 15 -4.196 -16.791 7.862 132 HD3 LYS 15 HD3 LYS 15 -2.944 -17.997 8.165 133 HE2 LYS 15 HE2 LYS 15 -4.355 -19.194 6.813 134 HE3 LYS 15 HE3 LYS 15 -5.008 -19.607 8.398 135 HZ1 LYS 15 HZ1 LYS 15 -6.590 -18.847 6.518 136 HZ2 LYS 15 HZ2 LYS 15 -6.082 -17.289 6.938 137 HZ3 LYS 15 HZ3 LYS 15 -6.837 -18.271 8.090 138 H LYS 16 H LYS 16 -4.957 -13.152 11.756 139 HA LYS 16 HA LYS 16 -7.867 -12.862 11.666 140 HB2 LYS 16 HB2 LYS 16 -5.824 -11.422 13.369 141 HB3 LYS 16 HB3 LYS 16 -7.571 -11.279 13.517 142 HG2 LYS 16 HG2 LYS 16 -6.339 -13.978 13.736 143 HG3 LYS 16 HG3 LYS 16 -6.192 -12.858 15.094 144 HD2 LYS 16 HD2 LYS 16 -8.148 -13.990 15.599 145 HD3 LYS 16 HD3 LYS 16 -8.753 -12.549 14.779 146 HE2 LYS 16 HE2 LYS 16 -9.360 -13.711 12.896 147 HE3 LYS 16 HE3 LYS 16 -8.152 -14.969 13.153 148 HZ1 LYS 16 HZ1 LYS 16 -10.875 -14.893 13.977 149 HZ2 LYS 16 HZ2 LYS 16 -9.852 -15.159 15.298 150 HZ3 LYS 16 HZ3 LYS 16 -9.795 -16.196 13.962 151 H ALA 17 H ALA 17 -4.901 -11.100 10.917 152 HA ALA 17 HA ALA 17 -6.293 -8.750 10.017 153 HB1 ALA 17 HB1 ALA 17 -4.140 -8.377 10.908 154 HB2 ALA 17 HB2 ALA 17 -3.416 -9.615 9.880 155 HB3 ALA 17 HB3 ALA 17 -3.996 -8.108 9.171 156 H VAL 18 H VAL 18 -5.072 -11.683 8.580 157 HA VAL 18 HA VAL 18 -5.041 -10.840 5.883 158 HB VAL 18 HB VAL 18 -3.906 -12.883 6.627 159 HG11 VAL 18 HG11 VAL 18 -5.814 -13.512 8.204 160 HG12 VAL 18 HG12 VAL 18 -6.586 -14.228 6.788 161 HG13 VAL 18 HG13 VAL 18 -5.017 -14.822 7.333 162 HG21 VAL 18 HG21 VAL 18 -6.023 -13.211 4.513 163 HG22 VAL 18 HG22 VAL 18 -4.335 -12.750 4.296 164 HG23 VAL 18 HG23 VAL 18 -4.744 -14.392 4.791 165 H SER 19 H SER 19 -7.567 -12.093 7.971 166 HA SER 19 HA SER 19 -9.469 -12.571 5.908 167 HB2 SER 19 HB2 SER 19 -9.798 -13.727 7.965 168 HB3 SER 19 HB3 SER 19 -9.725 -12.233 8.898 169 HG SER 19 HG SER 19 -11.823 -12.336 8.717 170 H ALA 20 H ALA 20 -9.131 -9.952 8.300 171 HA ALA 20 HA ALA 20 -11.256 -8.374 7.449 172 HB1 ALA 20 HB1 ALA 20 -9.891 -6.465 8.437 173 HB2 ALA 20 HB2 ALA 20 -10.270 -7.817 9.505 174 HB3 ALA 20 HB3 ALA 20 -8.662 -7.680 8.794 175 H ALA 21 H ALA 21 -7.965 -8.602 6.226 176 HA ALA 21 HA ALA 21 -7.964 -6.335 4.577 177 HB1 ALA 21 HB1 ALA 21 -6.523 -8.894 3.935 178 HB2 ALA 21 HB2 ALA 21 -6.050 -7.241 3.541 179 HB3 ALA 21 HB3 ALA 21 -5.995 -7.799 5.213 180 H TRP 22 H TRP 22 -9.145 -9.610 4.039 181 HA TRP 22 HA TRP 22 -9.679 -9.237 1.257 182 HB2 TRP 22 HB2 TRP 22 -10.366 -11.332 3.287 183 HB3 TRP 22 HB3 TRP 22 -11.180 -11.334 1.725 184 HD1 TRP 22 HD1 TRP 22 -8.235 -12.735 3.361 185 HE1 TRP 22 HE1 TRP 22 -6.539 -13.614 1.635 186 HE3 TRP 22 HE3 TRP 22 -10.131 -10.522 -0.840 187 HZ2 TRP 22 HZ2 TRP 22 -6.067 -13.397 -1.140 188 HZ3 TRP 22 HZ3 TRP 22 -8.998 -10.908 -2.990 189 HH2 TRP 22 HH2 TRP 22 -7.008 -12.315 -3.134 190 H LYS 23 H LYS 23 -11.721 -9.299 4.169 191 HA LYS 23 HA LYS 23 -14.174 -8.835 2.923 192 HB2 LYS 23 HB2 LYS 23 -14.021 -9.522 5.250 193 HB3 LYS 23 HB3 LYS 23 -13.230 -8.009 5.674 194 HG2 LYS 23 HG2 LYS 23 -15.284 -6.800 5.003 195 HG3 LYS 23 HG3 LYS 23 -16.066 -8.358 4.724 196 HD2 LYS 23 HD2 LYS 23 -14.816 -7.623 7.361 197 HD3 LYS 23 HD3 LYS 23 -16.496 -7.248 6.971 198 HE2 LYS 23 HE2 LYS 23 -17.045 -9.547 6.744 199 HE3 LYS 23 HE3 LYS 23 -15.348 -10.024 6.779 200 HZ1 LYS 23 HZ1 LYS 23 -15.962 -10.477 8.912 201 HZ2 LYS 23 HZ2 LYS 23 -17.101 -9.229 8.989 202 HZ3 LYS 23 HZ3 LYS 23 -15.451 -8.877 9.111 203 H TYR 24 H TYR 24 -11.794 -6.533 4.195 204 HA TYR 24 HA TYR 24 -13.324 -4.339 2.983 205 HB2 TYR 24 HB2 TYR 24 -10.993 -4.098 4.887 206 HB3 TYR 24 HB3 TYR 24 -12.140 -2.844 4.432 207 HD1 TYR 24 HD1 TYR 24 -14.704 -4.297 4.694 208 HD2 TYR 24 HD2 TYR 24 -11.263 -4.306 7.196 209 HE1 TYR 24 HE1 TYR 24 -16.115 -4.884 6.622 210 HE2 TYR 24 HE2 TYR 24 -12.663 -4.894 9.130 211 HH TYR 24 HH TYR 24 -15.875 -5.946 8.823 212 H LYS 25 H LYS 25 -11.831 -6.108 1.332 213 HA LYS 25 HA LYS 25 -9.273 -5.333 0.651 214 HB2 LYS 25 HB2 LYS 25 -10.734 -7.230 -0.303 215 HB3 LYS 25 HB3 LYS 25 -11.327 -6.023 -1.437 216 HG2 LYS 25 HG2 LYS 25 -9.249 -5.788 -2.462 217 HG3 LYS 25 HG3 LYS 25 -8.394 -6.531 -1.108 218 HD2 LYS 25 HD2 LYS 25 -8.386 -8.251 -2.638 219 HD3 LYS 25 HD3 LYS 25 -9.852 -8.617 -1.725 220 HE2 LYS 25 HE2 LYS 25 -11.233 -8.028 -3.443 221 HE3 LYS 25 HE3 LYS 25 -10.104 -6.838 -4.087 222 HZ1 LYS 25 HZ1 LYS 25 -10.312 -9.685 -4.636 223 HZ2 LYS 25 HZ2 LYS 25 -8.741 -9.069 -4.520 224 HZ3 LYS 25 HZ3 LYS 25 -9.823 -8.419 -5.647 225 H GLY 26 H GLY 26 -12.331 -4.042 -0.649 226 HA2 GLY 26 HA2 GLY 26 -11.289 -2.171 -2.409 227 HA3 GLY 26 HA3 GLY 26 -12.826 -1.999 -1.573 228 H LYS 27 H LYS 27 -11.416 -2.066 1.064 229 HA LYS 27 HA LYS 27 -10.779 0.774 1.136 230 HB2 LYS 27 HB2 LYS 27 -11.392 -1.299 3.221 231 HB3 LYS 27 HB3 LYS 27 -10.660 0.234 3.676 232 HG2 LYS 27 HG2 LYS 27 -12.561 1.408 2.610 233 HG3 LYS 27 HG3 LYS 27 -13.309 -0.161 2.301 234 HD2 LYS 27 HD2 LYS 27 -12.872 -0.451 4.905 235 HD3 LYS 27 HD3 LYS 27 -12.953 1.311 4.857 236 HE2 LYS 27 HE2 LYS 27 -15.056 -0.482 3.661 237 HE3 LYS 27 HE3 LYS 27 -15.130 0.130 5.313 238 HZ1 LYS 27 HZ1 LYS 27 -16.085 1.387 3.093 239 HZ2 LYS 27 HZ2 LYS 27 -14.634 2.200 3.401 240 HZ3 LYS 27 HZ3 LYS 27 -15.822 2.105 4.602 241 H VAL 28 H VAL 28 -9.247 -2.341 1.660 242 HA VAL 28 HA VAL 28 -6.837 -1.336 2.783 243 HB VAL 28 HB VAL 28 -7.174 -3.927 1.272 244 HG11 VAL 28 HG11 VAL 28 -5.356 -4.693 2.743 245 HG12 VAL 28 HG12 VAL 28 -4.866 -3.337 1.725 246 HG13 VAL 28 HG13 VAL 28 -5.245 -3.071 3.427 247 HG21 VAL 28 HG21 VAL 28 -8.360 -3.060 3.760 248 HG22 VAL 28 HG22 VAL 28 -8.636 -4.538 2.838 249 HG23 VAL 28 HG23 VAL 28 -7.311 -4.458 3.999 250 H LEU 29 H LEU 29 -7.570 -2.580 -0.480 251 HA LEU 29 HA LEU 29 -5.136 -2.046 -1.676 252 HB2 LEU 29 HB2 LEU 29 -7.935 -2.244 -2.669 253 HB3 LEU 29 HB3 LEU 29 -6.692 -1.649 -3.768 254 HG LEU 29 HG LEU 29 -7.105 -4.035 -4.079 255 HD11 LEU 29 HD11 LEU 29 -4.411 -3.562 -2.816 256 HD12 LEU 29 HD12 LEU 29 -4.851 -3.064 -4.449 257 HD13 LEU 29 HD13 LEU 29 -4.825 -4.776 -4.027 258 HD21 LEU 29 HD21 LEU 29 -6.698 -5.652 -2.391 259 HD22 LEU 29 HD22 LEU 29 -7.765 -4.438 -1.685 260 HD23 LEU 29 HD23 LEU 29 -6.046 -4.438 -1.290 261 H GLU 30 H GLU 30 -7.706 0.140 -0.828 262 HA GLU 30 HA GLU 30 -6.757 2.317 -2.443 263 HB2 GLU 30 HB2 GLU 30 -8.861 1.982 -0.342 264 HB3 GLU 30 HB3 GLU 30 -8.340 3.603 -0.781 265 HG2 GLU 30 HG2 GLU 30 -9.092 1.723 -2.954 266 HG3 GLU 30 HG3 GLU 30 -10.371 2.437 -1.973 267 H TRP 31 H TRP 31 -6.310 1.215 0.851 268 HA TRP 31 HA TRP 31 -5.013 3.602 1.756 269 HB2 TRP 31 HB2 TRP 31 -5.224 0.816 2.896 270 HB3 TRP 31 HB3 TRP 31 -4.324 2.102 3.693 271 HD1 TRP 31 HD1 TRP 31 -6.446 4.462 3.123 272 HE1 TRP 31 HE1 TRP 31 -8.641 4.494 4.466 273 HE3 TRP 31 HE3 TRP 31 -6.593 -0.443 4.555 274 HZ2 TRP 31 HZ2 TRP 31 -10.225 2.680 5.939 275 HZ3 TRP 31 HZ3 TRP 31 -8.481 -1.214 5.931 276 HH2 TRP 31 HH2 TRP 31 -10.258 0.317 6.608 277 H LEU 32 H LEU 32 -4.021 0.717 0.122 278 HA LEU 32 HA LEU 32 -1.233 0.951 0.764 279 HB2 LEU 32 HB2 LEU 32 -2.538 -0.594 -1.470 280 HB3 LEU 32 HB3 LEU 32 -0.904 -0.818 -0.849 281 HG LEU 32 HG LEU 32 -3.223 -1.199 0.991 282 HD11 LEU 32 HD11 LEU 32 -3.002 -2.595 -1.435 283 HD12 LEU 32 HD12 LEU 32 -4.036 -2.974 -0.058 284 HD13 LEU 32 HD13 LEU 32 -2.428 -3.689 -0.177 285 HD21 LEU 32 HD21 LEU 32 -0.366 -1.815 0.889 286 HD22 LEU 32 HD22 LEU 32 -1.372 -3.157 1.434 287 HD23 LEU 32 HD23 LEU 32 -1.436 -1.608 2.276 288 H ASN 33 H ASN 33 -3.357 2.304 -1.587 289 HA ASN 33 HA ASN 33 -1.164 3.123 -3.327 290 HB2 ASN 33 HB2 ASN 33 -3.228 2.320 -4.379 291 HB3 ASN 33 HB3 ASN 33 -4.145 3.585 -3.567 292 HD21 ASN 33 HD21 ASN 33 -4.060 5.664 -4.323 293 HD22 ASN 33 HD22 ASN 33 -3.324 6.091 -5.827 294 H VAL 34 H VAL 34 -3.627 4.543 -1.220 295 HA VAL 34 HA VAL 34 -2.699 7.233 -1.670 296 HB VAL 34 HB VAL 34 -4.341 7.915 -0.038 297 HG11 VAL 34 HG11 VAL 34 -6.012 7.632 -1.487 298 HG12 VAL 34 HG12 VAL 34 -4.910 6.606 -2.407 299 HG13 VAL 34 HG13 VAL 34 -6.026 5.885 -1.247 300 HG21 VAL 34 HG21 VAL 34 -4.068 5.143 0.848 301 HG22 VAL 34 HG22 VAL 34 -4.557 6.578 1.748 302 HG23 VAL 34 HG23 VAL 34 -5.737 5.705 0.771 303 H GLY 35 H GLY 35 -2.047 4.666 0.569 304 HA2 GLY 35 HA2 GLY 35 -0.804 6.400 2.531 305 HA3 GLY 35 HA3 GLY 35 -0.872 4.644 2.580 306 HA PRO 36 HA PRO 36 3.351 6.331 1.148 307 HB2 PRO 36 HB2 PRO 36 4.738 5.964 3.453 308 HB3 PRO 36 HB3 PRO 36 3.912 7.477 3.059 309 HG2 PRO 36 HG2 PRO 36 3.015 5.232 4.825 310 HG3 PRO 36 HG3 PRO 36 2.903 6.981 5.095 311 HD2 PRO 36 HD2 PRO 36 0.800 5.500 4.246 312 HD3 PRO 36 HD3 PRO 36 1.032 7.193 3.765 313 H THR 37 H THR 37 2.820 3.768 3.574 314 HA THR 37 HA THR 37 3.978 1.822 1.733 315 HB THR 37 HB THR 37 5.560 0.935 3.269 316 HG1 THR 37 HG1 THR 37 4.790 2.866 5.207 317 HG21 THR 37 HG21 THR 37 6.103 3.134 2.060 318 HG22 THR 37 HG22 THR 37 7.144 2.661 3.402 319 HG23 THR 37 HG23 THR 37 5.908 3.897 3.638 320 H LEU 38 H LEU 38 4.058 -0.388 3.267 321 HA LEU 38 HA LEU 38 1.315 -1.061 3.548 322 HB2 LEU 38 HB2 LEU 38 3.751 -2.571 4.482 323 HB3 LEU 38 HB3 LEU 38 2.126 -3.230 4.310 324 HG LEU 38 HG LEU 38 3.910 -2.273 2.073 325 HD11 LEU 38 HD11 LEU 38 4.800 -4.310 2.425 326 HD12 LEU 38 HD12 LEU 38 3.365 -4.861 1.560 327 HD13 LEU 38 HD13 LEU 38 3.396 -4.888 3.323 328 HD21 LEU 38 HD21 LEU 38 1.728 -3.792 1.134 329 HD22 LEU 38 HD22 LEU 38 2.080 -2.090 0.834 330 HD23 LEU 38 HD23 LEU 38 1.072 -2.555 2.205 331 H GLU 39 H GLU 39 3.879 -0.268 5.828 332 HA GLU 39 HA GLU 39 2.721 -1.032 8.214 333 HB2 GLU 39 HB2 GLU 39 5.018 -0.083 7.918 334 HB3 GLU 39 HB3 GLU 39 4.292 1.512 7.780 335 HG2 GLU 39 HG2 GLU 39 3.740 1.609 9.999 336 HG3 GLU 39 HG3 GLU 39 3.673 -0.143 10.172 337 H TRP 40 H TRP 40 2.450 2.168 6.663 338 HA TRP 40 HA TRP 40 0.703 3.351 8.443 339 HB2 TRP 40 HB2 TRP 40 1.823 4.498 6.534 340 HB3 TRP 40 HB3 TRP 40 0.680 3.723 5.440 341 HD1 TRP 40 HD1 TRP 40 0.786 6.348 8.259 342 HE1 TRP 40 HE1 TRP 40 -1.263 7.885 8.007 343 HE3 TRP 40 HE3 TRP 40 -1.611 3.890 4.471 344 HZ2 TRP 40 HZ2 TRP 40 -3.588 8.036 6.413 345 HZ3 TRP 40 HZ3 TRP 40 -3.743 4.796 3.640 346 HH2 TRP 40 HH2 TRP 40 -4.709 6.826 4.593 347 H VAL 41 H VAL 41 -0.099 1.422 5.564 348 HA VAL 41 HA VAL 41 -2.874 1.611 5.718 349 HB VAL 41 HB VAL 41 -1.263 -0.755 4.752 350 HG11 VAL 41 HG11 VAL 41 -3.669 -0.370 3.301 351 HG12 VAL 41 HG12 VAL 41 -3.202 -1.739 4.312 352 HG13 VAL 41 HG13 VAL 41 -4.065 -0.373 5.019 353 HG21 VAL 41 HG21 VAL 41 -1.760 1.912 3.640 354 HG22 VAL 41 HG22 VAL 41 -0.495 0.743 3.263 355 HG23 VAL 41 HG23 VAL 41 -2.092 0.582 2.530 356 H TRP 42 H TRP 42 -0.708 -0.835 7.123 357 HA TRP 42 HA TRP 42 -2.619 -2.477 8.281 358 HB2 TRP 42 HB2 TRP 42 -0.357 -3.217 8.252 359 HB3 TRP 42 HB3 TRP 42 0.193 -1.797 9.137 360 HD1 TRP 42 HD1 TRP 42 0.931 -2.528 11.467 361 HE1 TRP 42 HE1 TRP 42 0.038 -4.127 13.275 362 HE3 TRP 42 HE3 TRP 42 -3.104 -4.417 8.959 363 HZ2 TRP 42 HZ2 TRP 42 -2.094 -5.949 13.596 364 HZ3 TRP 42 HZ3 TRP 42 -4.519 -6.084 10.088 365 HH2 TRP 42 HH2 TRP 42 -4.022 -6.834 12.357 366 H GLN 43 H GLN 43 -1.447 0.641 9.294 367 HA GLN 43 HA GLN 43 -2.484 0.495 11.958 368 HB2 GLN 43 HB2 GLN 43 -1.679 2.902 10.316 369 HB3 GLN 43 HB3 GLN 43 -1.994 2.904 12.046 370 HG2 GLN 43 HG2 GLN 43 0.101 1.124 10.869 371 HG3 GLN 43 HG3 GLN 43 0.438 2.817 11.224 372 HE21 GLN 43 HE21 GLN 43 1.645 0.495 12.409 373 HE22 GLN 43 HE22 GLN 43 1.306 0.561 14.102 374 H LYS 44 H LYS 44 -3.726 1.431 8.851 375 HA LYS 44 HA LYS 44 -6.059 2.741 9.968 376 HB2 LYS 44 HB2 LYS 44 -4.986 2.274 7.220 377 HB3 LYS 44 HB3 LYS 44 -6.701 2.617 7.405 378 HG2 LYS 44 HG2 LYS 44 -4.703 4.399 8.716 379 HG3 LYS 44 HG3 LYS 44 -5.003 4.547 6.983 380 HD2 LYS 44 HD2 LYS 44 -7.520 4.552 7.760 381 HD3 LYS 44 HD3 LYS 44 -6.816 5.095 9.285 382 HE2 LYS 44 HE2 LYS 44 -6.101 7.083 8.403 383 HE3 LYS 44 HE3 LYS 44 -5.938 6.427 6.775 384 HZ1 LYS 44 HZ1 LYS 44 -8.584 6.790 8.042 385 HZ2 LYS 44 HZ2 LYS 44 -8.221 6.605 6.401 386 HZ3 LYS 44 HZ3 LYS 44 -7.828 8.045 7.196 387 H LEU 45 H LEU 45 -5.284 -0.258 8.255 388 HA LEU 45 HA LEU 45 -7.943 -1.215 8.098 389 HB2 LEU 45 HB2 LEU 45 -6.429 -2.201 6.623 390 HB3 LEU 45 HB3 LEU 45 -5.243 -2.494 7.893 391 HG LEU 45 HG LEU 45 -6.765 -4.239 8.819 392 HD11 LEU 45 HD11 LEU 45 -8.702 -3.093 7.340 393 HD12 LEU 45 HD12 LEU 45 -8.766 -4.754 7.928 394 HD13 LEU 45 HD13 LEU 45 -8.240 -4.423 6.278 395 HD21 LEU 45 HD21 LEU 45 -4.984 -4.375 6.717 396 HD22 LEU 45 HD22 LEU 45 -6.403 -5.231 6.111 397 HD23 LEU 45 HD23 LEU 45 -5.639 -5.743 7.618 398 H LYS 46 H LYS 46 -5.294 -1.913 10.365 399 HA LYS 46 HA LYS 46 -6.539 -3.781 11.970 400 HB2 LYS 46 HB2 LYS 46 -4.174 -3.143 12.187 401 HB3 LYS 46 HB3 LYS 46 -4.653 -1.584 12.844 402 HG2 LYS 46 HG2 LYS 46 -5.846 -2.942 14.664 403 HG3 LYS 46 HG3 LYS 46 -4.868 -4.296 14.095 404 HD2 LYS 46 HD2 LYS 46 -3.293 -1.886 14.476 405 HD3 LYS 46 HD3 LYS 46 -4.116 -2.386 15.956 406 HE2 LYS 46 HE2 LYS 46 -3.205 -4.763 15.194 407 HE3 LYS 46 HE3 LYS 46 -1.998 -3.760 14.391 408 HZ1 LYS 46 HZ1 LYS 46 -1.640 -4.560 16.827 409 HZ2 LYS 46 HZ2 LYS 46 -2.628 -3.242 17.211 410 HZ3 LYS 46 HZ3 LYS 46 -1.181 -2.996 16.371 411 H LYS 47 H LYS 47 -7.033 -0.336 11.817 412 HA LYS 47 HA LYS 47 -8.408 -0.053 14.286 413 HB2 LYS 47 HB2 LYS 47 -7.358 1.762 12.755 414 HB3 LYS 47 HB3 LYS 47 -8.895 1.708 11.902 415 HG2 LYS 47 HG2 LYS 47 -9.220 3.431 13.391 416 HG3 LYS 47 HG3 LYS 47 -9.928 2.061 14.251 417 HD2 LYS 47 HD2 LYS 47 -7.572 1.801 15.288 418 HD3 LYS 47 HD3 LYS 47 -7.321 3.459 14.738 419 HE2 LYS 47 HE2 LYS 47 -9.621 2.578 16.476 420 HE3 LYS 47 HE3 LYS 47 -8.118 3.259 17.096 421 HZ1 LYS 47 HZ1 LYS 47 -10.147 4.787 16.675 422 HZ2 LYS 47 HZ2 LYS 47 -9.645 4.733 15.061 423 HZ3 LYS 47 HZ3 LYS 47 -8.599 5.324 16.252 424 H ILE 48 H ILE 48 -9.598 -0.218 10.928 425 HA ILE 48 HA ILE 48 -12.333 -0.338 11.651 426 HB ILE 48 HB ILE 48 -11.626 0.367 9.419 427 HG12 ILE 48 HG12 ILE 48 -13.242 -2.179 9.217 428 HG13 ILE 48 HG13 ILE 48 -13.889 -0.666 9.843 429 HG21 ILE 48 HG21 ILE 48 -10.918 -1.392 7.781 430 HG22 ILE 48 HG22 ILE 48 -9.730 -1.020 9.030 431 HG23 ILE 48 HG23 ILE 48 -10.704 -2.486 9.148 432 HD11 ILE 48 HD11 ILE 48 -14.046 -1.460 7.266 433 HD12 ILE 48 HD12 ILE 48 -14.117 0.219 7.801 434 HD13 ILE 48 HD13 ILE 48 -12.596 -0.459 7.222 435 H ALA 49 H ALA 49 -9.836 -2.734 11.361 436 HA ALA 49 HA ALA 49 -11.618 -4.986 11.241 437 HB1 ALA 49 HB1 ALA 49 -9.354 -5.058 10.277 438 HB2 ALA 49 HB2 ALA 49 -8.676 -4.920 11.900 439 HB3 ALA 49 HB3 ALA 49 -9.623 -6.340 11.458 440 H GLY 50 H GLY 50 -9.999 -3.159 13.745 441 HA2 GLY 50 HA2 GLY 50 -10.226 -3.194 16.030 442 HA3 GLY 50 HA3 GLY 50 -11.695 -4.126 15.781 443 H LEU 51 H LEU 51 -8.336 -4.931 14.966 444 HA LEU 51 HA LEU 51 -8.657 -7.501 16.274 445 HB2 LEU 51 HB2 LEU 51 -6.124 -6.545 15.002 446 HB3 LEU 51 HB3 LEU 51 -6.744 -8.188 15.145 447 HG LEU 51 HG LEU 51 -7.784 -6.046 13.292 448 HD11 LEU 51 HD11 LEU 51 -5.717 -8.064 13.053 449 HD12 LEU 51 HD12 LEU 51 -6.109 -6.714 11.989 450 HD13 LEU 51 HD13 LEU 51 -6.973 -8.243 11.827 451 HD21 LEU 51 HD21 LEU 51 -8.771 -8.764 14.021 452 HD22 LEU 51 HD22 LEU 51 -8.967 -8.190 12.365 453 HD23 LEU 51 HD23 LEU 51 -9.676 -7.283 13.702 Start of MODEL 11 1 H1 MET 1 H MET 1 6.198 -2.336 -2.832 2 HA MET 1 HA MET 1 4.669 -2.926 -0.490 3 HB2 MET 1 HB2 MET 1 4.432 -0.159 -1.685 4 HB3 MET 1 HB3 MET 1 3.339 -0.840 -0.488 5 HG2 MET 1 HG2 MET 1 4.693 0.341 0.888 6 HG3 MET 1 HG3 MET 1 5.589 -1.176 0.851 7 HE1 MET 1 HE1 MET 1 8.809 0.271 0.723 8 HE2 MET 1 HE2 MET 1 7.637 -0.933 1.259 9 HE3 MET 1 HE3 MET 1 8.425 -1.107 -0.310 10 H SER 2 H SER 2 2.746 -3.821 -1.024 11 HA SER 2 HA SER 2 1.229 -3.215 -3.312 12 HB2 SER 2 HB2 SER 2 3.354 -4.469 -4.221 13 HB3 SER 2 HB3 SER 2 2.506 -5.905 -3.647 14 HG SER 2 HG SER 2 2.012 -5.411 -5.833 15 H TRP 3 H TRP 3 -0.326 -5.195 -3.796 16 HA TRP 3 HA TRP 3 -1.788 -5.651 -1.450 17 HB2 TRP 3 HB2 TRP 3 -2.912 -5.690 -3.571 18 HB3 TRP 3 HB3 TRP 3 -1.893 -7.005 -4.149 19 HD1 TRP 3 HD1 TRP 3 -3.093 -9.253 -4.130 20 HE1 TRP 3 HE1 TRP 3 -4.968 -10.344 -2.746 21 HE3 TRP 3 HE3 TRP 3 -3.989 -5.448 -0.836 22 HZ2 TRP 3 HZ2 TRP 3 -6.611 -9.679 -0.549 23 HZ3 TRP 3 HZ3 TRP 3 -5.729 -5.755 0.876 24 HH2 TRP 3 HH2 TRP 3 -7.012 -7.827 1.015 25 H LEU 4 H LEU 4 -0.147 -8.114 -3.447 26 HA LEU 4 HA LEU 4 -0.347 -10.227 -1.683 27 HB2 LEU 4 HB2 LEU 4 1.884 -9.597 -3.609 28 HB3 LEU 4 HB3 LEU 4 1.647 -11.157 -2.824 29 HG LEU 4 HG LEU 4 -0.325 -9.880 -4.715 30 HD11 LEU 4 HD11 LEU 4 0.542 -11.103 -6.455 31 HD12 LEU 4 HD12 LEU 4 1.326 -12.269 -5.390 32 HD13 LEU 4 HD13 LEU 4 2.011 -10.656 -5.587 33 HD21 LEU 4 HD21 LEU 4 -1.436 -11.374 -3.228 34 HD22 LEU 4 HD22 LEU 4 -0.170 -12.589 -3.407 35 HD23 LEU 4 HD23 LEU 4 -1.232 -12.214 -4.766 36 H ASN 5 H ASN 5 2.223 -7.790 -1.902 37 HA ASN 5 HA ASN 5 3.888 -8.847 0.092 38 HB2 ASN 5 HB2 ASN 5 4.373 -6.974 -1.609 39 HB3 ASN 5 HB3 ASN 5 3.610 -5.896 -0.443 40 HD21 ASN 5 HD21 ASN 5 6.446 -6.402 -1.492 41 HD22 ASN 5 HD22 ASN 5 7.402 -6.429 -0.053 42 H PHE 6 H PHE 6 1.249 -6.489 0.271 43 HA PHE 6 HA PHE 6 1.501 -5.810 2.967 44 HB2 PHE 6 HB2 PHE 6 0.068 -4.511 1.544 45 HB3 PHE 6 HB3 PHE 6 -0.931 -5.913 1.178 46 HD1 PHE 6 HD2 PHE 6 -0.138 -3.343 3.648 47 HD2 PHE 6 HD1 PHE 6 -2.558 -6.732 2.767 48 HE1 PHE 6 HE2 PHE 6 -1.625 -2.764 5.520 49 HE2 PHE 6 HE1 PHE 6 -4.050 -6.157 4.637 50 HZ PHE 6 HZ PHE 6 -3.583 -4.172 6.018 51 H LEU 7 H LEU 7 -0.518 -8.318 1.452 52 HA LEU 7 HA LEU 7 -1.631 -9.316 3.828 53 HB2 LEU 7 HB2 LEU 7 -1.129 -10.633 1.168 54 HB3 LEU 7 HB3 LEU 7 -2.038 -11.389 2.474 55 HG LEU 7 HG LEU 7 -2.795 -8.895 0.955 56 HD11 LEU 7 HD11 LEU 7 -3.461 -11.742 0.724 57 HD12 LEU 7 HD12 LEU 7 -3.559 -10.449 -0.470 58 HD13 LEU 7 HD13 LEU 7 -4.847 -10.651 0.718 59 HD21 LEU 7 HD21 LEU 7 -4.057 -10.235 3.336 60 HD22 LEU 7 HD22 LEU 7 -4.925 -9.118 2.283 61 HD23 LEU 7 HD23 LEU 7 -3.516 -8.563 3.189 62 H LYS 8 H LYS 8 1.167 -10.445 1.943 63 HA LYS 8 HA LYS 8 1.879 -12.588 3.583 64 HB2 LYS 8 HB2 LYS 8 2.808 -11.654 1.248 65 HB3 LYS 8 HB3 LYS 8 4.061 -11.024 2.310 66 HG2 LYS 8 HG2 LYS 8 4.034 -13.510 3.214 67 HG3 LYS 8 HG3 LYS 8 3.405 -13.826 1.595 68 HD2 LYS 8 HD2 LYS 8 5.339 -13.006 0.560 69 HD3 LYS 8 HD3 LYS 8 5.871 -12.167 2.019 70 HE2 LYS 8 HE2 LYS 8 6.564 -14.146 3.044 71 HE3 LYS 8 HE3 LYS 8 5.601 -15.152 1.964 72 HZ1 LYS 8 HZ1 LYS 8 7.897 -13.539 1.018 73 HZ2 LYS 8 HZ2 LYS 8 7.099 -14.788 0.204 74 HZ3 LYS 8 HZ3 LYS 8 8.063 -15.136 1.550 75 H TYR 9 H TYR 9 2.340 -9.175 3.984 76 HA TYR 9 HA TYR 9 4.397 -9.378 5.969 77 HB2 TYR 9 HB2 TYR 9 4.287 -7.349 4.703 78 HB3 TYR 9 HB3 TYR 9 2.593 -7.111 5.117 79 HD1 TYR 9 HD1 TYR 9 5.689 -7.797 7.106 80 HD2 TYR 9 HD2 TYR 9 2.311 -5.285 6.489 81 HE1 TYR 9 HE1 TYR 9 6.361 -6.430 9.037 82 HE2 TYR 9 HE2 TYR 9 2.974 -3.910 8.418 83 HH TYR 9 HH TYR 9 5.977 -4.546 10.182 84 H ILE 10 H ILE 10 0.950 -8.475 6.110 85 HA ILE 10 HA ILE 10 0.834 -8.465 8.943 86 HB ILE 10 HB ILE 10 -1.618 -8.442 8.655 87 HG12 ILE 10 HG12 ILE 10 -1.272 -8.340 5.688 88 HG13 ILE 10 HG13 ILE 10 -1.325 -9.913 6.476 89 HG21 ILE 10 HG21 ILE 10 0.237 -6.564 7.372 90 HG22 ILE 10 HG22 ILE 10 -1.445 -6.412 6.867 91 HG23 ILE 10 HG23 ILE 10 -1.021 -6.277 8.573 92 HD11 ILE 10 HD11 ILE 10 -3.501 -8.899 5.560 93 HD12 ILE 10 HD12 ILE 10 -3.516 -9.631 7.165 94 HD13 ILE 10 HD13 ILE 10 -3.448 -7.877 6.996 95 H ALA 11 H ALA 11 0.836 -10.982 6.647 96 HA ALA 11 HA ALA 11 -0.773 -12.936 7.740 97 HB1 ALA 11 HB1 ALA 11 1.522 -14.288 6.902 98 HB2 ALA 11 HB2 ALA 11 0.072 -13.953 5.956 99 HB3 ALA 11 HB3 ALA 11 1.438 -12.839 5.899 100 H LYS 12 H LYS 12 2.312 -11.750 8.862 101 HA LYS 12 HA LYS 12 3.085 -13.830 10.545 102 HB2 LYS 12 HB2 LYS 12 4.313 -12.075 11.821 103 HB3 LYS 12 HB3 LYS 12 4.592 -12.012 10.086 104 HG2 LYS 12 HG2 LYS 12 4.159 -9.837 10.267 105 HG3 LYS 12 HG3 LYS 12 2.465 -10.315 10.404 106 HD2 LYS 12 HD2 LYS 12 2.508 -9.215 12.356 107 HD3 LYS 12 HD3 LYS 12 3.365 -10.631 12.969 108 HE2 LYS 12 HE2 LYS 12 4.830 -9.000 13.601 109 HE3 LYS 12 HE3 LYS 12 5.455 -9.342 11.988 110 HZ1 LYS 12 HZ1 LYS 12 3.820 -7.487 11.287 111 HZ2 LYS 12 HZ2 LYS 12 5.300 -7.062 11.986 112 HZ3 LYS 12 HZ3 LYS 12 3.887 -7.031 12.915 113 H TYR 13 H TYR 13 0.854 -11.152 11.108 114 HA TYR 13 HA TYR 13 0.455 -11.536 13.855 115 HB2 TYR 13 HB2 TYR 13 -1.459 -10.461 11.774 116 HB3 TYR 13 HB3 TYR 13 -1.672 -10.307 13.514 117 HD1 TYR 13 HD2 TYR 13 0.361 -9.190 14.778 118 HD2 TYR 13 HD1 TYR 13 -0.447 -8.728 10.627 119 HE1 TYR 13 HE2 TYR 13 1.675 -7.111 14.760 120 HE2 TYR 13 HE1 TYR 13 0.866 -6.648 10.597 121 HH TYR 13 HH TYR 13 2.741 -5.636 11.964 122 H GLY 14 H GLY 14 -0.715 -13.282 11.102 123 HA2 GLY 14 HA2 GLY 14 -1.388 -15.617 11.729 124 HA3 GLY 14 HA3 GLY 14 -2.481 -14.854 12.875 125 H LYS 15 H LYS 15 -4.088 -16.178 11.717 126 HA LYS 15 HA LYS 15 -4.826 -15.166 9.075 127 HB2 LYS 15 HB2 LYS 15 -6.065 -17.426 10.654 128 HB3 LYS 15 HB3 LYS 15 -6.352 -17.048 8.961 129 HG2 LYS 15 HG2 LYS 15 -3.683 -17.870 10.084 130 HG3 LYS 15 HG3 LYS 15 -4.835 -18.974 9.328 131 HD2 LYS 15 HD2 LYS 15 -4.708 -17.684 7.252 132 HD3 LYS 15 HD3 LYS 15 -3.562 -16.575 8.009 133 HE2 LYS 15 HE2 LYS 15 -3.143 -19.526 7.536 134 HE3 LYS 15 HE3 LYS 15 -2.409 -18.212 6.617 135 HZ1 LYS 15 HZ1 LYS 15 -1.351 -17.469 8.705 136 HZ2 LYS 15 HZ2 LYS 15 -0.844 -19.007 8.216 137 HZ3 LYS 15 HZ3 LYS 15 -1.955 -18.846 9.481 138 H LYS 16 H LYS 16 -5.161 -13.657 11.637 139 HA LYS 16 HA LYS 16 -8.087 -13.413 11.715 140 HB2 LYS 16 HB2 LYS 16 -7.762 -12.177 13.803 141 HB3 LYS 16 HB3 LYS 16 -6.993 -13.757 13.878 142 HG2 LYS 16 HG2 LYS 16 -5.275 -12.579 14.715 143 HG3 LYS 16 HG3 LYS 16 -4.923 -12.276 13.011 144 HD2 LYS 16 HD2 LYS 16 -4.886 -10.130 13.791 145 HD3 LYS 16 HD3 LYS 16 -6.603 -10.265 13.400 146 HE2 LYS 16 HE2 LYS 16 -6.366 -9.274 15.581 147 HE3 LYS 16 HE3 LYS 16 -7.043 -10.892 15.754 148 HZ1 LYS 16 HZ1 LYS 16 -4.188 -10.894 15.873 149 HZ2 LYS 16 HZ2 LYS 16 -5.310 -11.538 16.962 150 HZ3 LYS 16 HZ3 LYS 16 -4.865 -9.909 17.070 151 H ALA 17 H ALA 17 -5.152 -11.713 10.919 152 HA ALA 17 HA ALA 17 -6.559 -9.196 10.510 153 HB1 ALA 17 HB1 ALA 17 -4.408 -8.981 11.506 154 HB2 ALA 17 HB2 ALA 17 -3.660 -9.964 10.247 155 HB3 ALA 17 HB3 ALA 17 -4.287 -8.362 9.858 156 H VAL 18 H VAL 18 -5.332 -11.890 8.692 157 HA VAL 18 HA VAL 18 -5.236 -10.657 6.144 158 HB VAL 18 HB VAL 18 -4.114 -12.799 6.642 159 HG11 VAL 18 HG11 VAL 18 -5.265 -14.821 6.952 160 HG12 VAL 18 HG12 VAL 18 -6.097 -13.665 7.993 161 HG13 VAL 18 HG13 VAL 18 -6.803 -14.123 6.443 162 HG21 VAL 18 HG21 VAL 18 -4.326 -12.385 4.356 163 HG22 VAL 18 HG22 VAL 18 -4.976 -14.014 4.545 164 HG23 VAL 18 HG23 VAL 18 -6.071 -12.642 4.375 165 H SER 19 H SER 19 -7.797 -12.162 7.998 166 HA SER 19 HA SER 19 -9.662 -12.403 5.870 167 HB2 SER 19 HB2 SER 19 -9.807 -13.659 8.026 168 HB3 SER 19 HB3 SER 19 -10.249 -12.152 8.829 169 HG SER 19 HG SER 19 -11.774 -13.829 7.319 170 H ALA 20 H ALA 20 -9.332 -10.017 8.494 171 HA ALA 20 HA ALA 20 -11.434 -8.348 7.820 172 HB1 ALA 20 HB1 ALA 20 -9.806 -6.531 8.810 173 HB2 ALA 20 HB2 ALA 20 -10.508 -7.785 9.833 174 HB3 ALA 20 HB3 ALA 20 -8.854 -7.951 9.245 175 H ALA 21 H ALA 21 -8.246 -8.604 6.395 176 HA ALA 21 HA ALA 21 -8.385 -6.190 4.884 177 HB1 ALA 21 HB1 ALA 21 -6.672 -8.615 4.363 178 HB2 ALA 21 HB2 ALA 21 -6.407 -6.978 3.760 179 HB3 ALA 21 HB3 ALA 21 -6.264 -7.316 5.485 180 H TRP 22 H TRP 22 -9.209 -9.557 4.256 181 HA TRP 22 HA TRP 22 -9.684 -9.258 1.477 182 HB2 TRP 22 HB2 TRP 22 -10.295 -11.321 3.539 183 HB3 TRP 22 HB3 TRP 22 -11.202 -11.378 2.030 184 HD1 TRP 22 HD1 TRP 22 -8.085 -12.607 3.519 185 HE1 TRP 22 HE1 TRP 22 -6.491 -13.507 1.709 186 HE3 TRP 22 HE3 TRP 22 -10.390 -10.687 -0.621 187 HZ2 TRP 22 HZ2 TRP 22 -6.244 -13.415 -1.101 188 HZ3 TRP 22 HZ3 TRP 22 -9.411 -11.138 -2.832 189 HH2 TRP 22 HH2 TRP 22 -7.380 -12.474 -3.065 190 H LYS 23 H LYS 23 -11.810 -9.162 4.314 191 HA LYS 23 HA LYS 23 -14.227 -8.836 2.901 192 HB2 LYS 23 HB2 LYS 23 -14.169 -9.516 5.248 193 HB3 LYS 23 HB3 LYS 23 -13.488 -7.958 5.699 194 HG2 LYS 23 HG2 LYS 23 -15.599 -6.928 4.728 195 HG3 LYS 23 HG3 LYS 23 -16.255 -8.567 4.714 196 HD2 LYS 23 HD2 LYS 23 -15.030 -7.467 7.211 197 HD3 LYS 23 HD3 LYS 23 -16.678 -7.019 6.766 198 HE2 LYS 23 HE2 LYS 23 -16.939 -8.884 8.153 199 HE3 LYS 23 HE3 LYS 23 -17.100 -9.529 6.521 200 HZ1 LYS 23 HZ1 LYS 23 -15.372 -10.854 6.855 201 HZ2 LYS 23 HZ2 LYS 23 -15.360 -10.383 8.479 202 HZ3 LYS 23 HZ3 LYS 23 -14.390 -9.571 7.356 203 H TYR 24 H TYR 24 -11.914 -6.506 4.216 204 HA TYR 24 HA TYR 24 -13.458 -4.322 3.005 205 HB2 TYR 24 HB2 TYR 24 -11.150 -4.149 4.951 206 HB3 TYR 24 HB3 TYR 24 -12.169 -2.819 4.414 207 HD1 TYR 24 HD1 TYR 24 -14.853 -4.044 4.591 208 HD2 TYR 24 HD2 TYR 24 -11.539 -4.282 7.248 209 HE1 TYR 24 HE1 TYR 24 -16.392 -4.463 6.463 210 HE2 TYR 24 HE2 TYR 24 -13.068 -4.703 9.127 211 HH TYR 24 HH TYR 24 -15.420 -4.305 9.710 212 H LYS 25 H LYS 25 -11.893 -6.140 1.406 213 HA LYS 25 HA LYS 25 -9.369 -5.278 0.698 214 HB2 LYS 25 HB2 LYS 25 -10.776 -7.270 -0.181 215 HB3 LYS 25 HB3 LYS 25 -11.360 -6.130 -1.386 216 HG2 LYS 25 HG2 LYS 25 -9.327 -5.984 -2.436 217 HG3 LYS 25 HG3 LYS 25 -8.424 -6.427 -0.986 218 HD2 LYS 25 HD2 LYS 25 -8.274 -8.282 -2.447 219 HD3 LYS 25 HD3 LYS 25 -9.449 -8.729 -1.208 220 HE2 LYS 25 HE2 LYS 25 -10.408 -9.412 -3.242 221 HE3 LYS 25 HE3 LYS 25 -11.232 -7.910 -2.824 222 HZ1 LYS 25 HZ1 LYS 25 -10.332 -8.290 -5.217 223 HZ2 LYS 25 HZ2 LYS 25 -8.857 -7.805 -4.548 224 HZ3 LYS 25 HZ3 LYS 25 -10.191 -6.767 -4.495 225 H GLY 26 H GLY 26 -12.500 -4.108 -0.513 226 HA2 GLY 26 HA2 GLY 26 -11.574 -2.304 -2.417 227 HA3 GLY 26 HA3 GLY 26 -13.079 -2.132 -1.526 228 H LYS 27 H LYS 27 -11.473 -2.086 1.035 229 HA LYS 27 HA LYS 27 -10.879 0.777 0.938 230 HB2 LYS 27 HB2 LYS 27 -11.014 -0.949 3.406 231 HB3 LYS 27 HB3 LYS 27 -11.161 0.801 3.298 232 HG2 LYS 27 HG2 LYS 27 -13.252 0.257 1.843 233 HG3 LYS 27 HG3 LYS 27 -13.160 -1.312 2.645 234 HD2 LYS 27 HD2 LYS 27 -13.530 -0.390 4.754 235 HD3 LYS 27 HD3 LYS 27 -13.073 1.232 4.229 236 HE2 LYS 27 HE2 LYS 27 -15.442 -0.098 2.993 237 HE3 LYS 27 HE3 LYS 27 -15.590 0.607 4.602 238 HZ1 LYS 27 HZ1 LYS 27 -15.947 1.965 2.327 239 HZ2 LYS 27 HZ2 LYS 27 -14.319 2.305 2.634 240 HZ3 LYS 27 HZ3 LYS 27 -15.494 2.680 3.792 241 H VAL 28 H VAL 28 -9.399 -2.319 1.713 242 HA VAL 28 HA VAL 28 -6.995 -1.348 2.806 243 HB VAL 28 HB VAL 28 -7.309 -3.906 1.235 244 HG11 VAL 28 HG11 VAL 28 -5.487 -4.718 2.568 245 HG12 VAL 28 HG12 VAL 28 -5.005 -3.185 1.838 246 HG13 VAL 28 HG13 VAL 28 -5.479 -3.245 3.537 247 HG21 VAL 28 HG21 VAL 28 -8.531 -3.086 3.730 248 HG22 VAL 28 HG22 VAL 28 -8.827 -4.521 2.749 249 HG23 VAL 28 HG23 VAL 28 -7.519 -4.516 3.931 250 H LEU 29 H LEU 29 -7.630 -2.574 -0.487 251 HA LEU 29 HA LEU 29 -5.180 -2.000 -1.618 252 HB2 LEU 29 HB2 LEU 29 -7.954 -2.183 -2.692 253 HB3 LEU 29 HB3 LEU 29 -6.669 -1.601 -3.748 254 HG LEU 29 HG LEU 29 -7.060 -3.965 -4.105 255 HD11 LEU 29 HD11 LEU 29 -4.565 -2.799 -3.391 256 HD12 LEU 29 HD12 LEU 29 -4.893 -4.094 -4.543 257 HD13 LEU 29 HD13 LEU 29 -4.579 -4.478 -2.850 258 HD21 LEU 29 HD21 LEU 29 -6.754 -5.611 -2.389 259 HD22 LEU 29 HD22 LEU 29 -7.941 -4.434 -1.827 260 HD23 LEU 29 HD23 LEU 29 -6.285 -4.376 -1.221 261 H GLU 30 H GLU 30 -7.926 0.140 -1.085 262 HA GLU 30 HA GLU 30 -6.926 2.335 -2.568 263 HB2 GLU 30 HB2 GLU 30 -9.312 1.804 -1.484 264 HB3 GLU 30 HB3 GLU 30 -8.667 2.828 -0.209 265 HG2 GLU 30 HG2 GLU 30 -8.083 4.391 -2.260 266 HG3 GLU 30 HG3 GLU 30 -9.419 3.507 -2.995 267 H TRP 31 H TRP 31 -6.458 1.230 0.718 268 HA TRP 31 HA TRP 31 -5.175 3.644 1.603 269 HB2 TRP 31 HB2 TRP 31 -5.338 0.883 2.826 270 HB3 TRP 31 HB3 TRP 31 -4.589 2.270 3.613 271 HD1 TRP 31 HD1 TRP 31 -6.897 4.392 2.728 272 HE1 TRP 31 HE1 TRP 31 -9.147 4.316 3.977 273 HE3 TRP 31 HE3 TRP 31 -6.637 -0.365 4.582 274 HZ2 TRP 31 HZ2 TRP 31 -10.616 2.483 5.541 275 HZ3 TRP 31 HZ3 TRP 31 -8.505 -1.204 5.946 276 HH2 TRP 31 HH2 TRP 31 -10.453 0.192 6.415 277 H LEU 32 H LEU 32 -4.204 0.759 -0.012 278 HA LEU 32 HA LEU 32 -1.420 0.953 0.689 279 HB2 LEU 32 HB2 LEU 32 -2.765 -0.634 -1.493 280 HB3 LEU 32 HB3 LEU 32 -1.101 -0.832 -0.945 281 HG LEU 32 HG LEU 32 -3.374 -1.216 0.966 282 HD11 LEU 32 HD11 LEU 32 -3.216 -2.650 -1.388 283 HD12 LEU 32 HD12 LEU 32 -4.041 -3.150 0.088 284 HD13 LEU 32 HD13 LEU 32 -2.386 -3.675 -0.216 285 HD21 LEU 32 HD21 LEU 32 -1.346 -3.067 1.380 286 HD22 LEU 32 HD22 LEU 32 -1.633 -1.590 2.299 287 HD23 LEU 32 HD23 LEU 32 -0.505 -1.580 0.942 288 H ASN 33 H ASN 33 -3.492 2.335 -1.673 289 HA ASN 33 HA ASN 33 -1.266 3.078 -3.413 290 HB2 ASN 33 HB2 ASN 33 -3.266 2.296 -4.538 291 HB3 ASN 33 HB3 ASN 33 -4.251 3.486 -3.691 292 HD21 ASN 33 HD21 ASN 33 -4.792 5.141 -4.893 293 HD22 ASN 33 HD22 ASN 33 -3.853 5.833 -6.168 294 H VAL 34 H VAL 34 -3.666 4.516 -1.269 295 HA VAL 34 HA VAL 34 -2.722 7.205 -1.780 296 HB VAL 34 HB VAL 34 -4.388 7.934 -0.191 297 HG11 VAL 34 HG11 VAL 34 -5.958 7.705 -1.745 298 HG12 VAL 34 HG12 VAL 34 -4.931 6.512 -2.543 299 HG13 VAL 34 HG13 VAL 34 -6.144 5.991 -1.373 300 HG21 VAL 34 HG21 VAL 34 -4.640 6.606 1.602 301 HG22 VAL 34 HG22 VAL 34 -5.853 5.785 0.620 302 HG23 VAL 34 HG23 VAL 34 -4.211 5.149 0.707 303 H GLY 35 H GLY 35 -2.246 4.677 0.572 304 HA2 GLY 35 HA2 GLY 35 -1.030 6.382 2.547 305 HA3 GLY 35 HA3 GLY 35 -1.057 4.624 2.558 306 HA PRO 36 HA PRO 36 3.162 6.438 1.279 307 HB2 PRO 36 HB2 PRO 36 4.494 6.053 3.613 308 HB3 PRO 36 HB3 PRO 36 3.644 7.554 3.228 309 HG2 PRO 36 HG2 PRO 36 2.751 5.252 4.921 310 HG3 PRO 36 HG3 PRO 36 2.591 6.992 5.224 311 HD2 PRO 36 HD2 PRO 36 0.548 5.482 4.287 312 HD3 PRO 36 HD3 PRO 36 0.753 7.190 3.848 313 H THR 37 H THR 37 2.622 3.810 3.633 314 HA THR 37 HA THR 37 3.879 1.933 1.784 315 HB THR 37 HB THR 37 5.434 1.047 3.349 316 HG1 THR 37 HG1 THR 37 5.521 1.792 5.501 317 HG21 THR 37 HG21 THR 37 5.961 3.285 2.204 318 HG22 THR 37 HG22 THR 37 6.974 2.803 3.565 319 HG23 THR 37 HG23 THR 37 5.705 4.006 3.792 320 H LEU 38 H LEU 38 3.963 -0.309 3.269 321 HA LEU 38 HA LEU 38 1.216 -1.024 3.478 322 HB2 LEU 38 HB2 LEU 38 3.649 -2.564 4.368 323 HB3 LEU 38 HB3 LEU 38 2.033 -3.220 4.120 324 HG LEU 38 HG LEU 38 3.886 -2.150 1.993 325 HD11 LEU 38 HD11 LEU 38 4.721 -4.226 2.260 326 HD12 LEU 38 HD12 LEU 38 3.317 -4.684 1.298 327 HD13 LEU 38 HD13 LEU 38 3.267 -4.829 3.054 328 HD21 LEU 38 HD21 LEU 38 1.709 -3.558 0.889 329 HD22 LEU 38 HD22 LEU 38 2.098 -1.846 0.717 330 HD23 LEU 38 HD23 LEU 38 1.038 -2.383 2.021 331 H GLU 39 H GLU 39 3.774 -0.346 5.808 332 HA GLU 39 HA GLU 39 2.599 -1.219 8.147 333 HB2 GLU 39 HB2 GLU 39 4.907 -0.077 7.695 334 HB3 GLU 39 HB3 GLU 39 4.046 1.405 8.087 335 HG2 GLU 39 HG2 GLU 39 3.403 0.411 10.256 336 HG3 GLU 39 HG3 GLU 39 4.381 -1.001 9.862 337 H TRP 40 H TRP 40 2.155 1.889 6.498 338 HA TRP 40 HA TRP 40 0.487 3.093 8.391 339 HB2 TRP 40 HB2 TRP 40 1.568 4.230 6.430 340 HB3 TRP 40 HB3 TRP 40 0.350 3.487 5.397 341 HD1 TRP 40 HD1 TRP 40 0.567 5.971 8.357 342 HE1 TRP 40 HE1 TRP 40 -1.426 7.591 8.184 343 HE3 TRP 40 HE3 TRP 40 -1.852 3.858 4.380 344 HZ2 TRP 40 HZ2 TRP 40 -3.721 7.927 6.574 345 HZ3 TRP 40 HZ3 TRP 40 -3.940 4.890 3.586 346 HH2 TRP 40 HH2 TRP 40 -4.854 6.882 4.662 347 H VAL 41 H VAL 41 -0.422 1.347 5.416 348 HA VAL 41 HA VAL 41 -3.172 1.440 5.711 349 HB VAL 41 HB VAL 41 -1.632 -0.904 4.593 350 HG11 VAL 41 HG11 VAL 41 -3.810 -1.620 4.612 351 HG12 VAL 41 HG12 VAL 41 -4.464 0.010 4.443 352 HG13 VAL 41 HG13 VAL 41 -3.754 -0.806 3.049 353 HG21 VAL 41 HG21 VAL 41 -2.017 1.843 3.601 354 HG22 VAL 41 HG22 VAL 41 -0.752 0.670 3.235 355 HG23 VAL 41 HG23 VAL 41 -2.317 0.558 2.430 356 H TRP 42 H TRP 42 -0.891 -0.964 6.978 357 HA TRP 42 HA TRP 42 -2.661 -2.777 8.069 358 HB2 TRP 42 HB2 TRP 42 -0.339 -3.305 8.079 359 HB3 TRP 42 HB3 TRP 42 0.054 -1.868 9.019 360 HD1 TRP 42 HD1 TRP 42 0.923 -2.742 11.268 361 HE1 TRP 42 HE1 TRP 42 0.089 -4.417 13.035 362 HE3 TRP 42 HE3 TRP 42 -3.153 -4.576 8.787 363 HZ2 TRP 42 HZ2 TRP 42 -2.019 -6.271 13.337 364 HZ3 TRP 42 HZ3 TRP 42 -4.526 -6.298 9.884 365 HH2 TRP 42 HH2 TRP 42 -3.968 -7.127 12.112 366 H GLN 43 H GLN 43 -1.478 0.255 9.458 367 HA GLN 43 HA GLN 43 -2.748 -0.057 11.971 368 HB2 GLN 43 HB2 GLN 43 -1.687 2.348 10.498 369 HB3 GLN 43 HB3 GLN 43 -2.422 2.471 12.091 370 HG2 GLN 43 HG2 GLN 43 -0.187 0.549 11.634 371 HG3 GLN 43 HG3 GLN 43 0.154 2.265 11.851 372 HE21 GLN 43 HE21 GLN 43 0.896 0.055 13.554 373 HE22 GLN 43 HE22 GLN 43 0.191 0.363 15.100 374 H LYS 44 H LYS 44 -3.720 1.448 8.934 375 HA LYS 44 HA LYS 44 -6.098 2.639 9.906 376 HB2 LYS 44 HB2 LYS 44 -5.092 1.905 7.172 377 HB3 LYS 44 HB3 LYS 44 -6.730 2.510 7.390 378 HG2 LYS 44 HG2 LYS 44 -4.257 3.966 8.296 379 HG3 LYS 44 HG3 LYS 44 -5.074 4.247 6.757 380 HD2 LYS 44 HD2 LYS 44 -7.181 4.603 8.230 381 HD3 LYS 44 HD3 LYS 44 -6.018 4.832 9.538 382 HE2 LYS 44 HE2 LYS 44 -5.670 6.321 6.973 383 HE3 LYS 44 HE3 LYS 44 -6.866 6.876 8.144 384 HZ1 LYS 44 HZ1 LYS 44 -3.981 6.457 8.715 385 HZ2 LYS 44 HZ2 LYS 44 -5.135 7.045 9.802 386 HZ3 LYS 44 HZ3 LYS 44 -4.713 7.958 8.442 387 H LEU 45 H LEU 45 -5.459 -0.445 8.267 388 HA LEU 45 HA LEU 45 -8.138 -1.308 8.152 389 HB2 LEU 45 HB2 LEU 45 -6.639 -2.422 6.750 390 HB3 LEU 45 HB3 LEU 45 -5.494 -2.714 8.057 391 HG LEU 45 HG LEU 45 -7.114 -4.343 9.024 392 HD11 LEU 45 HD11 LEU 45 -8.954 -3.171 7.420 393 HD12 LEU 45 HD12 LEU 45 -9.128 -4.775 8.132 394 HD13 LEU 45 HD13 LEU 45 -8.549 -4.604 6.475 395 HD21 LEU 45 HD21 LEU 45 -5.308 -4.649 6.952 396 HD22 LEU 45 HD22 LEU 45 -6.753 -5.484 6.381 397 HD23 LEU 45 HD23 LEU 45 -6.021 -5.940 7.920 398 H LYS 46 H LYS 46 -5.552 -2.027 10.486 399 HA LYS 46 HA LYS 46 -6.917 -3.751 12.157 400 HB2 LYS 46 HB2 LYS 46 -4.448 -2.782 12.196 401 HB3 LYS 46 HB3 LYS 46 -5.141 -1.694 13.391 402 HG2 LYS 46 HG2 LYS 46 -5.983 -3.793 14.567 403 HG3 LYS 46 HG3 LYS 46 -4.882 -4.679 13.509 404 HD2 LYS 46 HD2 LYS 46 -3.220 -2.764 14.412 405 HD3 LYS 46 HD3 LYS 46 -4.306 -2.901 15.797 406 HE2 LYS 46 HE2 LYS 46 -3.868 -5.506 15.283 407 HE3 LYS 46 HE3 LYS 46 -2.343 -4.825 14.717 408 HZ1 LYS 46 HZ1 LYS 46 -2.055 -5.345 16.982 409 HZ2 LYS 46 HZ2 LYS 46 -3.520 -4.628 17.429 410 HZ3 LYS 46 HZ3 LYS 46 -2.226 -3.663 16.922 411 H LYS 47 H LYS 47 -7.208 -0.295 11.841 412 HA LYS 47 HA LYS 47 -8.578 0.181 14.284 413 HB2 LYS 47 HB2 LYS 47 -7.410 1.883 12.764 414 HB3 LYS 47 HB3 LYS 47 -8.868 1.835 11.783 415 HG2 LYS 47 HG2 LYS 47 -9.236 3.656 13.149 416 HG3 LYS 47 HG3 LYS 47 -10.093 2.366 13.996 417 HD2 LYS 47 HD2 LYS 47 -8.886 3.488 15.669 418 HD3 LYS 47 HD3 LYS 47 -7.938 2.039 15.324 419 HE2 LYS 47 HE2 LYS 47 -6.349 3.261 14.074 420 HE3 LYS 47 HE3 LYS 47 -7.392 4.681 13.995 421 HZ1 LYS 47 HZ1 LYS 47 -5.596 4.954 15.600 422 HZ2 LYS 47 HZ2 LYS 47 -6.143 3.609 16.467 423 HZ3 LYS 47 HZ3 LYS 47 -7.106 4.995 16.363 424 H ILE 48 H ILE 48 -9.748 -0.077 10.925 425 HA ILE 48 HA ILE 48 -12.492 0.002 11.626 426 HB ILE 48 HB ILE 48 -11.734 0.565 9.373 427 HG12 ILE 48 HG12 ILE 48 -13.490 -1.894 9.284 428 HG13 ILE 48 HG13 ILE 48 -14.053 -0.310 9.805 429 HG21 ILE 48 HG21 ILE 48 -11.107 -1.298 7.821 430 HG22 ILE 48 HG22 ILE 48 -9.913 -0.940 9.067 431 HG23 ILE 48 HG23 ILE 48 -10.967 -2.344 9.234 432 HD11 ILE 48 HD11 ILE 48 -14.158 -1.286 7.258 433 HD12 ILE 48 HD12 ILE 48 -14.268 0.415 7.713 434 HD13 ILE 48 HD13 ILE 48 -12.719 -0.267 7.217 435 H ALA 49 H ALA 49 -10.140 -2.548 11.463 436 HA ALA 49 HA ALA 49 -11.998 -4.715 11.365 437 HB1 ALA 49 HB1 ALA 49 -9.085 -4.594 12.123 438 HB2 ALA 49 HB2 ALA 49 -10.015 -6.089 12.022 439 HB3 ALA 49 HB3 ALA 49 -9.777 -5.101 10.581 440 H GLY 50 H GLY 50 -10.675 -2.731 13.885 441 HA2 GLY 50 HA2 GLY 50 -11.221 -2.592 16.116 442 HA3 GLY 50 HA3 GLY 50 -12.518 -3.737 15.805 443 H LEU 51 H LEU 51 -9.318 -4.662 14.923 444 HA LEU 51 HA LEU 51 -9.298 -7.016 16.365 445 HB2 LEU 51 HB2 LEU 51 -6.896 -5.372 15.583 446 HB3 LEU 51 HB3 LEU 51 -6.899 -7.091 15.970 447 HG LEU 51 HG LEU 51 -8.187 -5.786 13.573 448 HD11 LEU 51 HD11 LEU 51 -6.156 -5.989 12.692 449 HD12 LEU 51 HD12 LEU 51 -6.383 -7.735 12.776 450 HD13 LEU 51 HD13 LEU 51 -5.563 -6.890 14.088 451 HD21 LEU 51 HD21 LEU 51 -8.107 -8.679 14.424 452 HD22 LEU 51 HD22 LEU 51 -8.666 -8.094 12.856 453 HD23 LEU 51 HD23 LEU 51 -9.536 -7.650 14.325 Start of MODEL 12 1 H1 MET 1 H MET 1 2.166 -0.206 0.294 2 HA MET 1 HA MET 1 3.399 0.142 -2.113 3 HB2 MET 1 HB2 MET 1 4.355 -0.737 0.108 4 HB3 MET 1 HB3 MET 1 3.901 -2.332 -0.475 5 HG2 MET 1 HG2 MET 1 5.302 -1.960 -2.473 6 HG3 MET 1 HG3 MET 1 5.812 -0.418 -1.790 7 HE1 MET 1 HE1 MET 1 7.692 -2.052 -2.832 8 HE2 MET 1 HE2 MET 1 8.943 -2.406 -1.641 9 HE3 MET 1 HE3 MET 1 7.871 -3.690 -2.203 10 H SER 2 H SER 2 1.941 -2.948 -1.077 11 HA SER 2 HA SER 2 0.892 -3.412 -3.723 12 HB2 SER 2 HB2 SER 2 3.414 -4.183 -3.571 13 HB3 SER 2 HB3 SER 2 2.714 -5.575 -2.745 14 HG SER 2 HG SER 2 2.603 -6.180 -4.805 15 H TRP 3 H TRP 3 -0.431 -5.364 -3.829 16 HA TRP 3 HA TRP 3 -1.915 -5.728 -1.408 17 HB2 TRP 3 HB2 TRP 3 -3.128 -5.702 -3.481 18 HB3 TRP 3 HB3 TRP 3 -2.136 -6.999 -4.141 19 HD1 TRP 3 HD1 TRP 3 -3.319 -9.256 -4.125 20 HE1 TRP 3 HE1 TRP 3 -5.140 -10.386 -2.700 21 HE3 TRP 3 HE3 TRP 3 -4.108 -5.530 -0.716 22 HZ2 TRP 3 HZ2 TRP 3 -6.705 -9.777 -0.431 23 HZ3 TRP 3 HZ3 TRP 3 -5.785 -5.882 1.050 24 HH2 TRP 3 HH2 TRP 3 -7.056 -7.962 1.187 25 H LEU 4 H LEU 4 -0.401 -8.145 -3.557 26 HA LEU 4 HA LEU 4 -0.506 -10.296 -1.833 27 HB2 LEU 4 HB2 LEU 4 1.698 -9.694 -3.800 28 HB3 LEU 4 HB3 LEU 4 1.291 -11.277 -3.141 29 HG LEU 4 HG LEU 4 -0.667 -9.700 -4.785 30 HD11 LEU 4 HD11 LEU 4 0.079 -10.830 -6.756 31 HD12 LEU 4 HD12 LEU 4 1.279 -11.743 -5.840 32 HD13 LEU 4 HD13 LEU 4 1.462 -10.000 -6.041 33 HD21 LEU 4 HD21 LEU 4 -0.356 -12.622 -4.106 34 HD22 LEU 4 HD22 LEU 4 -1.552 -11.973 -5.229 35 HD23 LEU 4 HD23 LEU 4 -1.607 -11.523 -3.524 36 H ASN 5 H ASN 5 1.721 -7.611 -1.870 37 HA ASN 5 HA ASN 5 3.641 -8.791 -0.110 38 HB2 ASN 5 HB2 ASN 5 4.146 -6.927 -1.706 39 HB3 ASN 5 HB3 ASN 5 3.196 -5.855 -0.681 40 HD21 ASN 5 HD21 ASN 5 5.311 -4.718 -0.694 41 HD22 ASN 5 HD22 ASN 5 6.456 -5.145 0.527 42 H PHE 6 H PHE 6 0.959 -6.509 0.291 43 HA PHE 6 HA PHE 6 1.306 -5.880 2.971 44 HB2 PHE 6 HB2 PHE 6 -0.313 -4.710 1.595 45 HB3 PHE 6 HB3 PHE 6 -1.259 -6.181 1.398 46 HD1 PHE 6 HD1 PHE 6 -0.228 -3.576 3.784 47 HD2 PHE 6 HD2 PHE 6 -2.795 -6.892 3.060 48 HE1 PHE 6 HE1 PHE 6 -1.542 -2.990 5.780 49 HE2 PHE 6 HE2 PHE 6 -4.114 -6.311 5.055 50 HZ PHE 6 HZ PHE 6 -3.488 -4.358 6.417 51 H LEU 7 H LEU 7 -0.877 -8.375 1.650 52 HA LEU 7 HA LEU 7 -1.688 -9.509 4.030 53 HB2 LEU 7 HB2 LEU 7 -1.153 -10.916 1.418 54 HB3 LEU 7 HB3 LEU 7 -2.119 -11.557 2.746 55 HG LEU 7 HG LEU 7 -2.811 -9.062 1.200 56 HD11 LEU 7 HD11 LEU 7 -3.356 -11.924 0.685 57 HD12 LEU 7 HD12 LEU 7 -3.203 -10.574 -0.440 58 HD13 LEU 7 HD13 LEU 7 -4.697 -10.798 0.471 59 HD21 LEU 7 HD21 LEU 7 -4.273 -10.711 3.252 60 HD22 LEU 7 HD22 LEU 7 -5.056 -9.507 2.228 61 HD23 LEU 7 HD23 LEU 7 -3.798 -9.016 3.364 62 H LYS 8 H LYS 8 1.105 -10.444 2.033 63 HA LYS 8 HA LYS 8 2.042 -12.530 3.618 64 HB2 LYS 8 HB2 LYS 8 2.834 -11.468 1.283 65 HB3 LYS 8 HB3 LYS 8 4.061 -10.772 2.333 66 HG2 LYS 8 HG2 LYS 8 4.247 -13.273 3.170 67 HG3 LYS 8 HG3 LYS 8 3.601 -13.597 1.560 68 HD2 LYS 8 HD2 LYS 8 5.922 -13.637 1.267 69 HD3 LYS 8 HD3 LYS 8 5.446 -12.030 0.713 70 HE2 LYS 8 HE2 LYS 8 7.301 -11.605 2.047 71 HE3 LYS 8 HE3 LYS 8 5.947 -11.291 3.131 72 HZ1 LYS 8 HZ1 LYS 8 6.245 -13.416 4.147 73 HZ2 LYS 8 HZ2 LYS 8 7.742 -12.629 4.140 74 HZ3 LYS 8 HZ3 LYS 8 7.429 -13.860 3.023 75 H TYR 9 H TYR 9 2.578 -9.057 3.879 76 HA TYR 9 HA TYR 9 4.557 -9.193 5.904 77 HB2 TYR 9 HB2 TYR 9 4.333 -7.185 4.586 78 HB3 TYR 9 HB3 TYR 9 2.665 -6.974 5.106 79 HD1 TYR 9 HD1 TYR 9 6.083 -7.289 6.591 80 HD2 TYR 9 HD2 TYR 9 2.250 -5.454 6.791 81 HE1 TYR 9 HE1 TYR 9 6.853 -5.900 8.469 82 HE2 TYR 9 HE2 TYR 9 3.009 -4.059 8.670 83 HH TYR 9 HH TYR 9 6.284 -3.780 9.546 84 H ILE 10 H ILE 10 1.126 -8.233 6.127 85 HA ILE 10 HA ILE 10 0.998 -8.191 8.919 86 HB ILE 10 HB ILE 10 -1.431 -8.316 8.678 87 HG12 ILE 10 HG12 ILE 10 -0.934 -8.790 5.733 88 HG13 ILE 10 HG13 ILE 10 -1.396 -10.055 6.867 89 HG21 ILE 10 HG21 ILE 10 0.286 -6.418 7.428 90 HG22 ILE 10 HG22 ILE 10 -1.188 -6.566 6.473 91 HG23 ILE 10 HG23 ILE 10 -1.285 -6.158 8.186 92 HD11 ILE 10 HD11 ILE 10 -3.202 -8.919 5.414 93 HD12 ILE 10 HD12 ILE 10 -3.532 -9.222 7.120 94 HD13 ILE 10 HD13 ILE 10 -3.077 -7.605 6.583 95 H ALA 11 H ALA 11 1.061 -10.832 6.725 96 HA ALA 11 HA ALA 11 -0.337 -12.820 8.028 97 HB1 ALA 11 HB1 ALA 11 1.018 -14.402 6.863 98 HB2 ALA 11 HB2 ALA 11 0.793 -13.007 5.808 99 HB3 ALA 11 HB3 ALA 11 2.318 -13.227 6.666 100 H LYS 12 H LYS 12 2.736 -11.391 8.856 101 HA LYS 12 HA LYS 12 3.768 -13.329 10.568 102 HB2 LYS 12 HB2 LYS 12 5.087 -11.559 11.556 103 HB3 LYS 12 HB3 LYS 12 4.988 -11.305 9.818 104 HG2 LYS 12 HG2 LYS 12 2.932 -9.796 10.527 105 HG3 LYS 12 HG3 LYS 12 3.837 -9.717 12.041 106 HD2 LYS 12 HD2 LYS 12 5.302 -9.265 9.490 107 HD3 LYS 12 HD3 LYS 12 4.251 -7.981 10.093 108 HE2 LYS 12 HE2 LYS 12 6.198 -7.405 11.136 109 HE3 LYS 12 HE3 LYS 12 5.521 -8.488 12.352 110 HZ1 LYS 12 HZ1 LYS 12 7.909 -8.762 10.817 111 HZ2 LYS 12 HZ2 LYS 12 6.919 -10.125 10.663 112 HZ3 LYS 12 HZ3 LYS 12 7.415 -9.610 12.196 113 H TYR 13 H TYR 13 1.208 -11.009 11.052 114 HA TYR 13 HA TYR 13 1.094 -11.281 13.896 115 HB2 TYR 13 HB2 TYR 13 -1.035 -10.282 11.994 116 HB3 TYR 13 HB3 TYR 13 -0.994 -10.030 13.735 117 HD1 TYR 13 HD2 TYR 13 1.395 -8.980 14.526 118 HD2 TYR 13 HD1 TYR 13 -0.425 -8.472 10.714 119 HE1 TYR 13 HE2 TYR 13 2.671 -6.904 14.200 120 HE2 TYR 13 HE1 TYR 13 0.847 -6.395 10.377 121 HH TYR 13 HH TYR 13 2.635 -5.185 11.143 122 H GLY 14 H GLY 14 -0.307 -12.956 11.179 123 HA2 GLY 14 HA2 GLY 14 -0.847 -15.347 11.938 124 HA3 GLY 14 HA3 GLY 14 -1.985 -14.543 13.009 125 H LYS 15 H LYS 15 -3.475 -16.026 11.816 126 HA LYS 15 HA LYS 15 -4.184 -15.085 9.140 127 HB2 LYS 15 HB2 LYS 15 -5.293 -17.411 10.723 128 HB3 LYS 15 HB3 LYS 15 -5.636 -17.049 9.036 129 HG2 LYS 15 HG2 LYS 15 -3.580 -17.764 8.320 130 HG3 LYS 15 HG3 LYS 15 -2.808 -17.451 9.876 131 HD2 LYS 15 HD2 LYS 15 -2.915 -19.779 9.772 132 HD3 LYS 15 HD3 LYS 15 -4.310 -19.344 10.763 133 HE2 LYS 15 HE2 LYS 15 -5.810 -19.688 8.968 134 HE3 LYS 15 HE3 LYS 15 -4.501 -19.754 7.790 135 HZ1 LYS 15 HZ1 LYS 15 -3.737 -21.811 8.887 136 HZ2 LYS 15 HZ2 LYS 15 -5.282 -21.959 8.214 137 HZ3 LYS 15 HZ3 LYS 15 -5.102 -21.768 9.886 138 H LYS 16 H LYS 16 -4.683 -13.554 11.650 139 HA LYS 16 HA LYS 16 -7.616 -13.505 11.687 140 HB2 LYS 16 HB2 LYS 16 -7.444 -12.251 13.735 141 HB3 LYS 16 HB3 LYS 16 -6.396 -13.658 13.853 142 HG2 LYS 16 HG2 LYS 16 -4.534 -12.056 13.067 143 HG3 LYS 16 HG3 LYS 16 -5.657 -10.778 13.539 144 HD2 LYS 16 HD2 LYS 16 -5.016 -13.017 15.424 145 HD3 LYS 16 HD3 LYS 16 -3.925 -11.639 15.264 146 HE2 LYS 16 HE2 LYS 16 -6.856 -11.483 15.959 147 HE3 LYS 16 HE3 LYS 16 -5.525 -11.352 17.108 148 HZ1 LYS 16 HZ1 LYS 16 -5.998 -9.165 16.668 149 HZ2 LYS 16 HZ2 LYS 16 -6.391 -9.443 15.047 150 HZ3 LYS 16 HZ3 LYS 16 -4.772 -9.453 15.538 151 H ALA 17 H ALA 17 -4.820 -11.664 10.759 152 HA ALA 17 HA ALA 17 -6.380 -9.255 10.271 153 HB1 ALA 17 HB1 ALA 17 -4.223 -8.859 11.182 154 HB2 ALA 17 HB2 ALA 17 -3.451 -9.878 9.966 155 HB3 ALA 17 HB3 ALA 17 -4.173 -8.338 9.497 156 H VAL 18 H VAL 18 -5.127 -11.990 8.559 157 HA VAL 18 HA VAL 18 -5.099 -10.906 5.949 158 HB VAL 18 HB VAL 18 -3.965 -13.010 6.511 159 HG11 VAL 18 HG11 VAL 18 -5.183 -15.058 6.863 160 HG12 VAL 18 HG12 VAL 18 -5.710 -13.865 8.052 161 HG13 VAL 18 HG13 VAL 18 -6.722 -14.224 6.652 162 HG21 VAL 18 HG21 VAL 18 -4.809 -14.344 4.539 163 HG22 VAL 18 HG22 VAL 18 -6.068 -13.122 4.360 164 HG23 VAL 18 HG23 VAL 18 -4.370 -12.670 4.202 165 H SER 19 H SER 19 -7.621 -12.331 7.925 166 HA SER 19 HA SER 19 -9.530 -12.659 5.850 167 HB2 SER 19 HB2 SER 19 -9.522 -13.728 8.191 168 HB3 SER 19 HB3 SER 19 -10.224 -12.210 8.749 169 HG SER 19 HG SER 19 -11.393 -14.265 7.418 170 H ALA 20 H ALA 20 -9.233 -10.195 8.410 171 HA ALA 20 HA ALA 20 -11.324 -8.552 7.677 172 HB1 ALA 20 HB1 ALA 20 -10.007 -6.708 8.737 173 HB2 ALA 20 HB2 ALA 20 -10.168 -8.160 9.725 174 HB3 ALA 20 HB3 ALA 20 -8.657 -7.834 8.877 175 H ALA 21 H ALA 21 -8.051 -8.678 6.364 176 HA ALA 21 HA ALA 21 -8.215 -6.371 4.753 177 HB1 ALA 21 HB1 ALA 21 -6.551 -8.834 4.252 178 HB2 ALA 21 HB2 ALA 21 -6.265 -7.213 3.619 179 HB3 ALA 21 HB3 ALA 21 -6.107 -7.525 5.348 180 H TRP 22 H TRP 22 -9.197 -9.701 4.237 181 HA TRP 22 HA TRP 22 -9.707 -9.393 1.438 182 HB2 TRP 22 HB2 TRP 22 -10.196 -11.508 3.484 183 HB3 TRP 22 HB3 TRP 22 -11.133 -11.566 1.994 184 HD1 TRP 22 HD1 TRP 22 -8.027 -12.844 3.380 185 HE1 TRP 22 HE1 TRP 22 -6.417 -13.620 1.528 186 HE3 TRP 22 HE3 TRP 22 -10.293 -10.644 -0.640 187 HZ2 TRP 22 HZ2 TRP 22 -6.144 -13.337 -1.267 188 HZ3 TRP 22 HZ3 TRP 22 -9.293 -10.945 -2.868 189 HH2 TRP 22 HH2 TRP 22 -7.261 -12.264 -3.173 190 H LYS 23 H LYS 23 -11.610 -9.130 4.381 191 HA LYS 23 HA LYS 23 -14.135 -8.933 3.067 192 HB2 LYS 23 HB2 LYS 23 -13.509 -9.480 5.577 193 HB3 LYS 23 HB3 LYS 23 -13.671 -7.739 5.765 194 HG2 LYS 23 HG2 LYS 23 -15.952 -8.157 4.517 195 HG3 LYS 23 HG3 LYS 23 -15.737 -9.786 5.163 196 HD2 LYS 23 HD2 LYS 23 -15.245 -8.504 7.395 197 HD3 LYS 23 HD3 LYS 23 -16.140 -7.203 6.607 198 HE2 LYS 23 HE2 LYS 23 -18.061 -8.626 6.332 199 HE3 LYS 23 HE3 LYS 23 -17.166 -10.020 6.934 200 HZ1 LYS 23 HZ1 LYS 23 -16.998 -8.015 8.861 201 HZ2 LYS 23 HZ2 LYS 23 -17.819 -9.490 8.965 202 HZ3 LYS 23 HZ3 LYS 23 -18.622 -8.115 8.396 203 H TYR 24 H TYR 24 -11.779 -6.600 4.281 204 HA TYR 24 HA TYR 24 -13.385 -4.435 3.098 205 HB2 TYR 24 HB2 TYR 24 -11.147 -4.159 5.109 206 HB3 TYR 24 HB3 TYR 24 -12.270 -2.907 4.589 207 HD1 TYR 24 HD1 TYR 24 -14.861 -4.200 4.743 208 HD2 TYR 24 HD2 TYR 24 -11.525 -4.533 7.363 209 HE1 TYR 24 HE1 TYR 24 -16.377 -4.789 6.588 210 HE2 TYR 24 HE2 TYR 24 -13.032 -5.124 9.215 211 HH TYR 24 HH TYR 24 -15.241 -5.063 9.882 212 H LYS 25 H LYS 25 -11.699 -6.188 1.553 213 HA LYS 25 HA LYS 25 -9.173 -5.246 0.964 214 HB2 LYS 25 HB2 LYS 25 -10.184 -7.297 0.008 215 HB3 LYS 25 HB3 LYS 25 -11.203 -6.294 -1.017 216 HG2 LYS 25 HG2 LYS 25 -9.343 -5.507 -2.252 217 HG3 LYS 25 HG3 LYS 25 -8.200 -6.187 -1.091 218 HD2 LYS 25 HD2 LYS 25 -8.211 -7.649 -2.957 219 HD3 LYS 25 HD3 LYS 25 -9.132 -8.457 -1.687 220 HE2 LYS 25 HE2 LYS 25 -11.149 -8.133 -2.761 221 HE3 LYS 25 HE3 LYS 25 -10.558 -6.747 -3.676 222 HZ1 LYS 25 HZ1 LYS 25 -9.401 -8.134 -5.148 223 HZ2 LYS 25 HZ2 LYS 25 -10.908 -8.877 -4.953 224 HZ3 LYS 25 HZ3 LYS 25 -9.552 -9.490 -4.148 225 H GLY 26 H GLY 26 -12.285 -4.143 -0.346 226 HA2 GLY 26 HA2 GLY 26 -11.388 -2.323 -2.227 227 HA3 GLY 26 HA3 GLY 26 -12.879 -2.146 -1.314 228 H LYS 27 H LYS 27 -11.711 -1.889 1.263 229 HA LYS 27 HA LYS 27 -10.931 0.892 1.115 230 HB2 LYS 27 HB2 LYS 27 -11.731 -0.988 3.294 231 HB3 LYS 27 HB3 LYS 27 -10.836 0.464 3.721 232 HG2 LYS 27 HG2 LYS 27 -12.681 1.611 2.216 233 HG3 LYS 27 HG3 LYS 27 -13.595 0.170 2.670 234 HD2 LYS 27 HD2 LYS 27 -12.673 0.824 5.078 235 HD3 LYS 27 HD3 LYS 27 -12.639 2.429 4.345 236 HE2 LYS 27 HE2 LYS 27 -15.064 0.657 4.229 237 HE3 LYS 27 HE3 LYS 27 -14.766 1.755 5.575 238 HZ1 LYS 27 HZ1 LYS 27 -14.427 3.167 3.178 239 HZ2 LYS 27 HZ2 LYS 27 -15.597 3.401 4.377 240 HZ3 LYS 27 HZ3 LYS 27 -15.902 2.343 3.093 241 H VAL 28 H VAL 28 -9.426 -2.186 1.641 242 HA VAL 28 HA VAL 28 -7.061 -1.236 2.909 243 HB VAL 28 HB VAL 28 -7.499 -3.777 1.332 244 HG11 VAL 28 HG11 VAL 28 -5.541 -4.607 2.600 245 HG12 VAL 28 HG12 VAL 28 -5.144 -3.288 1.497 246 HG13 VAL 28 HG13 VAL 28 -5.294 -2.977 3.227 247 HG21 VAL 28 HG21 VAL 28 -8.426 -2.934 3.908 248 HG22 VAL 28 HG22 VAL 28 -8.722 -4.453 3.061 249 HG23 VAL 28 HG23 VAL 28 -7.302 -4.280 4.093 250 H LEU 29 H LEU 29 -7.657 -2.366 -0.424 251 HA LEU 29 HA LEU 29 -5.184 -1.768 -1.502 252 HB2 LEU 29 HB2 LEU 29 -7.940 -1.947 -2.616 253 HB3 LEU 29 HB3 LEU 29 -6.655 -1.312 -3.641 254 HG LEU 29 HG LEU 29 -7.124 -3.731 -3.970 255 HD11 LEU 29 HD11 LEU 29 -4.407 -2.866 -3.019 256 HD12 LEU 29 HD12 LEU 29 -5.006 -2.960 -4.674 257 HD13 LEU 29 HD13 LEU 29 -4.710 -4.438 -3.758 258 HD21 LEU 29 HD21 LEU 29 -6.472 -5.333 -2.305 259 HD22 LEU 29 HD22 LEU 29 -7.637 -4.218 -1.589 260 HD23 LEU 29 HD23 LEU 29 -5.919 -4.052 -1.226 261 H GLU 30 H GLU 30 -7.816 0.366 -0.699 262 HA GLU 30 HA GLU 30 -6.934 2.601 -2.220 263 HB2 GLU 30 HB2 GLU 30 -8.863 2.210 0.038 264 HB3 GLU 30 HB3 GLU 30 -8.397 3.838 -0.435 265 HG2 GLU 30 HG2 GLU 30 -9.130 3.318 -2.747 266 HG3 GLU 30 HG3 GLU 30 -9.720 1.763 -2.163 267 H TRP 31 H TRP 31 -6.282 1.426 1.022 268 HA TRP 31 HA TRP 31 -4.849 3.792 1.819 269 HB2 TRP 31 HB2 TRP 31 -5.149 1.059 3.070 270 HB3 TRP 31 HB3 TRP 31 -4.191 2.349 3.792 271 HD1 TRP 31 HD1 TRP 31 -6.143 4.790 3.355 272 HE1 TRP 31 HE1 TRP 31 -8.346 4.926 4.678 273 HE3 TRP 31 HE3 TRP 31 -6.670 -0.149 4.563 274 HZ2 TRP 31 HZ2 TRP 31 -10.078 3.172 6.053 275 HZ3 TRP 31 HZ3 TRP 31 -8.628 -0.837 5.885 276 HH2 TRP 31 HH2 TRP 31 -10.295 0.790 6.614 277 H LEU 32 H LEU 32 -4.106 0.832 0.208 278 HA LEU 32 HA LEU 32 -1.313 0.789 0.776 279 HB2 LEU 32 HB2 LEU 32 -2.867 -0.476 -1.476 280 HB3 LEU 32 HB3 LEU 32 -1.191 -0.835 -1.067 281 HG LEU 32 HG LEU 32 -3.476 -1.305 0.836 282 HD11 LEU 32 HD11 LEU 32 -3.038 -2.654 -1.571 283 HD12 LEU 32 HD12 LEU 32 -4.053 -3.166 -0.223 284 HD13 LEU 32 HD13 LEU 32 -2.374 -3.698 -0.314 285 HD21 LEU 32 HD21 LEU 32 -1.464 -3.090 1.360 286 HD22 LEU 32 HD22 LEU 32 -1.746 -1.578 2.224 287 HD23 LEU 32 HD23 LEU 32 -0.578 -1.635 0.903 288 H ASN 33 H ASN 33 -3.299 2.516 -1.446 289 HA ASN 33 HA ASN 33 -1.016 3.258 -3.114 290 HB2 ASN 33 HB2 ASN 33 -3.079 2.663 -4.279 291 HB3 ASN 33 HB3 ASN 33 -3.960 3.901 -3.390 292 HD21 ASN 33 HD21 ASN 33 -3.836 5.999 -4.025 293 HD22 ASN 33 HD22 ASN 33 -3.015 6.520 -5.453 294 H VAL 34 H VAL 34 -3.640 4.896 -1.337 295 HA VAL 34 HA VAL 34 -2.475 7.470 -1.499 296 HB VAL 34 HB VAL 34 -4.112 8.165 0.140 297 HG11 VAL 34 HG11 VAL 34 -5.990 7.833 -1.143 298 HG12 VAL 34 HG12 VAL 34 -4.721 7.402 -2.291 299 HG13 VAL 34 HG13 VAL 34 -5.616 6.137 -1.447 300 HG21 VAL 34 HG21 VAL 34 -4.461 6.757 1.845 301 HG22 VAL 34 HG22 VAL 34 -5.646 5.988 0.790 302 HG23 VAL 34 HG23 VAL 34 -4.007 5.344 0.891 303 H GLY 35 H GLY 35 -2.044 4.793 0.678 304 HA2 GLY 35 HA2 GLY 35 -0.742 6.376 2.721 305 HA3 GLY 35 HA3 GLY 35 -0.904 4.626 2.698 306 HA PRO 36 HA PRO 36 3.433 6.142 1.419 307 HB2 PRO 36 HB2 PRO 36 4.746 5.630 3.740 308 HB3 PRO 36 HB3 PRO 36 4.007 7.195 3.379 309 HG2 PRO 36 HG2 PRO 36 2.957 4.944 5.049 310 HG3 PRO 36 HG3 PRO 36 2.927 6.687 5.375 311 HD2 PRO 36 HD2 PRO 36 0.773 5.344 4.433 312 HD3 PRO 36 HD3 PRO 36 1.101 7.038 4.014 313 H THR 37 H THR 37 2.715 3.532 3.745 314 HA THR 37 HA THR 37 3.709 1.561 1.860 315 HB THR 37 HB THR 37 5.215 0.516 3.556 316 HG1 THR 37 HG1 THR 37 5.888 1.913 5.292 317 HG21 THR 37 HG21 THR 37 6.148 3.318 3.019 318 HG22 THR 37 HG22 THR 37 5.927 2.164 1.704 319 HG23 THR 37 HG23 THR 37 7.073 1.818 2.998 320 H LEU 38 H LEU 38 3.725 -0.687 3.213 321 HA LEU 38 HA LEU 38 1.014 -1.211 3.773 322 HB2 LEU 38 HB2 LEU 38 3.357 -2.908 4.603 323 HB3 LEU 38 HB3 LEU 38 1.701 -3.433 4.305 324 HG LEU 38 HG LEU 38 3.597 -2.400 2.196 325 HD11 LEU 38 HD11 LEU 38 4.527 -4.430 2.489 326 HD12 LEU 38 HD12 LEU 38 3.134 -4.974 1.555 327 HD13 LEU 38 HD13 LEU 38 3.112 -5.080 3.316 328 HD21 LEU 38 HD21 LEU 38 1.489 -3.923 1.119 329 HD22 LEU 38 HD22 LEU 38 1.790 -2.196 0.926 330 HD23 LEU 38 HD23 LEU 38 0.762 -2.771 2.239 331 H GLU 39 H GLU 39 3.801 -0.628 5.853 332 HA GLU 39 HA GLU 39 2.783 -1.358 8.311 333 HB2 GLU 39 HB2 GLU 39 5.095 -0.640 7.998 334 HB3 GLU 39 HB3 GLU 39 4.559 1.000 7.660 335 HG2 GLU 39 HG2 GLU 39 3.822 1.308 9.898 336 HG3 GLU 39 HG3 GLU 39 4.049 -0.400 10.270 337 H TRP 40 H TRP 40 2.032 1.430 6.359 338 HA TRP 40 HA TRP 40 0.643 2.823 8.463 339 HB2 TRP 40 HB2 TRP 40 1.781 3.961 6.528 340 HB3 TRP 40 HB3 TRP 40 0.503 3.337 5.487 341 HD1 TRP 40 HD1 TRP 40 0.944 5.710 8.509 342 HE1 TRP 40 HE1 TRP 40 -0.952 7.450 8.441 343 HE3 TRP 40 HE3 TRP 40 -1.717 3.854 4.558 344 HZ2 TRP 40 HZ2 TRP 40 -3.270 7.966 6.914 345 HZ3 TRP 40 HZ3 TRP 40 -3.762 5.030 3.858 346 HH2 TRP 40 HH2 TRP 40 -4.521 7.043 5.013 347 H VAL 41 H VAL 41 -0.273 0.957 5.588 348 HA VAL 41 HA VAL 41 -3.059 1.272 5.861 349 HB VAL 41 HB VAL 41 -1.585 -1.045 4.602 350 HG11 VAL 41 HG11 VAL 41 -4.429 -0.112 4.522 351 HG12 VAL 41 HG12 VAL 41 -3.736 -1.009 3.169 352 HG13 VAL 41 HG13 VAL 41 -3.794 -1.738 4.774 353 HG21 VAL 41 HG21 VAL 41 -2.192 1.714 3.662 354 HG22 VAL 41 HG22 VAL 41 -0.763 0.718 3.388 355 HG23 VAL 41 HG23 VAL 41 -2.249 0.390 2.497 356 H TRP 42 H TRP 42 -0.788 -1.032 7.229 357 HA TRP 42 HA TRP 42 -2.543 -2.965 8.172 358 HB2 TRP 42 HB2 TRP 42 -0.220 -3.418 8.317 359 HB3 TRP 42 HB3 TRP 42 0.086 -1.954 9.247 360 HD1 TRP 42 HD1 TRP 42 0.921 -2.801 11.524 361 HE1 TRP 42 HE1 TRP 42 0.054 -4.458 13.293 362 HE3 TRP 42 HE3 TRP 42 -3.066 -4.715 8.959 363 HZ2 TRP 42 HZ2 TRP 42 -2.042 -6.329 13.565 364 HZ3 TRP 42 HZ3 TRP 42 -4.451 -6.435 10.044 365 HH2 TRP 42 HH2 TRP 42 -3.948 -7.224 12.299 366 H GLN 43 H GLN 43 -1.134 -0.367 10.174 367 HA GLN 43 HA GLN 43 -2.777 -0.665 12.371 368 HB2 GLN 43 HB2 GLN 43 -1.705 1.963 11.334 369 HB3 GLN 43 HB3 GLN 43 -2.165 1.597 12.991 370 HG2 GLN 43 HG2 GLN 43 -0.290 -0.344 12.352 371 HG3 GLN 43 HG3 GLN 43 0.332 1.135 11.620 372 HE21 GLN 43 HE21 GLN 43 0.549 -0.677 14.269 373 HE22 GLN 43 HE22 GLN 43 0.904 0.528 15.455 374 H LYS 44 H LYS 44 -3.255 1.519 9.601 375 HA LYS 44 HA LYS 44 -5.624 2.707 10.376 376 HB2 LYS 44 HB2 LYS 44 -4.364 2.097 7.747 377 HB3 LYS 44 HB3 LYS 44 -6.047 2.608 7.747 378 HG2 LYS 44 HG2 LYS 44 -3.823 4.152 9.059 379 HG3 LYS 44 HG3 LYS 44 -4.405 4.447 7.418 380 HD2 LYS 44 HD2 LYS 44 -6.741 4.570 8.647 381 HD3 LYS 44 HD3 LYS 44 -5.727 4.975 10.034 382 HE2 LYS 44 HE2 LYS 44 -6.111 7.064 9.175 383 HE3 LYS 44 HE3 LYS 44 -4.622 6.642 8.331 384 HZ1 LYS 44 HZ1 LYS 44 -6.154 7.531 6.760 385 HZ2 LYS 44 HZ2 LYS 44 -7.385 6.485 7.261 386 HZ3 LYS 44 HZ3 LYS 44 -6.027 5.871 6.459 387 H LEU 45 H LEU 45 -5.253 -0.238 8.402 388 HA LEU 45 HA LEU 45 -7.992 -0.826 8.213 389 HB2 LEU 45 HB2 LEU 45 -6.593 -1.913 6.692 390 HB3 LEU 45 HB3 LEU 45 -5.499 -2.467 7.957 391 HG LEU 45 HG LEU 45 -7.289 -4.026 8.726 392 HD11 LEU 45 HD11 LEU 45 -8.979 -2.501 7.265 393 HD12 LEU 45 HD12 LEU 45 -9.320 -4.153 7.778 394 HD13 LEU 45 HD13 LEU 45 -8.700 -3.844 6.156 395 HD21 LEU 45 HD21 LEU 45 -7.005 -4.896 5.976 396 HD22 LEU 45 HD22 LEU 45 -6.334 -5.584 7.455 397 HD23 LEU 45 HD23 LEU 45 -5.493 -4.269 6.633 398 H LYS 46 H LYS 46 -5.599 -1.570 10.662 399 HA LYS 46 HA LYS 46 -6.851 -3.578 12.081 400 HB2 LYS 46 HB2 LYS 46 -4.576 -2.314 12.458 401 HB3 LYS 46 HB3 LYS 46 -5.532 -1.337 13.564 402 HG2 LYS 46 HG2 LYS 46 -6.004 -3.176 14.950 403 HG3 LYS 46 HG3 LYS 46 -5.458 -4.333 13.734 404 HD2 LYS 46 HD2 LYS 46 -3.192 -2.982 14.010 405 HD3 LYS 46 HD3 LYS 46 -3.880 -2.639 15.599 406 HE2 LYS 46 HE2 LYS 46 -4.104 -5.441 14.806 407 HE3 LYS 46 HE3 LYS 46 -2.438 -4.875 14.922 408 HZ1 LYS 46 HZ1 LYS 46 -2.558 -4.829 17.126 409 HZ2 LYS 46 HZ2 LYS 46 -4.007 -5.691 16.997 410 HZ3 LYS 46 HZ3 LYS 46 -4.035 -4.004 17.126 411 H LYS 47 H LYS 47 -7.507 -0.124 12.087 412 HA LYS 47 HA LYS 47 -9.229 -0.054 14.311 413 HB2 LYS 47 HB2 LYS 47 -8.187 1.919 13.104 414 HB3 LYS 47 HB3 LYS 47 -9.432 1.720 11.877 415 HG2 LYS 47 HG2 LYS 47 -11.162 2.139 13.515 416 HG3 LYS 47 HG3 LYS 47 -9.953 2.244 14.797 417 HD2 LYS 47 HD2 LYS 47 -10.242 4.468 14.337 418 HD3 LYS 47 HD3 LYS 47 -8.933 4.092 13.215 419 HE2 LYS 47 HE2 LYS 47 -10.357 4.073 11.372 420 HE3 LYS 47 HE3 LYS 47 -11.796 3.852 12.367 421 HZ1 LYS 47 HZ1 LYS 47 -10.817 6.226 11.376 422 HZ2 LYS 47 HZ2 LYS 47 -10.466 6.270 13.029 423 HZ3 LYS 47 HZ3 LYS 47 -12.058 6.035 12.509 424 H ILE 48 H ILE 48 -10.131 0.063 10.858 425 HA ILE 48 HA ILE 48 -12.861 -0.383 11.251 426 HB ILE 48 HB ILE 48 -12.026 0.460 9.139 427 HG12 ILE 48 HG12 ILE 48 -13.256 -2.258 8.659 428 HG13 ILE 48 HG13 ILE 48 -14.167 -0.869 9.241 429 HG21 ILE 48 HG21 ILE 48 -10.817 -2.270 8.723 430 HG22 ILE 48 HG22 ILE 48 -10.803 -0.935 7.572 431 HG23 ILE 48 HG23 ILE 48 -9.919 -0.798 9.092 432 HD11 ILE 48 HD11 ILE 48 -14.032 -1.518 6.677 433 HD12 ILE 48 HD12 ILE 48 -14.151 0.155 7.222 434 HD13 ILE 48 HD13 ILE 48 -12.585 -0.515 6.767 435 H ALA 49 H ALA 49 -10.181 -2.591 11.163 436 HA ALA 49 HA ALA 49 -11.670 -4.966 10.681 437 HB1 ALA 49 HB1 ALA 49 -8.929 -4.437 11.786 438 HB2 ALA 49 HB2 ALA 49 -9.594 -6.068 11.676 439 HB3 ALA 49 HB3 ALA 49 -9.377 -5.103 10.216 440 H GLY 50 H GLY 50 -10.897 -3.106 13.537 441 HA2 GLY 50 HA2 GLY 50 -11.822 -3.211 15.648 442 HA3 GLY 50 HA3 GLY 50 -12.880 -4.489 15.069 443 H LEU 51 H LEU 51 -9.441 -4.790 14.711 444 HA LEU 51 HA LEU 51 -9.376 -7.246 16.113 445 HB2 LEU 51 HB2 LEU 51 -7.037 -5.487 15.403 446 HB3 LEU 51 HB3 LEU 51 -7.004 -7.219 15.729 447 HG LEU 51 HG LEU 51 -8.259 -5.871 13.339 448 HD11 LEU 51 HD11 LEU 51 -6.363 -7.696 12.505 449 HD12 LEU 51 HD12 LEU 51 -5.612 -6.915 13.896 450 HD13 LEU 51 HD13 LEU 51 -6.184 -5.942 12.541 451 HD21 LEU 51 HD21 LEU 51 -8.061 -8.797 14.047 452 HD22 LEU 51 HD22 LEU 51 -8.659 -8.142 12.522 453 HD23 LEU 51 HD23 LEU 51 -9.537 -7.832 14.021 Start of MODEL 13 1 H1 MET 1 H MET 1 5.578 -0.895 -2.793 2 HA MET 1 HA MET 1 4.033 -1.750 -0.522 3 HB2 MET 1 HB2 MET 1 2.086 -0.297 -1.028 4 HB3 MET 1 HB3 MET 1 3.482 0.602 -0.449 5 HG2 MET 1 HG2 MET 1 2.973 1.942 -2.176 6 HG3 MET 1 HG3 MET 1 3.921 0.765 -3.081 7 HE1 MET 1 HE1 MET 1 2.533 0.575 -5.724 8 HE2 MET 1 HE2 MET 1 1.237 1.761 -5.561 9 HE3 MET 1 HE3 MET 1 2.829 2.093 -4.875 10 H SER 2 H SER 2 2.300 -3.091 -1.086 11 HA SER 2 HA SER 2 1.304 -3.428 -3.695 12 HB2 SER 2 HB2 SER 2 3.718 -5.008 -2.977 13 HB3 SER 2 HB3 SER 2 2.423 -5.862 -3.816 14 HG SER 2 HG SER 2 4.010 -4.859 -5.211 15 H TRP 3 H TRP 3 -0.234 -5.148 -3.852 16 HA TRP 3 HA TRP 3 -1.672 -5.612 -1.487 17 HB2 TRP 3 HB2 TRP 3 -2.816 -5.639 -3.601 18 HB3 TRP 3 HB3 TRP 3 -1.809 -6.959 -4.189 19 HD1 TRP 3 HD1 TRP 3 -3.108 -9.150 -4.234 20 HE1 TRP 3 HE1 TRP 3 -4.939 -10.253 -2.800 21 HE3 TRP 3 HE3 TRP 3 -3.738 -5.464 -0.748 22 HZ2 TRP 3 HZ2 TRP 3 -6.450 -9.641 -0.496 23 HZ3 TRP 3 HZ3 TRP 3 -5.397 -5.801 1.038 24 HH2 TRP 3 HH2 TRP 3 -6.724 -7.846 1.159 25 H LEU 4 H LEU 4 -0.085 -8.079 -3.524 26 HA LEU 4 HA LEU 4 -0.247 -10.188 -1.753 27 HB2 LEU 4 HB2 LEU 4 2.038 -9.641 -3.640 28 HB3 LEU 4 HB3 LEU 4 1.574 -11.207 -2.978 29 HG LEU 4 HG LEU 4 -0.265 -9.614 -4.744 30 HD11 LEU 4 HD11 LEU 4 0.618 -10.525 -6.660 31 HD12 LEU 4 HD12 LEU 4 1.413 -11.843 -5.799 32 HD13 LEU 4 HD13 LEU 4 2.079 -10.212 -5.723 33 HD21 LEU 4 HD21 LEU 4 -1.228 -11.843 -5.164 34 HD22 LEU 4 HD22 LEU 4 -1.303 -11.384 -3.462 35 HD23 LEU 4 HD23 LEU 4 -0.084 -12.535 -4.012 36 H ASN 5 H ASN 5 2.161 -7.621 -1.921 37 HA ASN 5 HA ASN 5 3.967 -8.711 -0.043 38 HB2 ASN 5 HB2 ASN 5 4.355 -6.784 -1.691 39 HB3 ASN 5 HB3 ASN 5 3.556 -5.760 -0.501 40 HD21 ASN 5 HD21 ASN 5 5.604 -4.628 -0.483 41 HD22 ASN 5 HD22 ASN 5 6.883 -5.214 0.520 42 H PHE 6 H PHE 6 1.366 -6.309 0.308 43 HA PHE 6 HA PHE 6 1.645 -5.761 3.006 44 HB2 PHE 6 HB2 PHE 6 0.134 -4.478 1.620 45 HB3 PHE 6 HB3 PHE 6 -0.870 -5.895 1.334 46 HD1 PHE 6 HD1 PHE 6 -2.362 -6.732 3.051 47 HD2 PHE 6 HD2 PHE 6 0.030 -3.272 3.702 48 HE1 PHE 6 HE1 PHE 6 -3.737 -6.154 5.008 49 HE2 PHE 6 HE2 PHE 6 -1.341 -2.688 5.660 50 HZ PHE 6 HZ PHE 6 -3.227 -4.130 6.316 51 H LEU 7 H LEU 7 -0.468 -8.212 1.513 52 HA LEU 7 HA LEU 7 -1.463 -9.321 3.865 53 HB2 LEU 7 HB2 LEU 7 -0.935 -10.612 1.194 54 HB3 LEU 7 HB3 LEU 7 -1.859 -11.364 2.493 55 HG LEU 7 HG LEU 7 -2.604 -8.859 0.984 56 HD11 LEU 7 HD11 LEU 7 -3.194 -11.701 0.637 57 HD12 LEU 7 HD12 LEU 7 -3.344 -10.361 -0.499 58 HD13 LEU 7 HD13 LEU 7 -4.622 -10.667 0.677 59 HD21 LEU 7 HD21 LEU 7 -4.073 -10.319 3.178 60 HD22 LEU 7 HD22 LEU 7 -4.690 -8.951 2.251 61 HD23 LEU 7 HD23 LEU 7 -3.303 -8.738 3.320 62 H LYS 8 H LYS 8 1.419 -10.197 1.992 63 HA LYS 8 HA LYS 8 2.187 -12.380 3.611 64 HB2 LYS 8 HB2 LYS 8 3.023 -11.440 1.229 65 HB3 LYS 8 HB3 LYS 8 4.306 -10.811 2.255 66 HG2 LYS 8 HG2 LYS 8 3.565 -13.662 2.583 67 HG3 LYS 8 HG3 LYS 8 4.438 -13.200 1.120 68 HD2 LYS 8 HD2 LYS 8 6.045 -11.984 2.732 69 HD3 LYS 8 HD3 LYS 8 5.304 -12.984 3.984 70 HE2 LYS 8 HE2 LYS 8 7.277 -14.094 3.206 71 HE3 LYS 8 HE3 LYS 8 5.874 -14.991 2.625 72 HZ1 LYS 8 HZ1 LYS 8 6.966 -12.933 0.866 73 HZ2 LYS 8 HZ2 LYS 8 6.290 -14.435 0.483 74 HZ3 LYS 8 HZ3 LYS 8 7.879 -14.345 1.054 75 H TYR 9 H TYR 9 2.559 -8.953 3.945 76 HA TYR 9 HA TYR 9 4.692 -9.068 5.861 77 HB2 TYR 9 HB2 TYR 9 4.495 -7.066 4.565 78 HB3 TYR 9 HB3 TYR 9 2.807 -6.863 5.021 79 HD1 TYR 9 HD1 TYR 9 6.078 -7.292 6.794 80 HD2 TYR 9 HD2 TYR 9 2.409 -5.157 6.509 81 HE1 TYR 9 HE1 TYR 9 6.766 -5.870 8.680 82 HE2 TYR 9 HE2 TYR 9 3.086 -3.729 8.393 83 HH TYR 9 HH TYR 9 4.995 -4.278 10.522 84 H ILE 10 H ILE 10 1.209 -8.349 6.069 85 HA ILE 10 HA ILE 10 1.202 -8.281 8.923 86 HB ILE 10 HB ILE 10 -1.264 -8.276 8.712 87 HG12 ILE 10 HG12 ILE 10 -1.016 -8.113 5.741 88 HG13 ILE 10 HG13 ILE 10 -1.006 -9.706 6.491 89 HG21 ILE 10 HG21 ILE 10 0.547 -6.368 7.409 90 HG22 ILE 10 HG22 ILE 10 -1.149 -6.218 6.951 91 HG23 ILE 10 HG23 ILE 10 -0.681 -6.107 8.647 92 HD11 ILE 10 HD11 ILE 10 -3.236 -8.787 5.685 93 HD12 ILE 10 HD12 ILE 10 -3.173 -9.451 7.318 94 HD13 ILE 10 HD13 ILE 10 -3.156 -7.704 7.075 95 H ALA 11 H ALA 11 1.055 -10.783 6.591 96 HA ALA 11 HA ALA 11 -0.481 -12.739 7.786 97 HB1 ALA 11 HB1 ALA 11 1.222 -14.344 6.708 98 HB2 ALA 11 HB2 ALA 11 0.313 -13.252 5.662 99 HB3 ALA 11 HB3 ALA 11 1.983 -12.878 6.089 100 H LYS 12 H LYS 12 2.685 -11.579 8.678 101 HA LYS 12 HA LYS 12 3.545 -13.699 10.288 102 HB2 LYS 12 HB2 LYS 12 5.083 -12.146 11.276 103 HB3 LYS 12 HB3 LYS 12 4.932 -11.745 9.570 104 HG2 LYS 12 HG2 LYS 12 4.696 -9.653 10.332 105 HG3 LYS 12 HG3 LYS 12 3.027 -10.145 10.627 106 HD2 LYS 12 HD2 LYS 12 3.304 -10.208 12.876 107 HD3 LYS 12 HD3 LYS 12 4.973 -10.771 12.761 108 HE2 LYS 12 HE2 LYS 12 5.727 -8.545 12.208 109 HE3 LYS 12 HE3 LYS 12 4.065 -7.958 12.159 110 HZ1 LYS 12 HZ1 LYS 12 4.820 -7.320 14.240 111 HZ2 LYS 12 HZ2 LYS 12 5.667 -8.760 14.503 112 HZ3 LYS 12 HZ3 LYS 12 3.977 -8.749 14.576 113 H TYR 13 H TYR 13 1.311 -11.076 10.920 114 HA TYR 13 HA TYR 13 1.188 -11.311 13.723 115 HB2 TYR 13 HB2 TYR 13 -0.904 -10.358 11.757 116 HB3 TYR 13 HB3 TYR 13 -1.004 -10.151 13.502 117 HD1 TYR 13 HD2 TYR 13 1.273 -9.070 14.516 118 HD2 TYR 13 HD1 TYR 13 -0.205 -8.520 10.564 119 HE1 TYR 13 HE2 TYR 13 2.533 -6.965 14.344 120 HE2 TYR 13 HE1 TYR 13 1.052 -6.414 10.381 121 HH TYR 13 HH TYR 13 3.160 -5.298 13.007 122 H GLY 14 H GLY 14 -0.292 -13.129 11.142 123 HA2 GLY 14 HA2 GLY 14 -0.797 -15.476 12.098 124 HA3 GLY 14 HA3 GLY 14 -1.952 -14.590 13.083 125 H LYS 15 H LYS 15 -3.728 -15.678 12.237 126 HA LYS 15 HA LYS 15 -4.306 -15.142 9.398 127 HB2 LYS 15 HB2 LYS 15 -5.747 -17.082 9.406 128 HB3 LYS 15 HB3 LYS 15 -4.160 -17.541 10.008 129 HG2 LYS 15 HG2 LYS 15 -4.952 -17.586 12.262 130 HG3 LYS 15 HG3 LYS 15 -6.505 -16.898 11.781 131 HD2 LYS 15 HD2 LYS 15 -5.614 -19.438 10.506 132 HD3 LYS 15 HD3 LYS 15 -6.212 -19.492 12.166 133 HE2 LYS 15 HE2 LYS 15 -8.295 -18.456 11.474 134 HE3 LYS 15 HE3 LYS 15 -7.694 -18.301 9.824 135 HZ1 LYS 15 HZ1 LYS 15 -8.640 -20.266 9.473 136 HZ2 LYS 15 HZ2 LYS 15 -8.871 -20.560 11.123 137 HZ3 LYS 15 HZ3 LYS 15 -7.395 -20.948 10.393 138 H LYS 16 H LYS 16 -4.756 -13.399 11.772 139 HA LYS 16 HA LYS 16 -7.689 -13.269 11.792 140 HB2 LYS 16 HB2 LYS 16 -5.702 -11.828 13.559 141 HB3 LYS 16 HB3 LYS 16 -7.452 -11.810 13.737 142 HG2 LYS 16 HG2 LYS 16 -5.836 -14.337 13.885 143 HG3 LYS 16 HG3 LYS 16 -6.174 -13.330 15.294 144 HD2 LYS 16 HD2 LYS 16 -8.526 -13.662 15.060 145 HD3 LYS 16 HD3 LYS 16 -8.318 -14.437 13.488 146 HE2 LYS 16 HE2 LYS 16 -7.031 -16.242 14.631 147 HE3 LYS 16 HE3 LYS 16 -7.446 -15.496 16.173 148 HZ1 LYS 16 HZ1 LYS 16 -9.001 -17.213 15.784 149 HZ2 LYS 16 HZ2 LYS 16 -9.296 -16.704 14.198 150 HZ3 LYS 16 HZ3 LYS 16 -9.824 -15.762 15.501 151 H ALA 17 H ALA 17 -4.801 -11.467 10.957 152 HA ALA 17 HA ALA 17 -6.290 -9.087 10.247 153 HB1 ALA 17 HB1 ALA 17 -4.148 -8.678 11.160 154 HB2 ALA 17 HB2 ALA 17 -3.379 -9.820 10.056 155 HB3 ALA 17 HB3 ALA 17 -4.030 -8.301 9.441 156 H VAL 18 H VAL 18 -4.947 -11.894 8.673 157 HA VAL 18 HA VAL 18 -4.891 -10.969 6.026 158 HB VAL 18 HB VAL 18 -3.845 -13.081 6.728 159 HG11 VAL 18 HG11 VAL 18 -6.607 -14.274 6.768 160 HG12 VAL 18 HG12 VAL 18 -5.085 -15.035 7.235 161 HG13 VAL 18 HG13 VAL 18 -5.767 -13.744 8.225 162 HG21 VAL 18 HG21 VAL 18 -5.877 -13.196 4.514 163 HG22 VAL 18 HG22 VAL 18 -4.150 -12.856 4.398 164 HG23 VAL 18 HG23 VAL 18 -4.703 -14.482 4.795 165 H SER 19 H SER 19 -7.505 -12.197 8.012 166 HA SER 19 HA SER 19 -9.370 -12.507 5.871 167 HB2 SER 19 HB2 SER 19 -9.534 -13.708 8.061 168 HB3 SER 19 HB3 SER 19 -9.959 -12.174 8.822 169 HG SER 19 HG SER 19 -11.401 -13.210 6.621 170 H ALA 20 H ALA 20 -9.110 -10.111 8.501 171 HA ALA 20 HA ALA 20 -11.142 -8.409 7.734 172 HB1 ALA 20 HB1 ALA 20 -9.528 -6.606 8.768 173 HB2 ALA 20 HB2 ALA 20 -10.270 -7.850 9.775 174 HB3 ALA 20 HB3 ALA 20 -8.600 -8.031 9.237 175 H ALA 21 H ALA 21 -7.935 -8.755 6.389 176 HA ALA 21 HA ALA 21 -7.945 -6.338 4.882 177 HB1 ALA 21 HB1 ALA 21 -6.346 -8.785 4.193 178 HB2 ALA 21 HB2 ALA 21 -5.943 -7.090 3.916 179 HB3 ALA 21 HB3 ALA 21 -5.927 -7.743 5.554 180 H TRP 22 H TRP 22 -8.928 -9.656 4.230 181 HA TRP 22 HA TRP 22 -9.373 -9.276 1.442 182 HB2 TRP 22 HB2 TRP 22 -9.978 -11.402 3.438 183 HB3 TRP 22 HB3 TRP 22 -10.906 -11.402 1.941 184 HD1 TRP 22 HD1 TRP 22 -7.830 -12.776 3.333 185 HE1 TRP 22 HE1 TRP 22 -6.248 -13.598 1.476 186 HE3 TRP 22 HE3 TRP 22 -10.054 -10.524 -0.682 187 HZ2 TRP 22 HZ2 TRP 22 -5.979 -13.326 -1.321 188 HZ3 TRP 22 HZ3 TRP 22 -9.071 -10.855 -2.913 189 HH2 TRP 22 HH2 TRP 22 -7.076 -12.227 -3.224 190 H LYS 23 H LYS 23 -11.554 -9.424 4.250 191 HA LYS 23 HA LYS 23 -13.957 -9.018 2.910 192 HB2 LYS 23 HB2 LYS 23 -13.381 -9.497 5.449 193 HB3 LYS 23 HB3 LYS 23 -13.546 -7.751 5.582 194 HG2 LYS 23 HG2 LYS 23 -15.806 -8.070 4.418 195 HG3 LYS 23 HG3 LYS 23 -15.613 -9.778 4.817 196 HD2 LYS 23 HD2 LYS 23 -15.537 -7.508 6.805 197 HD3 LYS 23 HD3 LYS 23 -16.929 -8.550 6.506 198 HE2 LYS 23 HE2 LYS 23 -15.465 -10.501 7.110 199 HE3 LYS 23 HE3 LYS 23 -14.243 -9.337 7.621 200 HZ1 LYS 23 HZ1 LYS 23 -16.960 -9.698 8.757 201 HZ2 LYS 23 HZ2 LYS 23 -15.941 -8.409 9.157 202 HZ3 LYS 23 HZ3 LYS 23 -15.481 -9.995 9.524 203 H TYR 24 H TYR 24 -11.795 -6.602 4.379 204 HA TYR 24 HA TYR 24 -13.309 -4.475 3.056 205 HB2 TYR 24 HB2 TYR 24 -11.014 -4.138 4.987 206 HB3 TYR 24 HB3 TYR 24 -12.224 -2.944 4.529 207 HD1 TYR 24 HD1 TYR 24 -14.727 -4.427 4.800 208 HD2 TYR 24 HD2 TYR 24 -11.264 -4.467 7.272 209 HE1 TYR 24 HE1 TYR 24 -16.113 -5.090 6.721 210 HE2 TYR 24 HE2 TYR 24 -12.640 -5.131 9.199 211 HH TYR 24 HH TYR 24 -15.298 -4.787 9.768 212 H LYS 25 H LYS 25 -11.574 -6.312 1.580 213 HA LYS 25 HA LYS 25 -9.087 -5.313 0.923 214 HB2 LYS 25 HB2 LYS 25 -10.037 -7.451 0.093 215 HB3 LYS 25 HB3 LYS 25 -11.080 -6.541 -0.991 216 HG2 LYS 25 HG2 LYS 25 -9.189 -5.716 -2.213 217 HG3 LYS 25 HG3 LYS 25 -8.072 -6.440 -1.053 218 HD2 LYS 25 HD2 LYS 25 -8.127 -7.888 -2.931 219 HD3 LYS 25 HD3 LYS 25 -9.074 -8.675 -1.666 220 HE2 LYS 25 HE2 LYS 25 -11.122 -8.049 -2.700 221 HE3 LYS 25 HE3 LYS 25 -10.299 -6.970 -3.825 222 HZ1 LYS 25 HZ1 LYS 25 -9.122 -9.368 -4.283 223 HZ2 LYS 25 HZ2 LYS 25 -10.359 -8.691 -5.216 224 HZ3 LYS 25 HZ3 LYS 25 -10.732 -9.802 -3.996 225 H GLY 26 H GLY 26 -12.240 -4.411 -0.445 226 HA2 GLY 26 HA2 GLY 26 -11.377 -2.646 -2.409 227 HA3 GLY 26 HA3 GLY 26 -12.910 -2.520 -1.560 228 H LYS 27 H LYS 27 -11.432 -2.234 1.037 229 HA LYS 27 HA LYS 27 -10.968 0.643 0.796 230 HB2 LYS 27 HB2 LYS 27 -11.129 -0.958 3.346 231 HB3 LYS 27 HB3 LYS 27 -11.333 0.777 3.146 232 HG2 LYS 27 HG2 LYS 27 -13.328 0.006 1.597 233 HG3 LYS 27 HG3 LYS 27 -13.237 -1.434 2.614 234 HD2 LYS 27 HD2 LYS 27 -13.836 -0.291 4.519 235 HD3 LYS 27 HD3 LYS 27 -13.234 1.253 3.909 236 HE2 LYS 27 HE2 LYS 27 -15.144 1.024 2.172 237 HE3 LYS 27 HE3 LYS 27 -15.811 -0.149 3.307 238 HZ1 LYS 27 HZ1 LYS 27 -15.701 2.721 3.488 239 HZ2 LYS 27 HZ2 LYS 27 -15.200 1.940 4.901 240 HZ3 LYS 27 HZ3 LYS 27 -16.734 1.628 4.261 241 H VAL 28 H VAL 28 -9.332 -2.334 1.585 242 HA VAL 28 HA VAL 28 -7.030 -1.182 2.784 243 HB VAL 28 HB VAL 28 -7.200 -3.832 1.348 244 HG11 VAL 28 HG11 VAL 28 -5.295 -4.474 2.563 245 HG12 VAL 28 HG12 VAL 28 -4.937 -2.845 1.985 246 HG13 VAL 28 HG13 VAL 28 -5.428 -3.100 3.660 247 HG21 VAL 28 HG21 VAL 28 -8.467 -2.930 3.784 248 HG22 VAL 28 HG22 VAL 28 -8.668 -4.446 2.907 249 HG23 VAL 28 HG23 VAL 28 -7.370 -4.277 4.087 250 H LEU 29 H LEU 29 -7.584 -2.504 -0.482 251 HA LEU 29 HA LEU 29 -5.119 -1.938 -1.590 252 HB2 LEU 29 HB2 LEU 29 -7.872 -2.215 -2.675 253 HB3 LEU 29 HB3 LEU 29 -6.624 -1.569 -3.738 254 HG LEU 29 HG LEU 29 -6.965 -3.982 -4.043 255 HD11 LEU 29 HD11 LEU 29 -4.418 -2.743 -3.285 256 HD12 LEU 29 HD12 LEU 29 -4.856 -3.655 -4.729 257 HD13 LEU 29 HD13 LEU 29 -4.425 -4.506 -3.246 258 HD21 LEU 29 HD21 LEU 29 -6.479 -5.567 -2.351 259 HD22 LEU 29 HD22 LEU 29 -7.578 -4.390 -1.632 260 HD23 LEU 29 HD23 LEU 29 -5.853 -4.325 -1.267 261 H GLU 30 H GLU 30 -7.764 0.213 -0.881 262 HA GLU 30 HA GLU 30 -6.839 2.387 -2.488 263 HB2 GLU 30 HB2 GLU 30 -8.899 2.059 -0.341 264 HB3 GLU 30 HB3 GLU 30 -8.411 3.677 -0.828 265 HG2 GLU 30 HG2 GLU 30 -9.163 1.753 -2.956 266 HG3 GLU 30 HG3 GLU 30 -10.445 2.428 -1.951 267 H TRP 31 H TRP 31 -6.367 1.361 0.835 268 HA TRP 31 HA TRP 31 -5.047 3.768 1.655 269 HB2 TRP 31 HB2 TRP 31 -5.317 1.030 2.889 270 HB3 TRP 31 HB3 TRP 31 -4.357 2.305 3.635 271 HD1 TRP 31 HD1 TRP 31 -6.374 4.735 3.058 272 HE1 TRP 31 HE1 TRP 31 -8.556 4.886 4.415 273 HE3 TRP 31 HE3 TRP 31 -6.740 -0.140 4.552 274 HZ2 TRP 31 HZ2 TRP 31 -10.213 3.166 5.920 275 HZ3 TRP 31 HZ3 TRP 31 -8.653 -0.805 5.949 276 HH2 TRP 31 HH2 TRP 31 -10.353 0.815 6.618 277 H LEU 32 H LEU 32 -4.096 0.852 0.075 278 HA LEU 32 HA LEU 32 -1.297 1.086 0.714 279 HB2 LEU 32 HB2 LEU 32 -2.620 -0.568 -1.429 280 HB3 LEU 32 HB3 LEU 32 -0.985 -0.768 -0.801 281 HG LEU 32 HG LEU 32 -3.326 -1.053 1.038 282 HD11 LEU 32 HD11 LEU 32 -3.202 -2.530 -1.269 283 HD12 LEU 32 HD12 LEU 32 -4.008 -3.015 0.223 284 HD13 LEU 32 HD13 LEU 32 -2.361 -3.554 -0.105 285 HD21 LEU 32 HD21 LEU 32 -0.481 -1.448 1.130 286 HD22 LEU 32 HD22 LEU 32 -1.322 -2.955 1.495 287 HD23 LEU 32 HD23 LEU 32 -1.663 -1.504 2.438 288 H ASN 33 H ASN 33 -3.429 2.410 -1.615 289 HA ASN 33 HA ASN 33 -1.248 3.108 -3.434 290 HB2 ASN 33 HB2 ASN 33 -3.200 2.296 -4.557 291 HB3 ASN 33 HB3 ASN 33 -4.248 3.383 -3.650 292 HD21 ASN 33 HD21 ASN 33 -4.867 5.135 -4.673 293 HD22 ASN 33 HD22 ASN 33 -4.046 5.891 -5.991 294 H VAL 34 H VAL 34 -3.503 4.535 -1.166 295 HA VAL 34 HA VAL 34 -2.603 7.233 -1.805 296 HB VAL 34 HB VAL 34 -4.285 8.012 -0.255 297 HG11 VAL 34 HG11 VAL 34 -5.930 7.714 -1.736 298 HG12 VAL 34 HG12 VAL 34 -4.797 6.681 -2.609 299 HG13 VAL 34 HG13 VAL 34 -5.954 5.969 -1.484 300 HG21 VAL 34 HG21 VAL 34 -4.626 6.746 1.558 301 HG22 VAL 34 HG22 VAL 34 -5.765 5.848 0.555 302 HG23 VAL 34 HG23 VAL 34 -4.108 5.273 0.737 303 H GLY 35 H GLY 35 -2.115 4.742 0.563 304 HA2 GLY 35 HA2 GLY 35 -0.949 6.480 2.544 305 HA3 GLY 35 HA3 GLY 35 -0.960 4.723 2.571 306 HA PRO 36 HA PRO 36 3.256 6.563 1.323 307 HB2 PRO 36 HB2 PRO 36 4.567 6.202 3.673 308 HB3 PRO 36 HB3 PRO 36 3.708 7.694 3.271 309 HG2 PRO 36 HG2 PRO 36 2.817 5.394 4.968 310 HG3 PRO 36 HG3 PRO 36 2.639 7.134 5.259 311 HD2 PRO 36 HD2 PRO 36 0.619 5.602 4.309 312 HD3 PRO 36 HD3 PRO 36 0.814 7.309 3.862 313 H THR 37 H THR 37 2.712 3.943 3.685 314 HA THR 37 HA THR 37 4.006 2.067 1.862 315 HB THR 37 HB THR 37 5.549 1.201 3.450 316 HG1 THR 37 HG1 THR 37 5.630 2.142 5.601 317 HG21 THR 37 HG21 THR 37 6.071 3.438 2.299 318 HG22 THR 37 HG22 THR 37 7.072 2.970 3.674 319 HG23 THR 37 HG23 THR 37 5.792 4.165 3.881 320 H LEU 38 H LEU 38 4.090 -0.168 3.354 321 HA LEU 38 HA LEU 38 1.332 -0.879 3.563 322 HB2 LEU 38 HB2 LEU 38 3.794 -2.430 4.353 323 HB3 LEU 38 HB3 LEU 38 2.168 -3.090 4.192 324 HG LEU 38 HG LEU 38 3.905 -2.018 1.971 325 HD11 LEU 38 HD11 LEU 38 4.744 -4.097 2.182 326 HD12 LEU 38 HD12 LEU 38 3.284 -4.549 1.303 327 HD13 LEU 38 HD13 LEU 38 3.336 -4.695 3.059 328 HD21 LEU 38 HD21 LEU 38 1.684 -3.403 0.956 329 HD22 LEU 38 HD22 LEU 38 2.042 -1.681 0.813 330 HD23 LEU 38 HD23 LEU 38 1.055 -2.269 2.152 331 H GLU 39 H GLU 39 3.947 -0.338 5.879 332 HA GLU 39 HA GLU 39 2.755 -1.216 8.207 333 HB2 GLU 39 HB2 GLU 39 5.108 -0.173 7.766 334 HB3 GLU 39 HB3 GLU 39 4.321 1.340 8.192 335 HG2 GLU 39 HG2 GLU 39 3.905 0.650 10.377 336 HG3 GLU 39 HG3 GLU 39 4.155 -1.050 9.985 337 H TRP 40 H TRP 40 2.141 1.696 6.378 338 HA TRP 40 HA TRP 40 0.641 3.034 8.397 339 HB2 TRP 40 HB2 TRP 40 1.724 4.147 6.422 340 HB3 TRP 40 HB3 TRP 40 0.469 3.442 5.407 341 HD1 TRP 40 HD1 TRP 40 0.795 5.898 8.382 342 HE1 TRP 40 HE1 TRP 40 -1.152 7.576 8.244 343 HE3 TRP 40 HE3 TRP 40 -1.726 3.891 4.414 344 HZ2 TRP 40 HZ2 TRP 40 -3.452 7.993 6.663 345 HZ3 TRP 40 HZ3 TRP 40 -3.792 4.990 3.651 346 HH2 TRP 40 HH2 TRP 40 -4.635 6.998 4.754 347 H VAL 41 H VAL 41 -0.323 1.257 5.461 348 HA VAL 41 HA VAL 41 -3.085 1.429 5.833 349 HB VAL 41 HB VAL 41 -1.593 -0.857 4.540 350 HG11 VAL 41 HG11 VAL 41 -3.817 -1.536 4.765 351 HG12 VAL 41 HG12 VAL 41 -4.440 0.083 4.440 352 HG13 VAL 41 HG13 VAL 41 -3.737 -0.871 3.134 353 HG21 VAL 41 HG21 VAL 41 -2.223 1.903 3.619 354 HG22 VAL 41 HG22 VAL 41 -0.790 0.918 3.330 355 HG23 VAL 41 HG23 VAL 41 -2.280 0.585 2.449 356 H TRP 42 H TRP 42 -0.720 -0.806 7.152 357 HA TRP 42 HA TRP 42 -2.417 -2.788 8.124 358 HB2 TRP 42 HB2 TRP 42 -0.085 -3.209 8.188 359 HB3 TRP 42 HB3 TRP 42 0.232 -1.745 9.116 360 HD1 TRP 42 HD1 TRP 42 1.152 -2.590 11.360 361 HE1 TRP 42 HE1 TRP 42 0.372 -4.272 13.145 362 HE3 TRP 42 HE3 TRP 42 -2.883 -4.556 8.914 363 HZ2 TRP 42 HZ2 TRP 42 -1.683 -6.179 13.473 364 HZ3 TRP 42 HZ3 TRP 42 -4.203 -6.306 10.033 365 HH2 TRP 42 HH2 TRP 42 -3.613 -7.100 12.265 366 H GLN 43 H GLN 43 -1.056 -0.064 9.990 367 HA GLN 43 HA GLN 43 -2.589 -0.434 12.282 368 HB2 GLN 43 HB2 GLN 43 -1.622 2.220 11.211 369 HB3 GLN 43 HB3 GLN 43 -1.993 1.829 12.885 370 HG2 GLN 43 HG2 GLN 43 -0.096 -0.053 12.120 371 HG3 GLN 43 HG3 GLN 43 0.450 1.463 11.405 372 HE21 GLN 43 HE21 GLN 43 0.780 -0.419 14.013 373 HE22 GLN 43 HE22 GLN 43 1.168 0.765 15.209 374 H LYS 44 H LYS 44 -3.198 1.753 9.538 375 HA LYS 44 HA LYS 44 -5.576 2.871 10.394 376 HB2 LYS 44 HB2 LYS 44 -4.443 2.278 7.687 377 HB3 LYS 44 HB3 LYS 44 -6.086 2.891 7.818 378 HG2 LYS 44 HG2 LYS 44 -3.689 4.258 9.017 379 HG3 LYS 44 HG3 LYS 44 -4.349 4.632 7.423 380 HD2 LYS 44 HD2 LYS 44 -6.594 4.840 8.835 381 HD3 LYS 44 HD3 LYS 44 -5.443 5.207 10.122 382 HE2 LYS 44 HE2 LYS 44 -5.271 6.577 7.462 383 HE3 LYS 44 HE3 LYS 44 -6.390 7.145 8.700 384 HZ1 LYS 44 HZ1 LYS 44 -4.166 8.248 8.688 385 HZ2 LYS 44 HZ2 LYS 44 -3.488 6.779 9.182 386 HZ3 LYS 44 HZ3 LYS 44 -4.607 7.571 10.174 387 H LEU 45 H LEU 45 -5.170 -0.043 8.382 388 HA LEU 45 HA LEU 45 -7.889 -0.701 8.218 389 HB2 LEU 45 HB2 LEU 45 -6.474 -1.762 6.694 390 HB3 LEU 45 HB3 LEU 45 -5.359 -2.283 7.956 391 HG LEU 45 HG LEU 45 -7.106 -3.882 8.742 392 HD11 LEU 45 HD11 LEU 45 -8.837 -2.405 7.273 393 HD12 LEU 45 HD12 LEU 45 -9.139 -4.057 7.809 394 HD13 LEU 45 HD13 LEU 45 -8.534 -3.756 6.180 395 HD21 LEU 45 HD21 LEU 45 -6.815 -4.760 5.996 396 HD22 LEU 45 HD22 LEU 45 -6.115 -5.421 7.475 397 HD23 LEU 45 HD23 LEU 45 -5.315 -4.090 6.639 398 H LYS 46 H LYS 46 -5.458 -1.418 10.644 399 HA LYS 46 HA LYS 46 -6.698 -3.432 12.076 400 HB2 LYS 46 HB2 LYS 46 -4.404 -2.199 12.414 401 HB3 LYS 46 HB3 LYS 46 -5.326 -1.206 13.535 402 HG2 LYS 46 HG2 LYS 46 -5.812 -3.047 14.924 403 HG3 LYS 46 HG3 LYS 46 -5.270 -4.203 13.706 404 HD2 LYS 46 HD2 LYS 46 -3.013 -2.795 13.992 405 HD3 LYS 46 HD3 LYS 46 -3.699 -2.554 15.601 406 HE2 LYS 46 HE2 LYS 46 -3.798 -5.314 14.585 407 HE3 LYS 46 HE3 LYS 46 -2.181 -4.681 14.885 408 HZ1 LYS 46 HZ1 LYS 46 -4.351 -5.210 16.778 409 HZ2 LYS 46 HZ2 LYS 46 -3.298 -3.931 17.117 410 HZ3 LYS 46 HZ3 LYS 46 -2.691 -5.499 16.932 411 H LYS 47 H LYS 47 -7.412 -0.012 11.984 412 HA LYS 47 HA LYS 47 -9.057 0.096 14.284 413 HB2 LYS 47 HB2 LYS 47 -8.017 2.010 12.835 414 HB3 LYS 47 HB3 LYS 47 -9.503 1.866 11.905 415 HG2 LYS 47 HG2 LYS 47 -10.778 2.232 14.011 416 HG3 LYS 47 HG3 LYS 47 -9.244 2.546 14.825 417 HD2 LYS 47 HD2 LYS 47 -10.213 4.071 12.411 418 HD3 LYS 47 HD3 LYS 47 -10.467 4.597 14.077 419 HE2 LYS 47 HE2 LYS 47 -8.027 4.600 14.418 420 HE3 LYS 47 HE3 LYS 47 -7.806 4.139 12.731 421 HZ1 LYS 47 HZ1 LYS 47 -8.719 6.701 13.849 422 HZ2 LYS 47 HZ2 LYS 47 -9.211 6.253 12.294 423 HZ3 LYS 47 HZ3 LYS 47 -7.564 6.407 12.648 424 H ILE 48 H ILE 48 -9.991 0.093 10.837 425 HA ILE 48 HA ILE 48 -12.727 -0.304 11.271 426 HB ILE 48 HB ILE 48 -11.906 0.450 9.121 427 HG12 ILE 48 HG12 ILE 48 -13.136 -2.277 8.715 428 HG13 ILE 48 HG13 ILE 48 -14.049 -0.899 9.319 429 HG21 ILE 48 HG21 ILE 48 -10.823 -1.232 7.584 430 HG22 ILE 48 HG22 ILE 48 -9.824 -0.655 8.917 431 HG23 ILE 48 HG23 ILE 48 -10.578 -2.246 9.006 432 HD11 ILE 48 HD11 ILE 48 -13.936 -1.563 6.742 433 HD12 ILE 48 HD12 ILE 48 -14.128 0.100 7.298 434 HD13 ILE 48 HD13 ILE 48 -12.538 -0.491 6.817 435 H ALA 49 H ALA 49 -10.065 -2.534 11.256 436 HA ALA 49 HA ALA 49 -11.596 -4.911 10.891 437 HB1 ALA 49 HB1 ALA 49 -8.850 -4.512 12.072 438 HB2 ALA 49 HB2 ALA 49 -9.561 -6.072 11.653 439 HB3 ALA 49 HB3 ALA 49 -9.229 -4.887 10.390 440 H GLY 50 H GLY 50 -10.239 -3.286 13.753 441 HA2 GLY 50 HA2 GLY 50 -11.245 -3.190 15.871 442 HA3 GLY 50 HA3 GLY 50 -12.358 -4.457 15.376 443 H LEU 51 H LEU 51 -8.898 -4.724 14.953 444 HA LEU 51 HA LEU 51 -8.843 -7.175 16.429 445 HB2 LEU 51 HB2 LEU 51 -6.413 -5.654 15.556 446 HB3 LEU 51 HB3 LEU 51 -6.625 -7.396 15.722 447 HG LEU 51 HG LEU 51 -7.899 -5.690 13.583 448 HD11 LEU 51 HD11 LEU 51 -5.960 -7.687 12.753 449 HD12 LEU 51 HD12 LEU 51 -5.252 -6.432 13.770 450 HD13 LEU 51 HD13 LEU 51 -6.109 -5.990 12.294 451 HD21 LEU 51 HD21 LEU 51 -8.050 -8.572 14.318 452 HD22 LEU 51 HD22 LEU 51 -8.092 -8.128 12.611 453 HD23 LEU 51 HD23 LEU 51 -9.308 -7.490 13.719 Start of MODEL 14 1 H1 MET 1 H MET 1 6.047 -1.678 -2.672 2 HA MET 1 HA MET 1 4.664 -2.919 -0.396 3 HB2 MET 1 HB2 MET 1 4.468 -0.018 -1.224 4 HB3 MET 1 HB3 MET 1 3.421 -0.794 -0.044 5 HG2 MET 1 HG2 MET 1 4.930 0.149 1.358 6 HG3 MET 1 HG3 MET 1 5.720 -1.402 1.086 7 HE1 MET 1 HE1 MET 1 7.403 -0.143 2.264 8 HE2 MET 1 HE2 MET 1 8.828 -0.208 1.227 9 HE3 MET 1 HE3 MET 1 8.179 1.351 1.737 10 H SER 2 H SER 2 3.028 -4.092 -1.122 11 HA SER 2 HA SER 2 1.204 -3.038 -3.097 12 HB2 SER 2 HB2 SER 2 2.484 -5.695 -3.721 13 HB3 SER 2 HB3 SER 2 1.488 -4.685 -4.769 14 HG SER 2 HG SER 2 4.141 -4.678 -4.486 15 H TRP 3 H TRP 3 -0.383 -5.034 -3.679 16 HA TRP 3 HA TRP 3 -1.755 -5.596 -1.292 17 HB2 TRP 3 HB2 TRP 3 -2.972 -5.495 -3.361 18 HB3 TRP 3 HB3 TRP 3 -2.001 -6.791 -4.056 19 HD1 TRP 3 HD1 TRP 3 -3.276 -8.995 -4.139 20 HE1 TRP 3 HE1 TRP 3 -5.090 -10.144 -2.721 21 HE3 TRP 3 HE3 TRP 3 -3.865 -5.425 -0.527 22 HZ2 TRP 3 HZ2 TRP 3 -6.575 -9.608 -0.381 23 HZ3 TRP 3 HZ3 TRP 3 -5.503 -5.821 1.266 24 HH2 TRP 3 HH2 TRP 3 -6.830 -7.869 1.335 25 H LEU 4 H LEU 4 -0.283 -7.974 -3.511 26 HA LEU 4 HA LEU 4 -0.412 -10.169 -1.843 27 HB2 LEU 4 HB2 LEU 4 1.770 -9.532 -3.823 28 HB3 LEU 4 HB3 LEU 4 1.392 -11.128 -3.179 29 HG LEU 4 HG LEU 4 -0.708 -9.618 -4.673 30 HD11 LEU 4 HD11 LEU 4 1.826 -10.246 -5.772 31 HD12 LEU 4 HD12 LEU 4 0.391 -9.635 -6.595 32 HD13 LEU 4 HD13 LEU 4 0.649 -11.373 -6.446 33 HD21 LEU 4 HD21 LEU 4 -0.840 -12.219 -5.407 34 HD22 LEU 4 HD22 LEU 4 -1.705 -11.529 -4.033 35 HD23 LEU 4 HD23 LEU 4 -0.173 -12.367 -3.781 36 H ASN 5 H ASN 5 1.847 -7.513 -1.815 37 HA ASN 5 HA ASN 5 3.752 -8.774 -0.089 38 HB2 ASN 5 HB2 ASN 5 3.350 -6.034 -1.200 39 HB3 ASN 5 HB3 ASN 5 4.375 -6.207 0.223 40 HD21 ASN 5 HD21 ASN 5 5.989 -5.370 -1.307 41 HD22 ASN 5 HD22 ASN 5 6.838 -6.501 -2.300 42 H PHE 6 H PHE 6 1.059 -6.527 0.348 43 HA PHE 6 HA PHE 6 1.447 -5.928 3.048 44 HB2 PHE 6 HB2 PHE 6 -0.137 -4.695 1.663 45 HB3 PHE 6 HB3 PHE 6 -1.137 -6.133 1.489 46 HD1 PHE 6 HD2 PHE 6 -0.052 -3.481 3.773 47 HD2 PHE 6 HD1 PHE 6 -2.591 -6.857 3.252 48 HE1 PHE 6 HE2 PHE 6 -1.311 -2.841 5.788 49 HE2 PHE 6 HE1 PHE 6 -3.855 -6.222 5.266 50 HZ PHE 6 HZ PHE 6 -3.214 -4.213 6.537 51 H LEU 7 H LEU 7 -0.781 -8.341 1.651 52 HA LEU 7 HA LEU 7 -1.642 -9.506 3.999 53 HB2 LEU 7 HB2 LEU 7 -1.129 -10.846 1.349 54 HB3 LEU 7 HB3 LEU 7 -2.095 -11.523 2.658 55 HG LEU 7 HG LEU 7 -2.760 -8.983 1.171 56 HD11 LEU 7 HD11 LEU 7 -3.294 -11.810 0.588 57 HD12 LEU 7 HD12 LEU 7 -3.308 -10.405 -0.477 58 HD13 LEU 7 HD13 LEU 7 -4.707 -10.756 0.538 59 HD21 LEU 7 HD21 LEU 7 -3.976 -10.464 3.441 60 HD22 LEU 7 HD22 LEU 7 -5.056 -9.723 2.260 61 HD23 LEU 7 HD23 LEU 7 -3.890 -8.729 3.135 62 H LYS 8 H LYS 8 1.201 -10.348 2.050 63 HA LYS 8 HA LYS 8 2.054 -12.521 3.619 64 HB2 LYS 8 HB2 LYS 8 3.439 -10.679 1.693 65 HB3 LYS 8 HB3 LYS 8 4.353 -11.884 2.591 66 HG2 LYS 8 HG2 LYS 8 1.931 -12.736 1.082 67 HG3 LYS 8 HG3 LYS 8 3.427 -12.408 0.205 68 HD2 LYS 8 HD2 LYS 8 3.693 -14.641 0.653 69 HD3 LYS 8 HD3 LYS 8 4.469 -13.941 2.075 70 HE2 LYS 8 HE2 LYS 8 2.675 -14.449 3.458 71 HE3 LYS 8 HE3 LYS 8 1.548 -14.587 2.110 72 HZ1 LYS 8 HZ1 LYS 8 2.631 -16.676 3.359 73 HZ2 LYS 8 HZ2 LYS 8 3.742 -16.481 2.099 74 HZ3 LYS 8 HZ3 LYS 8 2.103 -16.719 1.752 75 H TYR 9 H TYR 9 2.342 -9.095 4.043 76 HA TYR 9 HA TYR 9 4.455 -9.262 5.999 77 HB2 TYR 9 HB2 TYR 9 4.370 -7.263 4.684 78 HB3 TYR 9 HB3 TYR 9 2.677 -6.997 5.087 79 HD1 TYR 9 HD1 TYR 9 5.799 -7.627 7.057 80 HD2 TYR 9 HD2 TYR 9 2.372 -5.178 6.459 81 HE1 TYR 9 HE1 TYR 9 6.480 -6.221 8.958 82 HE2 TYR 9 HE2 TYR 9 3.044 -3.764 8.357 83 HH TYR 9 HH TYR 9 4.840 -4.497 10.649 84 H ILE 10 H ILE 10 1.010 -8.348 6.099 85 HA ILE 10 HA ILE 10 0.864 -8.217 8.919 86 HB ILE 10 HB ILE 10 -1.574 -8.247 8.627 87 HG12 ILE 10 HG12 ILE 10 -1.072 -8.566 5.669 88 HG13 ILE 10 HG13 ILE 10 -1.473 -9.926 6.711 89 HG21 ILE 10 HG21 ILE 10 0.082 -6.271 7.986 90 HG22 ILE 10 HG22 ILE 10 -0.665 -6.507 6.407 91 HG23 ILE 10 HG23 ILE 10 -1.666 -6.128 7.808 92 HD11 ILE 10 HD11 ILE 10 -3.329 -8.695 5.371 93 HD12 ILE 10 HD12 ILE 10 -3.629 -9.216 7.030 94 HD13 ILE 10 HD13 ILE 10 -3.239 -7.529 6.692 95 H ALA 11 H ALA 11 0.788 -10.847 6.700 96 HA ALA 11 HA ALA 11 -0.715 -12.761 7.996 97 HB1 ALA 11 HB1 ALA 11 1.846 -13.090 6.443 98 HB2 ALA 11 HB2 ALA 11 0.806 -14.426 6.934 99 HB3 ALA 11 HB3 ALA 11 0.197 -13.197 5.826 100 H LYS 12 H LYS 12 2.434 -11.512 8.824 101 HA LYS 12 HA LYS 12 3.341 -13.527 10.530 102 HB2 LYS 12 HB2 LYS 12 4.808 -11.866 11.485 103 HB3 LYS 12 HB3 LYS 12 4.698 -11.597 9.750 104 HG2 LYS 12 HG2 LYS 12 2.837 -9.904 10.396 105 HG3 LYS 12 HG3 LYS 12 3.590 -9.969 11.991 106 HD2 LYS 12 HD2 LYS 12 5.381 -9.597 9.657 107 HD3 LYS 12 HD3 LYS 12 4.352 -8.237 10.110 108 HE2 LYS 12 HE2 LYS 12 6.185 -7.804 11.408 109 HE3 LYS 12 HE3 LYS 12 5.248 -8.798 12.521 110 HZ1 LYS 12 HZ1 LYS 12 6.706 -10.605 11.105 111 HZ2 LYS 12 HZ2 LYS 12 7.067 -10.047 12.660 112 HZ3 LYS 12 HZ3 LYS 12 7.790 -9.323 11.313 113 H TYR 13 H TYR 13 1.045 -10.931 11.057 114 HA TYR 13 HA TYR 13 0.915 -11.131 13.877 115 HB2 TYR 13 HB2 TYR 13 -1.159 -10.137 11.912 116 HB3 TYR 13 HB3 TYR 13 -1.208 -9.884 13.653 117 HD1 TYR 13 HD2 TYR 13 1.040 -8.794 14.623 118 HD2 TYR 13 HD1 TYR 13 -0.339 -8.418 10.615 119 HE1 TYR 13 HE2 TYR 13 2.366 -6.739 14.365 120 HE2 TYR 13 HE1 TYR 13 0.984 -6.362 10.346 121 HH TYR 13 HH TYR 13 2.306 -4.880 11.339 122 H GLY 14 H GLY 14 -0.420 -13.019 11.314 123 HA2 GLY 14 HA2 GLY 14 -1.056 -15.308 12.218 124 HA3 GLY 14 HA3 GLY 14 -2.177 -14.413 13.233 125 H LYS 15 H LYS 15 -3.673 -15.973 12.122 126 HA LYS 15 HA LYS 15 -4.377 -15.185 9.398 127 HB2 LYS 15 HB2 LYS 15 -5.588 -17.371 11.096 128 HB3 LYS 15 HB3 LYS 15 -5.795 -17.141 9.364 129 HG2 LYS 15 HG2 LYS 15 -3.185 -17.793 10.718 130 HG3 LYS 15 HG3 LYS 15 -4.236 -18.961 9.914 131 HD2 LYS 15 HD2 LYS 15 -3.824 -18.055 7.801 132 HD3 LYS 15 HD3 LYS 15 -3.229 -16.534 8.468 133 HE2 LYS 15 HE2 LYS 15 -1.162 -17.407 8.967 134 HE3 LYS 15 HE3 LYS 15 -1.773 -19.055 9.106 135 HZ1 LYS 15 HZ1 LYS 15 -0.423 -18.780 7.126 136 HZ2 LYS 15 HZ2 LYS 15 -1.435 -17.543 6.571 137 HZ3 LYS 15 HZ3 LYS 15 -2.025 -19.123 6.702 138 H LYS 16 H LYS 16 -4.869 -13.557 11.892 139 HA LYS 16 HA LYS 16 -7.801 -13.419 11.832 140 HB2 LYS 16 HB2 LYS 16 -5.720 -12.520 13.790 141 HB3 LYS 16 HB3 LYS 16 -7.295 -11.738 13.779 142 HG2 LYS 16 HG2 LYS 16 -8.340 -13.973 14.074 143 HG3 LYS 16 HG3 LYS 16 -6.721 -14.656 14.245 144 HD2 LYS 16 HD2 LYS 16 -7.230 -14.310 16.447 145 HD3 LYS 16 HD3 LYS 16 -6.497 -12.750 16.064 146 HE2 LYS 16 HE2 LYS 16 -9.424 -13.084 15.645 147 HE3 LYS 16 HE3 LYS 16 -8.828 -12.924 17.297 148 HZ1 LYS 16 HZ1 LYS 16 -9.311 -10.893 15.488 149 HZ2 LYS 16 HZ2 LYS 16 -7.628 -10.982 15.624 150 HZ3 LYS 16 HZ3 LYS 16 -8.577 -10.756 17.006 151 H ALA 17 H ALA 17 -4.903 -11.640 11.063 152 HA ALA 17 HA ALA 17 -6.364 -9.196 10.486 153 HB1 ALA 17 HB1 ALA 17 -4.198 -8.938 11.483 154 HB2 ALA 17 HB2 ALA 17 -3.447 -9.903 10.212 155 HB3 ALA 17 HB3 ALA 17 -4.131 -8.323 9.831 156 H VAL 18 H VAL 18 -5.160 -11.982 8.823 157 HA VAL 18 HA VAL 18 -5.031 -10.892 6.210 158 HB VAL 18 HB VAL 18 -3.934 -13.010 6.814 159 HG11 VAL 18 HG11 VAL 18 -6.728 -14.146 6.894 160 HG12 VAL 18 HG12 VAL 18 -5.225 -15.057 7.057 161 HG13 VAL 18 HG13 VAL 18 -5.686 -13.885 8.292 162 HG21 VAL 18 HG21 VAL 18 -5.943 -13.045 4.579 163 HG22 VAL 18 HG22 VAL 18 -4.218 -12.687 4.498 164 HG23 VAL 18 HG23 VAL 18 -4.763 -14.335 4.806 165 H SER 19 H SER 19 -7.616 -12.283 8.126 166 HA SER 19 HA SER 19 -9.473 -12.574 5.987 167 HB2 SER 19 HB2 SER 19 -9.745 -13.855 8.040 168 HB3 SER 19 HB3 SER 19 -9.921 -12.370 8.975 169 HG SER 19 HG SER 19 -11.901 -12.087 8.194 170 H ALA 20 H ALA 20 -9.292 -10.203 8.648 171 HA ALA 20 HA ALA 20 -11.339 -8.529 7.863 172 HB1 ALA 20 HB1 ALA 20 -9.786 -6.711 8.954 173 HB2 ALA 20 HB2 ALA 20 -10.515 -7.987 9.930 174 HB3 ALA 20 HB3 ALA 20 -8.833 -8.121 9.418 175 H ALA 21 H ALA 21 -8.071 -8.752 6.618 176 HA ALA 21 HA ALA 21 -8.091 -6.331 5.139 177 HB1 ALA 21 HB1 ALA 21 -6.463 -8.811 4.602 178 HB2 ALA 21 HB2 ALA 21 -6.115 -7.172 4.050 179 HB3 ALA 21 HB3 ALA 21 -6.036 -7.559 5.769 180 H TRP 22 H TRP 22 -8.997 -9.654 4.376 181 HA TRP 22 HA TRP 22 -9.400 -9.236 1.600 182 HB2 TRP 22 HB2 TRP 22 -10.059 -11.369 3.563 183 HB3 TRP 22 HB3 TRP 22 -10.992 -11.341 2.070 184 HD1 TRP 22 HD1 TRP 22 -7.873 -12.692 3.450 185 HE1 TRP 22 HE1 TRP 22 -6.335 -13.554 1.575 186 HE3 TRP 22 HE3 TRP 22 -10.219 -10.568 -0.565 187 HZ2 TRP 22 HZ2 TRP 22 -6.140 -13.358 -1.234 188 HZ3 TRP 22 HZ3 TRP 22 -9.293 -10.954 -2.812 189 HH2 TRP 22 HH2 TRP 22 -7.295 -12.320 -3.137 190 H LYS 23 H LYS 23 -11.672 -9.400 4.337 191 HA LYS 23 HA LYS 23 -14.023 -8.934 2.931 192 HB2 LYS 23 HB2 LYS 23 -13.543 -9.469 5.474 193 HB3 LYS 23 HB3 LYS 23 -13.670 -7.723 5.639 194 HG2 LYS 23 HG2 LYS 23 -15.896 -8.047 4.317 195 HG3 LYS 23 HG3 LYS 23 -15.757 -9.712 4.886 196 HD2 LYS 23 HD2 LYS 23 -15.311 -8.514 7.198 197 HD3 LYS 23 HD3 LYS 23 -16.205 -7.202 6.425 198 HE2 LYS 23 HE2 LYS 23 -17.947 -8.337 7.358 199 HE3 LYS 23 HE3 LYS 23 -17.854 -9.179 5.812 200 HZ1 LYS 23 HZ1 LYS 23 -17.724 -10.320 8.297 201 HZ2 LYS 23 HZ2 LYS 23 -16.122 -10.342 7.754 202 HZ3 LYS 23 HZ3 LYS 23 -17.337 -11.068 6.829 203 H TYR 24 H TYR 24 -11.859 -6.579 4.487 204 HA TYR 24 HA TYR 24 -13.315 -4.402 3.182 205 HB2 TYR 24 HB2 TYR 24 -11.041 -4.173 5.157 206 HB3 TYR 24 HB3 TYR 24 -12.174 -2.914 4.678 207 HD1 TYR 24 HD1 TYR 24 -14.749 -4.337 4.850 208 HD2 TYR 24 HD2 TYR 24 -11.381 -4.439 7.447 209 HE1 TYR 24 HE1 TYR 24 -16.221 -4.944 6.725 210 HE2 TYR 24 HE2 TYR 24 -12.843 -5.047 9.329 211 HH TYR 24 HH TYR 24 -15.002 -5.164 10.020 212 H LYS 25 H LYS 25 -11.512 -6.297 1.771 213 HA LYS 25 HA LYS 25 -9.074 -5.040 1.124 214 HB2 LYS 25 HB2 LYS 25 -9.395 -7.375 0.628 215 HB3 LYS 25 HB3 LYS 25 -10.766 -7.015 -0.413 216 HG2 LYS 25 HG2 LYS 25 -9.231 -5.805 -1.935 217 HG3 LYS 25 HG3 LYS 25 -7.881 -6.321 -0.921 218 HD2 LYS 25 HD2 LYS 25 -7.901 -7.924 -2.599 219 HD3 LYS 25 HD3 LYS 25 -8.820 -8.705 -1.310 220 HE2 LYS 25 HE2 LYS 25 -10.799 -8.539 -2.435 221 HE3 LYS 25 HE3 LYS 25 -10.321 -7.068 -3.280 222 HZ1 LYS 25 HZ1 LYS 25 -8.617 -9.006 -4.206 223 HZ2 LYS 25 HZ2 LYS 25 -9.943 -8.356 -5.029 224 HZ3 LYS 25 HZ3 LYS 25 -10.122 -9.777 -4.130 225 H GLY 26 H GLY 26 -12.318 -4.410 0.165 226 HA2 GLY 26 HA2 GLY 26 -11.862 -3.196 -2.341 227 HA3 GLY 26 HA3 GLY 26 -13.243 -2.900 -1.296 228 H LYS 27 H LYS 27 -11.227 -2.107 0.862 229 HA LYS 27 HA LYS 27 -10.790 0.629 -0.138 230 HB2 LYS 27 HB2 LYS 27 -10.821 1.215 2.353 231 HB3 LYS 27 HB3 LYS 27 -12.355 0.786 1.609 232 HG2 LYS 27 HG2 LYS 27 -12.093 -1.509 2.501 233 HG3 LYS 27 HG3 LYS 27 -10.631 -0.978 3.335 234 HD2 LYS 27 HD2 LYS 27 -12.508 -0.936 4.863 235 HD3 LYS 27 HD3 LYS 27 -11.968 0.713 4.538 236 HE2 LYS 27 HE2 LYS 27 -13.856 1.246 3.375 237 HE3 LYS 27 HE3 LYS 27 -14.103 -0.403 2.805 238 HZ1 LYS 27 HZ1 LYS 27 -14.763 0.721 5.462 239 HZ2 LYS 27 HZ2 LYS 27 -14.702 -0.944 5.177 240 HZ3 LYS 27 HZ3 LYS 27 -15.811 0.016 4.337 241 H VAL 28 H VAL 28 -9.327 -2.164 1.249 242 HA VAL 28 HA VAL 28 -7.024 -1.050 2.393 243 HB VAL 28 HB VAL 28 -7.345 -3.738 1.050 244 HG11 VAL 28 HG11 VAL 28 -5.438 -4.278 2.721 245 HG12 VAL 28 HG12 VAL 28 -5.047 -3.479 1.197 246 HG13 VAL 28 HG13 VAL 28 -5.146 -2.539 2.687 247 HG21 VAL 28 HG21 VAL 28 -8.622 -2.789 3.288 248 HG22 VAL 28 HG22 VAL 28 -8.349 -4.488 2.903 249 HG23 VAL 28 HG23 VAL 28 -7.227 -3.633 3.961 250 H LEU 29 H LEU 29 -7.546 -2.333 -0.888 251 HA LEU 29 HA LEU 29 -5.006 -1.880 -1.910 252 HB2 LEU 29 HB2 LEU 29 -7.729 -2.060 -3.100 253 HB3 LEU 29 HB3 LEU 29 -6.399 -1.509 -4.117 254 HG LEU 29 HG LEU 29 -6.786 -3.877 -4.438 255 HD11 LEU 29 HD11 LEU 29 -4.274 -3.726 -2.821 256 HD12 LEU 29 HD12 LEU 29 -4.432 -2.816 -4.322 257 HD13 LEU 29 HD13 LEU 29 -4.580 -4.573 -4.338 258 HD21 LEU 29 HD21 LEU 29 -6.359 -5.458 -2.570 259 HD22 LEU 29 HD22 LEU 29 -7.801 -4.468 -2.343 260 HD23 LEU 29 HD23 LEU 29 -6.319 -4.083 -1.467 261 H GLU 30 H GLU 30 -7.572 0.359 -1.245 262 HA GLU 30 HA GLU 30 -6.502 2.490 -2.850 263 HB2 GLU 30 HB2 GLU 30 -8.683 2.312 -0.787 264 HB3 GLU 30 HB3 GLU 30 -8.164 3.863 -1.432 265 HG2 GLU 30 HG2 GLU 30 -9.002 1.624 -3.235 266 HG3 GLU 30 HG3 GLU 30 -10.179 2.716 -2.507 267 H TRP 31 H TRP 31 -6.244 1.427 0.473 268 HA TRP 31 HA TRP 31 -4.999 3.811 1.441 269 HB2 TRP 31 HB2 TRP 31 -5.369 1.035 2.529 270 HB3 TRP 31 HB3 TRP 31 -4.319 2.184 3.353 271 HD1 TRP 31 HD1 TRP 31 -6.164 4.787 2.908 272 HE1 TRP 31 HE1 TRP 31 -8.326 5.016 4.286 273 HE3 TRP 31 HE3 TRP 31 -6.856 -0.122 4.156 274 HZ2 TRP 31 HZ2 TRP 31 -10.090 3.338 5.714 275 HZ3 TRP 31 HZ3 TRP 31 -8.805 -0.726 5.531 276 HH2 TRP 31 HH2 TRP 31 -10.387 0.970 6.294 277 H LEU 32 H LEU 32 -3.913 1.017 -0.248 278 HA LEU 32 HA LEU 32 -1.142 1.320 0.527 279 HB2 LEU 32 HB2 LEU 32 -2.271 -0.373 -1.691 280 HB3 LEU 32 HB3 LEU 32 -0.703 -0.542 -0.904 281 HG LEU 32 HG LEU 32 -3.161 -0.845 0.751 282 HD11 LEU 32 HD11 LEU 32 -2.849 -2.311 -1.600 283 HD12 LEU 32 HD12 LEU 32 -3.913 -2.680 -0.243 284 HD13 LEU 32 HD13 LEU 32 -2.294 -3.377 -0.309 285 HD21 LEU 32 HD21 LEU 32 -0.317 -1.466 0.890 286 HD22 LEU 32 HD22 LEU 32 -1.348 -2.817 1.361 287 HD23 LEU 32 HD23 LEU 32 -1.499 -1.263 2.183 288 H ASN 33 H ASN 33 -3.251 2.451 -1.957 289 HA ASN 33 HA ASN 33 -1.065 3.230 -3.711 290 HB2 ASN 33 HB2 ASN 33 -3.009 2.428 -4.846 291 HB3 ASN 33 HB3 ASN 33 -4.065 3.494 -3.925 292 HD21 ASN 33 HD21 ASN 33 -4.924 4.747 -5.451 293 HD22 ASN 33 HD22 ASN 33 -4.025 5.722 -6.558 294 H VAL 34 H VAL 34 -3.152 4.599 -1.304 295 HA VAL 34 HA VAL 34 -2.247 7.312 -1.962 296 HB VAL 34 HB VAL 34 -3.981 8.128 -0.489 297 HG11 VAL 34 HG11 VAL 34 -5.915 7.463 -1.726 298 HG12 VAL 34 HG12 VAL 34 -4.542 7.467 -2.834 299 HG13 VAL 34 HG13 VAL 34 -5.157 5.942 -2.197 300 HG21 VAL 34 HG21 VAL 34 -4.222 6.742 1.308 301 HG22 VAL 34 HG22 VAL 34 -5.609 6.218 0.353 302 HG23 VAL 34 HG23 VAL 34 -4.118 5.276 0.334 303 H GLY 35 H GLY 35 -1.943 4.785 0.397 304 HA2 GLY 35 HA2 GLY 35 -0.833 6.470 2.455 305 HA3 GLY 35 HA3 GLY 35 -0.892 4.713 2.461 306 HA PRO 36 HA PRO 36 3.432 6.444 1.462 307 HB2 PRO 36 HB2 PRO 36 4.610 5.981 3.863 308 HB3 PRO 36 HB3 PRO 36 3.818 7.509 3.461 309 HG2 PRO 36 HG2 PRO 36 2.774 5.194 5.046 310 HG3 PRO 36 HG3 PRO 36 2.633 6.930 5.377 311 HD2 PRO 36 HD2 PRO 36 0.619 5.487 4.285 312 HD3 PRO 36 HD3 PRO 36 0.887 7.199 3.896 313 H THR 37 H THR 37 2.682 3.778 3.713 314 HA THR 37 HA THR 37 3.978 1.902 1.901 315 HB THR 37 HB THR 37 5.414 0.927 3.573 316 HG1 THR 37 HG1 THR 37 5.488 1.723 5.670 317 HG21 THR 37 HG21 THR 37 5.790 3.923 3.627 318 HG22 THR 37 HG22 THR 37 6.268 2.877 2.290 319 HG23 THR 37 HG23 THR 37 7.032 2.695 3.869 320 H LEU 38 H LEU 38 3.967 -0.360 3.345 321 HA LEU 38 HA LEU 38 1.200 -1.013 3.478 322 HB2 LEU 38 HB2 LEU 38 3.599 -2.604 4.371 323 HB3 LEU 38 HB3 LEU 38 1.969 -3.236 4.152 324 HG LEU 38 HG LEU 38 3.660 -2.091 1.932 325 HD11 LEU 38 HD11 LEU 38 4.829 -4.003 2.399 326 HD12 LEU 38 HD12 LEU 38 3.603 -4.637 1.302 327 HD13 LEU 38 HD13 LEU 38 3.418 -4.843 3.044 328 HD21 LEU 38 HD21 LEU 38 1.697 -3.871 1.001 329 HD22 LEU 38 HD22 LEU 38 1.769 -2.124 0.773 330 HD23 LEU 38 HD23 LEU 38 0.893 -2.799 2.147 331 H GLU 39 H GLU 39 3.639 -0.186 5.836 332 HA GLU 39 HA GLU 39 2.427 -1.142 8.160 333 HB2 GLU 39 HB2 GLU 39 4.567 0.674 7.482 334 HB3 GLU 39 HB3 GLU 39 3.642 1.296 8.842 335 HG2 GLU 39 HG2 GLU 39 4.869 -1.447 8.683 336 HG3 GLU 39 HG3 GLU 39 5.548 -0.069 9.547 337 H TRP 40 H TRP 40 2.098 2.022 6.574 338 HA TRP 40 HA TRP 40 0.383 3.226 8.394 339 HB2 TRP 40 HB2 TRP 40 1.474 4.373 6.473 340 HB3 TRP 40 HB3 TRP 40 0.338 3.574 5.389 341 HD1 TRP 40 HD1 TRP 40 0.303 6.098 8.327 342 HE1 TRP 40 HE1 TRP 40 -1.722 7.655 8.013 343 HE3 TRP 40 HE3 TRP 40 -1.799 3.878 4.229 344 HZ2 TRP 40 HZ2 TRP 40 -3.920 7.908 6.260 345 HZ3 TRP 40 HZ3 TRP 40 -3.862 4.840 3.295 346 HH2 TRP 40 HH2 TRP 40 -4.900 6.813 4.291 347 H VAL 41 H VAL 41 -0.502 1.446 5.432 348 HA VAL 41 HA VAL 41 -3.266 1.556 5.750 349 HB VAL 41 HB VAL 41 -1.738 -0.744 4.528 350 HG11 VAL 41 HG11 VAL 41 -3.856 -0.635 3.016 351 HG12 VAL 41 HG12 VAL 41 -3.943 -1.427 4.590 352 HG13 VAL 41 HG13 VAL 41 -4.566 0.212 4.390 353 HG21 VAL 41 HG21 VAL 41 -2.306 2.012 3.535 354 HG22 VAL 41 HG22 VAL 41 -0.849 1.033 3.363 355 HG23 VAL 41 HG23 VAL 41 -2.276 0.670 2.392 356 H TRP 42 H TRP 42 -0.935 -0.827 6.950 357 HA TRP 42 HA TRP 42 -2.661 -2.724 7.975 358 HB2 TRP 42 HB2 TRP 42 -0.344 -3.217 7.996 359 HB3 TRP 42 HB3 TRP 42 0.035 -1.770 8.927 360 HD1 TRP 42 HD1 TRP 42 0.955 -2.636 11.160 361 HE1 TRP 42 HE1 TRP 42 0.164 -4.313 12.945 362 HE3 TRP 42 HE3 TRP 42 -3.146 -4.512 8.752 363 HZ2 TRP 42 HZ2 TRP 42 -1.922 -6.184 13.287 364 HZ3 TRP 42 HZ3 TRP 42 -4.485 -6.243 9.877 365 HH2 TRP 42 HH2 TRP 42 -3.884 -7.060 12.097 366 H GLN 43 H GLN 43 -1.268 0.039 9.754 367 HA GLN 43 HA GLN 43 -2.697 -0.329 12.120 368 HB2 GLN 43 HB2 GLN 43 -1.739 2.279 10.928 369 HB3 GLN 43 HB3 GLN 43 -2.170 2.013 12.612 370 HG2 GLN 43 HG2 GLN 43 0.109 0.717 11.134 371 HG3 GLN 43 HG3 GLN 43 0.234 2.017 12.319 372 HE21 GLN 43 HE21 GLN 43 1.390 -0.677 12.313 373 HE22 GLN 43 HE22 GLN 43 0.852 -1.423 13.776 374 H LYS 44 H LYS 44 -3.441 1.821 9.378 375 HA LYS 44 HA LYS 44 -5.800 2.915 10.300 376 HB2 LYS 44 HB2 LYS 44 -4.733 2.305 7.577 377 HB3 LYS 44 HB3 LYS 44 -6.405 2.830 7.727 378 HG2 LYS 44 HG2 LYS 44 -4.197 4.391 9.006 379 HG3 LYS 44 HG3 LYS 44 -4.574 4.587 7.293 380 HD2 LYS 44 HD2 LYS 44 -7.031 4.841 8.207 381 HD3 LYS 44 HD3 LYS 44 -6.193 5.293 9.694 382 HE2 LYS 44 HE2 LYS 44 -4.828 6.831 8.039 383 HE3 LYS 44 HE3 LYS 44 -6.283 6.674 7.057 384 HZ1 LYS 44 HZ1 LYS 44 -7.449 7.302 9.278 385 HZ2 LYS 44 HZ2 LYS 44 -6.769 8.510 8.310 386 HZ3 LYS 44 HZ3 LYS 44 -5.941 7.957 9.677 387 H LEU 45 H LEU 45 -5.497 0.027 8.224 388 HA LEU 45 HA LEU 45 -8.205 -0.677 8.269 389 HB2 LEU 45 HB2 LEU 45 -6.889 -1.691 6.625 390 HB3 LEU 45 HB3 LEU 45 -5.681 -2.222 7.794 391 HG LEU 45 HG LEU 45 -7.356 -3.851 8.675 392 HD11 LEU 45 HD11 LEU 45 -9.195 -2.369 7.343 393 HD12 LEU 45 HD12 LEU 45 -9.447 -4.028 7.885 394 HD13 LEU 45 HD13 LEU 45 -8.957 -3.710 6.221 395 HD21 LEU 45 HD21 LEU 45 -7.246 -4.689 5.906 396 HD22 LEU 45 HD22 LEU 45 -6.432 -5.357 7.321 397 HD23 LEU 45 HD23 LEU 45 -5.713 -4.004 6.446 398 H LYS 46 H LYS 46 -5.701 -1.106 10.615 399 HA LYS 46 HA LYS 46 -6.810 -3.249 12.078 400 HB2 LYS 46 HB2 LYS 46 -4.467 -1.980 12.207 401 HB3 LYS 46 HB3 LYS 46 -5.290 -1.123 13.504 402 HG2 LYS 46 HG2 LYS 46 -5.813 -3.349 14.523 403 HG3 LYS 46 HG3 LYS 46 -4.761 -4.077 13.307 404 HD2 LYS 46 HD2 LYS 46 -3.051 -2.281 14.184 405 HD3 LYS 46 HD3 LYS 46 -4.070 -2.331 15.624 406 HE2 LYS 46 HE2 LYS 46 -3.759 -4.966 15.177 407 HE3 LYS 46 HE3 LYS 46 -2.240 -4.365 14.515 408 HZ1 LYS 46 HZ1 LYS 46 -2.698 -4.894 17.121 409 HZ2 LYS 46 HZ2 LYS 46 -2.931 -3.220 17.063 410 HZ3 LYS 46 HZ3 LYS 46 -1.468 -3.888 16.539 411 H LYS 47 H LYS 47 -7.573 0.122 11.915 412 HA LYS 47 HA LYS 47 -8.999 0.238 14.401 413 HB2 LYS 47 HB2 LYS 47 -7.931 2.171 13.007 414 HB3 LYS 47 HB3 LYS 47 -9.456 2.145 12.132 415 HG2 LYS 47 HG2 LYS 47 -9.927 3.718 13.708 416 HG3 LYS 47 HG3 LYS 47 -10.469 2.268 14.557 417 HD2 LYS 47 HD2 LYS 47 -8.175 2.155 15.594 418 HD3 LYS 47 HD3 LYS 47 -7.870 3.753 14.909 419 HE2 LYS 47 HE2 LYS 47 -8.595 4.250 17.052 420 HE3 LYS 47 HE3 LYS 47 -10.069 4.417 16.100 421 HZ1 LYS 47 HZ1 LYS 47 -10.090 1.806 16.814 422 HZ2 LYS 47 HZ2 LYS 47 -10.949 3.037 17.594 423 HZ3 LYS 47 HZ3 LYS 47 -9.443 2.547 18.190 424 H ILE 48 H ILE 48 -10.063 0.368 10.996 425 HA ILE 48 HA ILE 48 -12.787 0.241 11.410 426 HB ILE 48 HB ILE 48 -11.844 0.639 9.206 427 HG12 ILE 48 HG12 ILE 48 -13.478 -1.903 9.136 428 HG13 ILE 48 HG13 ILE 48 -14.159 -0.315 9.474 429 HG21 ILE 48 HG21 ILE 48 -10.956 -1.265 7.878 430 HG22 ILE 48 HG22 ILE 48 -9.941 -0.820 9.249 431 HG23 ILE 48 HG23 ILE 48 -10.978 -2.243 9.345 432 HD11 ILE 48 HD11 ILE 48 -13.991 -1.465 7.018 433 HD12 ILE 48 HD12 ILE 48 -14.158 0.265 7.321 434 HD13 ILE 48 HD13 ILE 48 -12.563 -0.430 7.031 435 H ALA 49 H ALA 49 -10.415 -2.306 11.611 436 HA ALA 49 HA ALA 49 -12.441 -4.386 11.765 437 HB1 ALA 49 HB1 ALA 49 -9.494 -4.312 11.516 438 HB2 ALA 49 HB2 ALA 49 -10.192 -5.705 12.343 439 HB3 ALA 49 HB3 ALA 49 -10.679 -5.325 10.692 440 H GLY 50 H GLY 50 -10.274 -2.600 13.872 441 HA2 GLY 50 HA2 GLY 50 -10.364 -2.317 16.161 442 HA3 GLY 50 HA3 GLY 50 -11.827 -3.290 16.176 443 H LEU 51 H LEU 51 -8.656 -4.247 14.951 444 HA LEU 51 HA LEU 51 -8.718 -6.718 16.334 445 HB2 LEU 51 HB2 LEU 51 -6.343 -5.332 15.103 446 HB3 LEU 51 HB3 LEU 51 -6.473 -7.045 15.494 447 HG LEU 51 HG LEU 51 -8.076 -5.597 13.387 448 HD11 LEU 51 HD11 LEU 51 -6.682 -6.516 11.778 449 HD12 LEU 51 HD12 LEU 51 -6.019 -7.713 12.890 450 HD13 LEU 51 HD13 LEU 51 -5.553 -6.019 13.039 451 HD21 LEU 51 HD21 LEU 51 -8.016 -8.463 14.299 452 HD22 LEU 51 HD22 LEU 51 -8.646 -7.970 12.727 453 HD23 LEU 51 HD23 LEU 51 -9.401 -7.375 14.207 Start of MODEL 15 1 H1 MET 1 H MET 1 6.002 -0.647 -1.583 2 HA MET 1 HA MET 1 4.340 -2.425 -0.635 3 HB2 MET 1 HB2 MET 1 2.553 -0.774 -0.456 4 HB3 MET 1 HB3 MET 1 4.116 -0.025 -0.159 5 HG2 MET 1 HG2 MET 1 3.212 0.077 -2.945 6 HG3 MET 1 HG3 MET 1 2.210 0.968 -1.802 7 HE1 MET 1 HE1 MET 1 4.328 3.694 -3.555 8 HE2 MET 1 HE2 MET 1 3.035 2.529 -3.839 9 HE3 MET 1 HE3 MET 1 2.903 3.689 -2.516 10 H SER 2 H SER 2 2.388 -3.481 -1.112 11 HA SER 2 HA SER 2 1.069 -3.271 -3.615 12 HB2 SER 2 HB2 SER 2 3.188 -5.357 -3.302 13 HB3 SER 2 HB3 SER 2 1.721 -5.772 -4.188 14 HG SER 2 HG SER 2 3.549 -4.834 -5.418 15 H TRP 3 H TRP 3 -0.354 -5.373 -3.930 16 HA TRP 3 HA TRP 3 -1.917 -5.598 -1.551 17 HB2 TRP 3 HB2 TRP 3 -3.058 -5.594 -3.664 18 HB3 TRP 3 HB3 TRP 3 -2.106 -6.959 -4.242 19 HD1 TRP 3 HD1 TRP 3 -3.699 -8.950 -4.433 20 HE1 TRP 3 HE1 TRP 3 -5.500 -10.022 -2.939 21 HE3 TRP 3 HE3 TRP 3 -3.698 -5.563 -0.603 22 HZ2 TRP 3 HZ2 TRP 3 -6.755 -9.501 -0.465 23 HZ3 TRP 3 HZ3 TRP 3 -5.230 -5.922 1.289 24 HH2 TRP 3 HH2 TRP 3 -6.726 -7.851 1.355 25 H LEU 4 H LEU 4 -0.509 -8.191 -3.559 26 HA LEU 4 HA LEU 4 -0.753 -10.242 -1.730 27 HB2 LEU 4 HB2 LEU 4 1.489 -9.871 -3.710 28 HB3 LEU 4 HB3 LEU 4 0.994 -11.392 -2.970 29 HG LEU 4 HG LEU 4 -0.934 -9.832 -4.648 30 HD11 LEU 4 HD11 LEU 4 -0.067 -10.507 -6.626 31 HD12 LEU 4 HD12 LEU 4 0.644 -11.970 -5.944 32 HD13 LEU 4 HD13 LEU 4 1.442 -10.413 -5.718 33 HD21 LEU 4 HD21 LEU 4 -0.672 -12.576 -3.559 34 HD22 LEU 4 HD22 LEU 4 -1.428 -12.399 -5.143 35 HD23 LEU 4 HD23 LEU 4 -2.101 -11.559 -3.746 36 H ASN 5 H ASN 5 1.689 -7.742 -1.932 37 HA ASN 5 HA ASN 5 3.552 -8.908 -0.146 38 HB2 ASN 5 HB2 ASN 5 3.072 -6.106 -1.127 39 HB3 ASN 5 HB3 ASN 5 4.279 -6.432 0.114 40 HD21 ASN 5 HD21 ASN 5 5.757 -5.568 -1.488 41 HD22 ASN 5 HD22 ASN 5 6.383 -6.619 -2.708 42 H PHE 6 H PHE 6 0.972 -6.509 0.321 43 HA PHE 6 HA PHE 6 1.355 -5.968 3.009 44 HB2 PHE 6 HB2 PHE 6 -0.222 -4.711 1.637 45 HB3 PHE 6 HB3 PHE 6 -1.250 -6.132 1.479 46 HD1 PHE 6 HD1 PHE 6 0.048 -3.639 3.875 47 HD2 PHE 6 HD2 PHE 6 -2.837 -6.679 3.129 48 HE1 PHE 6 HE1 PHE 6 -1.176 -2.971 5.903 49 HE2 PHE 6 HE2 PHE 6 -4.065 -6.015 5.154 50 HZ PHE 6 HZ PHE 6 -3.236 -4.158 6.544 51 H LEU 7 H LEU 7 -0.927 -8.347 1.641 52 HA LEU 7 HA LEU 7 -1.775 -9.490 4.010 53 HB2 LEU 7 HB2 LEU 7 -1.340 -10.854 1.357 54 HB3 LEU 7 HB3 LEU 7 -2.316 -11.485 2.683 55 HG LEU 7 HG LEU 7 -2.932 -8.884 1.298 56 HD11 LEU 7 HD11 LEU 7 -3.299 -11.611 0.360 57 HD12 LEU 7 HD12 LEU 7 -3.478 -10.082 -0.500 58 HD13 LEU 7 HD13 LEU 7 -4.813 -10.712 0.465 59 HD21 LEU 7 HD21 LEU 7 -4.365 -10.679 3.227 60 HD22 LEU 7 HD22 LEU 7 -5.242 -9.546 2.198 61 HD23 LEU 7 HD23 LEU 7 -4.045 -8.948 3.348 62 H LYS 8 H LYS 8 1.032 -10.348 2.023 63 HA LYS 8 HA LYS 8 1.864 -12.562 3.551 64 HB2 LYS 8 HB2 LYS 8 2.647 -11.528 1.196 65 HB3 LYS 8 HB3 LYS 8 3.935 -10.908 2.219 66 HG2 LYS 8 HG2 LYS 8 3.996 -13.425 3.037 67 HG3 LYS 8 HG3 LYS 8 3.306 -13.696 1.434 68 HD2 LYS 8 HD2 LYS 8 5.536 -13.813 0.931 69 HD3 LYS 8 HD3 LYS 8 5.264 -12.084 0.701 70 HE2 LYS 8 HE2 LYS 8 6.073 -13.106 3.387 71 HE3 LYS 8 HE3 LYS 8 7.290 -12.933 2.123 72 HZ1 LYS 8 HZ1 LYS 8 6.148 -10.578 1.928 73 HZ2 LYS 8 HZ2 LYS 8 7.399 -10.874 3.027 74 HZ3 LYS 8 HZ3 LYS 8 5.791 -10.876 3.554 75 H TYR 9 H TYR 9 2.169 -9.156 4.043 76 HA TYR 9 HA TYR 9 4.302 -9.398 5.984 77 HB2 TYR 9 HB2 TYR 9 4.307 -7.396 4.674 78 HB3 TYR 9 HB3 TYR 9 2.621 -7.067 5.057 79 HD1 TYR 9 HD1 TYR 9 5.798 -7.692 6.938 80 HD2 TYR 9 HD2 TYR 9 2.264 -5.355 6.550 81 HE1 TYR 9 HE1 TYR 9 6.509 -6.312 8.846 82 HE2 TYR 9 HE2 TYR 9 2.966 -3.967 8.456 83 HH TYR 9 HH TYR 9 5.216 -3.361 9.562 84 H ILE 10 H ILE 10 0.893 -8.358 6.063 85 HA ILE 10 HA ILE 10 0.740 -8.225 8.885 86 HB ILE 10 HB ILE 10 -1.709 -8.179 8.566 87 HG12 ILE 10 HG12 ILE 10 -1.301 -8.247 5.601 88 HG13 ILE 10 HG13 ILE 10 -1.440 -9.765 6.481 89 HG21 ILE 10 HG21 ILE 10 -0.047 -6.216 8.129 90 HG22 ILE 10 HG22 ILE 10 -0.566 -6.406 6.455 91 HG23 ILE 10 HG23 ILE 10 -1.751 -6.041 7.709 92 HD11 ILE 10 HD11 ILE 10 -3.560 -8.868 5.482 93 HD12 ILE 10 HD12 ILE 10 -3.627 -9.247 7.203 94 HD13 ILE 10 HD13 ILE 10 -3.480 -7.571 6.674 95 H ALA 11 H ALA 11 0.643 -10.845 6.680 96 HA ALA 11 HA ALA 11 -0.974 -12.693 7.986 97 HB1 ALA 11 HB1 ALA 11 0.741 -14.372 6.943 98 HB2 ALA 11 HB2 ALA 11 -0.307 -13.404 5.905 99 HB3 ALA 11 HB3 ALA 11 1.371 -12.923 6.158 100 H LYS 12 H LYS 12 2.158 -11.489 8.825 101 HA LYS 12 HA LYS 12 3.044 -13.601 10.469 102 HB2 LYS 12 HB2 LYS 12 4.667 -12.076 11.312 103 HB3 LYS 12 HB3 LYS 12 4.432 -11.678 9.615 104 HG2 LYS 12 HG2 LYS 12 2.779 -9.913 10.447 105 HG3 LYS 12 HG3 LYS 12 3.498 -10.181 12.037 106 HD2 LYS 12 HD2 LYS 12 5.733 -9.878 10.586 107 HD3 LYS 12 HD3 LYS 12 4.629 -8.888 9.628 108 HE2 LYS 12 HE2 LYS 12 5.362 -7.313 11.107 109 HE3 LYS 12 HE3 LYS 12 3.985 -7.941 12.011 110 HZ1 LYS 12 HZ1 LYS 12 5.639 -7.982 13.578 111 HZ2 LYS 12 HZ2 LYS 12 6.856 -8.370 12.469 112 HZ3 LYS 12 HZ3 LYS 12 5.757 -9.555 12.966 113 H TYR 13 H TYR 13 0.769 -11.025 10.975 114 HA TYR 13 HA TYR 13 0.743 -11.157 13.826 115 HB2 TYR 13 HB2 TYR 13 -1.332 -10.073 11.910 116 HB3 TYR 13 HB3 TYR 13 -1.312 -9.804 13.649 117 HD1 TYR 13 HD2 TYR 13 1.108 -8.891 14.490 118 HD2 TYR 13 HD1 TYR 13 -0.563 -8.334 10.617 119 HE1 TYR 13 HE2 TYR 13 2.524 -6.905 14.171 120 HE2 TYR 13 HE1 TYR 13 0.849 -6.347 10.287 121 HH TYR 13 HH TYR 13 3.488 -5.653 12.060 122 H GLY 14 H GLY 14 -0.897 -12.853 11.258 123 HA2 GLY 14 HA2 GLY 14 -1.572 -15.158 12.186 124 HA3 GLY 14 HA3 GLY 14 -2.619 -14.205 13.227 125 H LYS 15 H LYS 15 -4.069 -15.859 11.993 126 HA LYS 15 HA LYS 15 -4.802 -15.076 9.318 127 HB2 LYS 15 HB2 LYS 15 -6.122 -16.996 11.247 128 HB3 LYS 15 HB3 LYS 15 -6.567 -16.794 9.557 129 HG2 LYS 15 HG2 LYS 15 -4.621 -17.794 8.792 130 HG3 LYS 15 HG3 LYS 15 -3.767 -17.523 10.313 131 HD2 LYS 15 HD2 LYS 15 -4.243 -19.814 10.321 132 HD3 LYS 15 HD3 LYS 15 -5.497 -19.110 11.344 133 HE2 LYS 15 HE2 LYS 15 -6.534 -20.697 9.888 134 HE3 LYS 15 HE3 LYS 15 -7.002 -19.083 9.355 135 HZ1 LYS 15 HZ1 LYS 15 -4.621 -20.014 8.071 136 HZ2 LYS 15 HZ2 LYS 15 -6.042 -19.400 7.390 137 HZ3 LYS 15 HZ3 LYS 15 -5.936 -21.040 7.790 138 H LYS 16 H LYS 16 -5.585 -14.041 12.445 139 HA LYS 16 HA LYS 16 -8.286 -13.249 12.003 140 HB2 LYS 16 HB2 LYS 16 -6.382 -12.038 14.004 141 HB3 LYS 16 HB3 LYS 16 -8.137 -12.121 14.099 142 HG2 LYS 16 HG2 LYS 16 -8.027 -14.534 14.368 143 HG3 LYS 16 HG3 LYS 16 -6.268 -14.480 14.224 144 HD2 LYS 16 HD2 LYS 16 -6.021 -13.380 16.278 145 HD3 LYS 16 HD3 LYS 16 -7.719 -12.898 16.324 146 HE2 LYS 16 HE2 LYS 16 -6.907 -15.786 16.373 147 HE3 LYS 16 HE3 LYS 16 -6.955 -14.821 17.848 148 HZ1 LYS 16 HZ1 LYS 16 -9.341 -14.279 16.731 149 HZ2 LYS 16 HZ2 LYS 16 -9.082 -15.459 17.915 150 HZ3 LYS 16 HZ3 LYS 16 -9.125 -15.895 16.281 151 H ALA 17 H ALA 17 -5.210 -11.886 11.233 152 HA ALA 17 HA ALA 17 -6.307 -9.230 10.764 153 HB1 ALA 17 HB1 ALA 17 -4.171 -9.113 11.694 154 HB2 ALA 17 HB2 ALA 17 -3.543 -10.386 10.646 155 HB3 ALA 17 HB3 ALA 17 -3.905 -8.794 9.980 156 H VAL 18 H VAL 18 -4.663 -11.767 8.875 157 HA VAL 18 HA VAL 18 -4.810 -10.628 6.367 158 HB VAL 18 HB VAL 18 -3.651 -12.773 6.937 159 HG11 VAL 18 HG11 VAL 18 -4.825 -14.831 7.004 160 HG12 VAL 18 HG12 VAL 18 -5.665 -13.741 8.109 161 HG13 VAL 18 HG13 VAL 18 -6.335 -14.066 6.510 162 HG21 VAL 18 HG21 VAL 18 -4.452 -13.915 4.720 163 HG22 VAL 18 HG22 VAL 18 -5.373 -12.424 4.525 164 HG23 VAL 18 HG23 VAL 18 -3.616 -12.363 4.673 165 H SER 19 H SER 19 -7.334 -12.132 8.246 166 HA SER 19 HA SER 19 -9.192 -12.501 6.131 167 HB2 SER 19 HB2 SER 19 -9.137 -13.421 8.624 168 HB3 SER 19 HB3 SER 19 -10.146 -12.004 8.917 169 HG SER 19 HG SER 19 -11.734 -12.912 7.859 170 H ALA 20 H ALA 20 -8.824 -9.958 8.590 171 HA ALA 20 HA ALA 20 -10.982 -8.366 7.812 172 HB1 ALA 20 HB1 ALA 20 -9.511 -6.486 8.827 173 HB2 ALA 20 HB2 ALA 20 -10.080 -7.795 9.864 174 HB3 ALA 20 HB3 ALA 20 -8.424 -7.807 9.256 175 H ALA 21 H ALA 21 -7.702 -8.564 6.568 176 HA ALA 21 HA ALA 21 -7.804 -6.229 4.962 177 HB1 ALA 21 HB1 ALA 21 -6.091 -8.685 4.595 178 HB2 ALA 21 HB2 ALA 21 -5.809 -7.092 3.890 179 HB3 ALA 21 HB3 ALA 21 -5.702 -7.315 5.636 180 H TRP 22 H TRP 22 -8.715 -9.579 4.432 181 HA TRP 22 HA TRP 22 -9.107 -9.316 1.615 182 HB2 TRP 22 HB2 TRP 22 -9.690 -11.393 3.674 183 HB3 TRP 22 HB3 TRP 22 -10.567 -11.476 2.148 184 HD1 TRP 22 HD1 TRP 22 -7.502 -12.705 3.685 185 HE1 TRP 22 HE1 TRP 22 -5.829 -13.529 1.911 186 HE3 TRP 22 HE3 TRP 22 -9.647 -10.644 -0.473 187 HZ2 TRP 22 HZ2 TRP 22 -5.467 -13.331 -0.881 188 HZ3 TRP 22 HZ3 TRP 22 -8.575 -11.008 -2.657 189 HH2 TRP 22 HH2 TRP 22 -6.528 -12.324 -2.855 190 H LYS 23 H LYS 23 -11.353 -9.524 4.374 191 HA LYS 23 HA LYS 23 -13.721 -9.174 2.947 192 HB2 LYS 23 HB2 LYS 23 -13.283 -9.749 5.463 193 HB3 LYS 23 HB3 LYS 23 -13.392 -8.008 5.688 194 HG2 LYS 23 HG2 LYS 23 -15.622 -8.255 4.365 195 HG3 LYS 23 HG3 LYS 23 -15.499 -9.946 4.857 196 HD2 LYS 23 HD2 LYS 23 -15.059 -8.899 7.223 197 HD3 LYS 23 HD3 LYS 23 -15.879 -7.500 6.525 198 HE2 LYS 23 HE2 LYS 23 -17.519 -8.839 7.633 199 HE3 LYS 23 HE3 LYS 23 -17.762 -9.011 5.895 200 HZ1 LYS 23 HZ1 LYS 23 -17.807 -11.104 7.337 201 HZ2 LYS 23 HZ2 LYS 23 -16.123 -10.954 7.396 202 HZ3 LYS 23 HZ3 LYS 23 -16.903 -11.151 5.908 203 H TYR 24 H TYR 24 -11.569 -6.767 4.408 204 HA TYR 24 HA TYR 24 -13.159 -4.629 3.183 205 HB2 TYR 24 HB2 TYR 24 -10.883 -4.371 5.155 206 HB3 TYR 24 HB3 TYR 24 -11.999 -3.105 4.657 207 HD1 TYR 24 HD1 TYR 24 -14.583 -4.544 4.796 208 HD2 TYR 24 HD2 TYR 24 -11.257 -4.585 7.449 209 HE1 TYR 24 HE1 TYR 24 -16.082 -5.130 6.656 210 HE2 TYR 24 HE2 TYR 24 -12.746 -5.173 9.316 211 HH TYR 24 HH TYR 24 -14.854 -6.028 9.791 212 H LYS 25 H LYS 25 -11.318 -6.444 1.725 213 HA LYS 25 HA LYS 25 -8.927 -5.126 1.054 214 HB2 LYS 25 HB2 LYS 25 -9.219 -7.448 0.496 215 HB3 LYS 25 HB3 LYS 25 -10.622 -7.085 -0.500 216 HG2 LYS 25 HG2 LYS 25 -9.144 -5.802 -2.023 217 HG3 LYS 25 HG3 LYS 25 -7.762 -6.330 -1.061 218 HD2 LYS 25 HD2 LYS 25 -7.864 -7.835 -2.865 219 HD3 LYS 25 HD3 LYS 25 -8.571 -8.707 -1.502 220 HE2 LYS 25 HE2 LYS 25 -10.690 -8.618 -2.370 221 HE3 LYS 25 HE3 LYS 25 -10.376 -7.135 -3.270 222 HZ1 LYS 25 HZ1 LYS 25 -8.722 -9.172 -4.268 223 HZ2 LYS 25 HZ2 LYS 25 -9.960 -8.337 -5.063 224 HZ3 LYS 25 HZ3 LYS 25 -10.309 -9.757 -4.211 225 H GLY 26 H GLY 26 -12.201 -4.536 0.153 226 HA2 GLY 26 HA2 GLY 26 -11.815 -3.242 -2.318 227 HA3 GLY 26 HA3 GLY 26 -13.173 -2.986 -1.233 228 H LYS 27 H LYS 27 -11.133 -2.221 0.902 229 HA LYS 27 HA LYS 27 -10.721 0.537 -0.050 230 HB2 LYS 27 HB2 LYS 27 -10.737 1.078 2.451 231 HB3 LYS 27 HB3 LYS 27 -12.275 0.654 1.711 232 HG2 LYS 27 HG2 LYS 27 -11.988 -1.658 2.559 233 HG3 LYS 27 HG3 LYS 27 -10.529 -1.125 3.398 234 HD2 LYS 27 HD2 LYS 27 -12.398 -1.127 4.933 235 HD3 LYS 27 HD3 LYS 27 -11.882 0.534 4.630 236 HE2 LYS 27 HE2 LYS 27 -13.836 1.088 3.680 237 HE3 LYS 27 HE3 LYS 27 -13.933 -0.425 2.780 238 HZ1 LYS 27 HZ1 LYS 27 -14.828 0.133 5.538 239 HZ2 LYS 27 HZ2 LYS 27 -14.536 -1.450 5.020 240 HZ3 LYS 27 HZ3 LYS 27 -15.714 -0.511 4.250 241 H VAL 28 H VAL 28 -9.249 -2.262 1.349 242 HA VAL 28 HA VAL 28 -6.947 -1.178 2.485 243 HB VAL 28 HB VAL 28 -7.245 -3.816 1.043 244 HG11 VAL 28 HG11 VAL 28 -5.326 -4.434 2.628 245 HG12 VAL 28 HG12 VAL 28 -4.939 -3.474 1.199 246 HG13 VAL 28 HG13 VAL 28 -5.069 -2.696 2.777 247 HG21 VAL 28 HG21 VAL 28 -8.524 -2.962 3.319 248 HG22 VAL 28 HG22 VAL 28 -8.241 -4.643 2.868 249 HG23 VAL 28 HG23 VAL 28 -7.122 -3.821 3.956 250 H LEU 29 H LEU 29 -7.418 -2.397 -0.831 251 HA LEU 29 HA LEU 29 -4.905 -1.886 -1.847 252 HB2 LEU 29 HB2 LEU 29 -7.634 -1.980 -3.032 253 HB3 LEU 29 HB3 LEU 29 -6.304 -1.391 -4.028 254 HG LEU 29 HG LEU 29 -6.713 -3.736 -4.464 255 HD11 LEU 29 HD11 LEU 29 -4.210 -3.827 -2.867 256 HD12 LEU 29 HD12 LEU 29 -4.324 -2.653 -4.178 257 HD13 LEU 29 HD13 LEU 29 -4.524 -4.373 -4.515 258 HD21 LEU 29 HD21 LEU 29 -6.286 -5.410 -2.673 259 HD22 LEU 29 HD22 LEU 29 -7.728 -4.429 -2.406 260 HD23 LEU 29 HD23 LEU 29 -6.249 -4.087 -1.507 261 H GLU 30 H GLU 30 -7.493 0.346 -1.157 262 HA GLU 30 HA GLU 30 -6.448 2.536 -2.651 263 HB2 GLU 30 HB2 GLU 30 -8.272 2.706 -0.253 264 HB3 GLU 30 HB3 GLU 30 -8.108 3.869 -1.562 265 HG2 GLU 30 HG2 GLU 30 -8.980 2.109 -3.113 266 HG3 GLU 30 HG3 GLU 30 -9.330 1.127 -1.691 267 H TRP 31 H TRP 31 -6.134 1.443 0.685 268 HA TRP 31 HA TRP 31 -4.694 3.737 1.581 269 HB2 TRP 31 HB2 TRP 31 -5.067 0.969 2.723 270 HB3 TRP 31 HB3 TRP 31 -4.100 2.204 3.526 271 HD1 TRP 31 HD1 TRP 31 -6.012 4.703 3.050 272 HE1 TRP 31 HE1 TRP 31 -8.238 4.853 4.333 273 HE3 TRP 31 HE3 TRP 31 -6.612 -0.238 4.217 274 HZ2 TRP 31 HZ2 TRP 31 -10.013 3.108 5.664 275 HZ3 TRP 31 HZ3 TRP 31 -8.601 -0.915 5.498 276 HH2 TRP 31 HH2 TRP 31 -10.265 0.725 6.206 277 H LEU 32 H LEU 32 -3.828 0.746 0.037 278 HA LEU 32 HA LEU 32 -1.070 0.754 0.705 279 HB2 LEU 32 HB2 LEU 32 -2.509 -0.494 -1.632 280 HB3 LEU 32 HB3 LEU 32 -0.840 -0.829 -1.174 281 HG LEU 32 HG LEU 32 -3.267 -1.443 0.512 282 HD11 LEU 32 HD11 LEU 32 -2.372 -2.775 -1.744 283 HD12 LEU 32 HD12 LEU 32 -3.420 -3.425 -0.483 284 HD13 LEU 32 HD13 LEU 32 -1.677 -3.684 -0.401 285 HD21 LEU 32 HD21 LEU 32 -1.235 -2.953 1.473 286 HD22 LEU 32 HD22 LEU 32 -1.716 -1.392 2.139 287 HD23 LEU 32 HD23 LEU 32 -0.370 -1.490 1.003 288 H ASN 33 H ASN 33 -2.965 2.453 -1.634 289 HA ASN 33 HA ASN 33 -0.597 3.273 -3.139 290 HB2 ASN 33 HB2 ASN 33 -2.617 2.616 -4.397 291 HB3 ASN 33 HB3 ASN 33 -3.518 3.911 -3.613 292 HD21 ASN 33 HD21 ASN 33 -2.899 6.093 -4.053 293 HD22 ASN 33 HD22 ASN 33 -2.130 6.491 -5.548 294 H VAL 34 H VAL 34 -3.431 4.925 -1.727 295 HA VAL 34 HA VAL 34 -2.321 7.492 -1.742 296 HB VAL 34 HB VAL 34 -4.068 8.134 -0.200 297 HG11 VAL 34 HG11 VAL 34 -5.608 7.967 -1.799 298 HG12 VAL 34 HG12 VAL 34 -4.477 6.923 -2.663 299 HG13 VAL 34 HG13 VAL 34 -5.708 6.216 -1.615 300 HG21 VAL 34 HG21 VAL 34 -4.309 6.664 1.505 301 HG22 VAL 34 HG22 VAL 34 -5.594 6.034 0.474 302 HG23 VAL 34 HG23 VAL 34 -4.010 5.259 0.481 303 H GLY 35 H GLY 35 -1.854 4.826 0.421 304 HA2 GLY 35 HA2 GLY 35 -0.744 6.460 2.544 305 HA3 GLY 35 HA3 GLY 35 -0.836 4.705 2.513 306 HA PRO 36 HA PRO 36 3.505 6.375 1.485 307 HB2 PRO 36 HB2 PRO 36 4.710 5.837 3.858 308 HB3 PRO 36 HB3 PRO 36 3.941 7.388 3.501 309 HG2 PRO 36 HG2 PRO 36 2.877 5.059 5.051 310 HG3 PRO 36 HG3 PRO 36 2.775 6.791 5.421 311 HD2 PRO 36 HD2 PRO 36 0.716 5.410 4.330 312 HD3 PRO 36 HD3 PRO 36 1.012 7.124 3.974 313 H THR 37 H THR 37 2.739 3.676 3.691 314 HA THR 37 HA THR 37 3.921 1.799 1.814 315 HB THR 37 HB THR 37 5.401 0.765 3.456 316 HG1 THR 37 HG1 THR 37 4.342 1.372 5.372 317 HG21 THR 37 HG21 THR 37 5.992 3.721 3.349 318 HG22 THR 37 HG22 THR 37 6.206 2.635 1.976 319 HG23 THR 37 HG23 THR 37 7.147 2.392 3.447 320 H LEU 38 H LEU 38 3.936 -0.484 3.167 321 HA LEU 38 HA LEU 38 1.203 -1.125 3.456 322 HB2 LEU 38 HB2 LEU 38 3.633 -2.680 4.328 323 HB3 LEU 38 HB3 LEU 38 2.000 -3.326 4.186 324 HG LEU 38 HG LEU 38 3.679 -2.296 1.900 325 HD11 LEU 38 HD11 LEU 38 4.702 -4.280 2.236 326 HD12 LEU 38 HD12 LEU 38 3.292 -4.896 1.375 327 HD13 LEU 38 HD13 LEU 38 3.344 -4.955 3.137 328 HD21 LEU 38 HD21 LEU 38 1.660 -3.849 0.879 329 HD22 LEU 38 HD22 LEU 38 1.695 -2.085 0.895 330 HD23 LEU 38 HD23 LEU 38 0.854 -2.962 2.174 331 H GLU 39 H GLU 39 3.761 -0.455 5.784 332 HA GLU 39 HA GLU 39 2.568 -1.277 8.132 333 HB2 GLU 39 HB2 GLU 39 4.852 -0.459 8.071 334 HB3 GLU 39 HB3 GLU 39 4.296 1.154 7.647 335 HG2 GLU 39 HG2 GLU 39 3.666 1.651 9.765 336 HG3 GLU 39 HG3 GLU 39 3.244 -0.016 10.151 337 H TRP 40 H TRP 40 2.351 1.967 6.669 338 HA TRP 40 HA TRP 40 0.625 3.136 8.474 339 HB2 TRP 40 HB2 TRP 40 1.761 4.290 6.569 340 HB3 TRP 40 HB3 TRP 40 0.574 3.574 5.482 341 HD1 TRP 40 HD1 TRP 40 0.815 6.132 8.353 342 HE1 TRP 40 HE1 TRP 40 -1.194 7.731 8.179 343 HE3 TRP 40 HE3 TRP 40 -1.733 3.825 4.569 344 HZ2 TRP 40 HZ2 TRP 40 -3.548 7.981 6.641 345 HZ3 TRP 40 HZ3 TRP 40 -3.855 4.807 3.805 346 HH2 TRP 40 HH2 TRP 40 -4.743 6.842 4.822 347 H VAL 41 H VAL 41 -0.239 1.345 5.520 348 HA VAL 41 HA VAL 41 -3.008 1.547 5.742 349 HB VAL 41 HB VAL 41 -1.481 -0.809 4.627 350 HG11 VAL 41 HG11 VAL 41 -3.615 -1.575 4.544 351 HG12 VAL 41 HG12 VAL 41 -4.315 0.044 4.571 352 HG13 VAL 41 HG13 VAL 41 -3.643 -0.603 3.074 353 HG21 VAL 41 HG21 VAL 41 -2.011 1.921 3.566 354 HG22 VAL 41 HG22 VAL 41 -0.585 0.898 3.389 355 HG23 VAL 41 HG23 VAL 41 -2.035 0.560 2.445 356 H TRP 42 H TRP 42 -0.814 -0.939 7.014 357 HA TRP 42 HA TRP 42 -2.652 -2.704 8.070 358 HB2 TRP 42 HB2 TRP 42 -0.341 -3.294 8.094 359 HB3 TRP 42 HB3 TRP 42 0.076 -1.889 9.072 360 HD1 TRP 42 HD1 TRP 42 0.874 -2.826 11.320 361 HE1 TRP 42 HE1 TRP 42 -0.035 -4.518 13.034 362 HE3 TRP 42 HE3 TRP 42 -3.192 -4.513 8.720 363 HZ2 TRP 42 HZ2 TRP 42 -2.189 -6.328 13.255 364 HZ3 TRP 42 HZ3 TRP 42 -4.625 -6.226 9.753 365 HH2 TRP 42 HH2 TRP 42 -4.132 -7.113 11.973 366 H GLN 43 H GLN 43 -1.137 0.042 9.769 367 HA GLN 43 HA GLN 43 -2.464 -0.170 12.179 368 HB2 GLN 43 HB2 GLN 43 -1.764 2.426 10.801 369 HB3 GLN 43 HB3 GLN 43 -1.968 2.173 12.529 370 HG2 GLN 43 HG2 GLN 43 0.256 1.254 10.749 371 HG3 GLN 43 HG3 GLN 43 0.338 2.243 12.206 372 HE21 GLN 43 HE21 GLN 43 -1.181 0.780 13.946 373 HE22 GLN 43 HE22 GLN 43 -0.412 -0.735 14.260 374 H LYS 44 H LYS 44 -3.413 1.967 9.482 375 HA LYS 44 HA LYS 44 -5.825 2.845 10.496 376 HB2 LYS 44 HB2 LYS 44 -4.860 2.395 7.687 377 HB3 LYS 44 HB3 LYS 44 -6.491 2.976 7.993 378 HG2 LYS 44 HG2 LYS 44 -4.152 4.368 9.221 379 HG3 LYS 44 HG3 LYS 44 -4.589 4.671 7.538 380 HD2 LYS 44 HD2 LYS 44 -6.987 5.004 8.537 381 HD3 LYS 44 HD3 LYS 44 -6.102 5.289 10.038 382 HE2 LYS 44 HE2 LYS 44 -5.377 6.713 7.499 383 HE3 LYS 44 HE3 LYS 44 -6.665 7.307 8.545 384 HZ1 LYS 44 HZ1 LYS 44 -4.577 6.824 10.239 385 HZ2 LYS 44 HZ2 LYS 44 -5.070 8.338 9.669 386 HZ3 LYS 44 HZ3 LYS 44 -3.836 7.496 8.875 387 H LEU 45 H LEU 45 -5.353 0.102 8.263 388 HA LEU 45 HA LEU 45 -7.983 -0.793 8.222 389 HB2 LEU 45 HB2 LEU 45 -6.544 -1.710 6.631 390 HB3 LEU 45 HB3 LEU 45 -5.349 -2.168 7.842 391 HG LEU 45 HG LEU 45 -6.929 -3.919 8.645 392 HD11 LEU 45 HD11 LEU 45 -8.833 -2.548 7.294 393 HD12 LEU 45 HD12 LEU 45 -8.982 -4.232 7.795 394 HD13 LEU 45 HD13 LEU 45 -8.475 -3.842 6.151 395 HD21 LEU 45 HD21 LEU 45 -6.699 -4.718 5.875 396 HD22 LEU 45 HD22 LEU 45 -5.864 -5.336 7.300 397 HD23 LEU 45 HD23 LEU 45 -5.231 -3.927 6.449 398 H LYS 46 H LYS 46 -5.557 -1.113 10.670 399 HA LYS 46 HA LYS 46 -6.676 -3.318 12.062 400 HB2 LYS 46 HB2 LYS 46 -4.318 -2.232 12.260 401 HB3 LYS 46 HB3 LYS 46 -5.094 -1.154 13.412 402 HG2 LYS 46 HG2 LYS 46 -5.809 -3.143 14.711 403 HG3 LYS 46 HG3 LYS 46 -4.879 -4.151 13.599 404 HD2 LYS 46 HD2 LYS 46 -3.098 -2.169 14.361 405 HD3 LYS 46 HD3 LYS 46 -3.983 -2.540 15.843 406 HE2 LYS 46 HE2 LYS 46 -3.530 -5.029 14.993 407 HE3 LYS 46 HE3 LYS 46 -2.150 -4.231 14.240 408 HZ1 LYS 46 HZ1 LYS 46 -1.132 -4.333 16.187 409 HZ2 LYS 46 HZ2 LYS 46 -2.507 -4.966 16.940 410 HZ3 LYS 46 HZ3 LYS 46 -2.292 -3.291 16.843 411 H LYS 47 H LYS 47 -7.420 0.057 11.938 412 HA LYS 47 HA LYS 47 -8.873 0.151 14.408 413 HB2 LYS 47 HB2 LYS 47 -7.845 2.157 13.384 414 HB3 LYS 47 HB3 LYS 47 -8.975 2.032 12.042 415 HG2 LYS 47 HG2 LYS 47 -10.840 2.417 13.544 416 HG3 LYS 47 HG3 LYS 47 -9.738 2.475 14.922 417 HD2 LYS 47 HD2 LYS 47 -8.592 4.405 13.815 418 HD3 LYS 47 HD3 LYS 47 -9.876 4.398 12.604 419 HE2 LYS 47 HE2 LYS 47 -10.615 5.990 14.116 420 HE3 LYS 47 HE3 LYS 47 -11.466 4.538 14.640 421 HZ1 LYS 47 HZ1 LYS 47 -10.031 6.117 16.258 422 HZ2 LYS 47 HZ2 LYS 47 -8.881 4.939 15.870 423 HZ3 LYS 47 HZ3 LYS 47 -10.354 4.486 16.568 424 H ILE 48 H ILE 48 -9.848 0.170 10.979 425 HA ILE 48 HA ILE 48 -12.600 0.090 11.365 426 HB ILE 48 HB ILE 48 -11.615 0.498 9.174 427 HG12 ILE 48 HG12 ILE 48 -13.277 -2.024 9.067 428 HG13 ILE 48 HG13 ILE 48 -13.944 -0.433 9.417 429 HG21 ILE 48 HG21 ILE 48 -10.771 -1.459 7.852 430 HG22 ILE 48 HG22 ILE 48 -9.731 -0.953 9.182 431 HG23 ILE 48 HG23 ILE 48 -10.752 -2.380 9.356 432 HD11 ILE 48 HD11 ILE 48 -13.778 -1.550 6.952 433 HD12 ILE 48 HD12 ILE 48 -13.906 0.180 7.270 434 HD13 ILE 48 HD13 ILE 48 -12.326 -0.550 6.985 435 H ALA 49 H ALA 49 -10.221 -2.423 11.663 436 HA ALA 49 HA ALA 49 -12.274 -4.499 11.816 437 HB1 ALA 49 HB1 ALA 49 -10.321 -5.040 10.503 438 HB2 ALA 49 HB2 ALA 49 -9.265 -4.688 11.872 439 HB3 ALA 49 HB3 ALA 49 -10.368 -6.063 11.940 440 H GLY 50 H GLY 50 -10.226 -2.576 13.836 441 HA2 GLY 50 HA2 GLY 50 -10.117 -2.372 16.122 442 HA3 GLY 50 HA3 GLY 50 -11.581 -3.341 16.198 443 H LEU 51 H LEU 51 -8.446 -4.279 14.858 444 HA LEU 51 HA LEU 51 -8.471 -6.709 16.390 445 HB2 LEU 51 HB2 LEU 51 -6.133 -5.694 14.814 446 HB3 LEU 51 HB3 LEU 51 -6.605 -7.360 15.140 447 HG LEU 51 HG LEU 51 -8.194 -5.513 13.370 448 HD11 LEU 51 HD11 LEU 51 -5.990 -5.746 12.405 449 HD12 LEU 51 HD12 LEU 51 -7.151 -6.698 11.482 450 HD13 LEU 51 HD13 LEU 51 -6.055 -7.496 12.610 451 HD21 LEU 51 HD21 LEU 51 -8.316 -8.389 14.128 452 HD22 LEU 51 HD22 LEU 51 -8.803 -7.919 12.500 453 HD23 LEU 51 HD23 LEU 51 -9.620 -7.224 13.901 Start of MODEL 16 1 H1 MET 1 H MET 1 5.563 -0.949 -2.456 2 HA MET 1 HA MET 1 4.052 -2.282 -0.306 3 HB2 MET 1 HB2 MET 1 2.281 -0.636 -0.627 4 HB3 MET 1 HB3 MET 1 3.800 0.162 -0.242 5 HG2 MET 1 HG2 MET 1 3.209 -0.189 -3.107 6 HG3 MET 1 HG3 MET 1 2.171 0.928 -2.225 7 HE1 MET 1 HE1 MET 1 2.483 2.882 -3.111 8 HE2 MET 1 HE2 MET 1 3.216 3.675 -1.717 9 HE3 MET 1 HE3 MET 1 3.948 3.843 -3.313 10 H SER 2 H SER 2 2.199 -3.445 -0.873 11 HA SER 2 HA SER 2 1.134 -3.610 -3.473 12 HB2 SER 2 HB2 SER 2 3.324 -4.665 -3.964 13 HB3 SER 2 HB3 SER 2 2.986 -5.892 -2.743 14 HG SER 2 HG SER 2 1.283 -5.402 -4.953 15 H TRP 3 H TRP 3 -0.298 -5.598 -3.708 16 HA TRP 3 HA TRP 3 -1.855 -5.848 -1.320 17 HB2 TRP 3 HB2 TRP 3 -3.020 -5.758 -3.416 18 HB3 TRP 3 HB3 TRP 3 -2.097 -7.117 -4.051 19 HD1 TRP 3 HD1 TRP 3 -3.584 -9.183 -4.191 20 HE1 TRP 3 HE1 TRP 3 -5.440 -10.233 -2.750 21 HE3 TRP 3 HE3 TRP 3 -3.821 -5.669 -0.485 22 HZ2 TRP 3 HZ2 TRP 3 -6.823 -9.649 -0.360 23 HZ3 TRP 3 HZ3 TRP 3 -5.438 -5.989 1.342 24 HH2 TRP 3 HH2 TRP 3 -6.908 -7.938 1.401 25 H LEU 4 H LEU 4 -0.258 -8.284 -3.386 26 HA LEU 4 HA LEU 4 -0.600 -10.438 -1.634 27 HB2 LEU 4 HB2 LEU 4 1.554 -9.961 -3.688 28 HB3 LEU 4 HB3 LEU 4 1.233 -11.507 -2.905 29 HG LEU 4 HG LEU 4 -0.864 -10.099 -4.531 30 HD11 LEU 4 HD11 LEU 4 0.670 -12.292 -5.771 31 HD12 LEU 4 HD12 LEU 4 1.486 -10.733 -5.656 32 HD13 LEU 4 HD13 LEU 4 -0.059 -10.859 -6.497 33 HD21 LEU 4 HD21 LEU 4 -1.217 -12.772 -4.812 34 HD22 LEU 4 HD22 LEU 4 -2.012 -11.784 -3.586 35 HD23 LEU 4 HD23 LEU 4 -0.552 -12.688 -3.180 36 H ASN 5 H ASN 5 1.725 -7.859 -1.667 37 HA ASN 5 HA ASN 5 3.587 -9.142 0.105 38 HB2 ASN 5 HB2 ASN 5 3.306 -6.258 -0.766 39 HB3 ASN 5 HB3 ASN 5 4.629 -6.873 0.221 40 HD21 ASN 5 HD21 ASN 5 5.330 -5.667 -2.017 41 HD22 ASN 5 HD22 ASN 5 5.838 -6.797 -3.221 42 H PHE 6 H PHE 6 1.155 -6.571 0.431 43 HA PHE 6 HA PHE 6 1.515 -5.923 3.088 44 HB2 PHE 6 HB2 PHE 6 0.002 -4.649 1.711 45 HB3 PHE 6 HB3 PHE 6 -1.039 -6.050 1.477 46 HD1 PHE 6 HD2 PHE 6 -2.476 -6.845 3.285 47 HD2 PHE 6 HD1 PHE 6 -0.092 -3.346 3.714 48 HE1 PHE 6 HE2 PHE 6 -3.809 -6.182 5.243 49 HE2 PHE 6 HE1 PHE 6 -1.421 -2.677 5.674 50 HZ PHE 6 HZ PHE 6 -3.283 -4.094 6.440 51 H LEU 7 H LEU 7 -0.682 -8.397 1.769 52 HA LEU 7 HA LEU 7 -1.676 -9.357 4.180 53 HB2 LEU 7 HB2 LEU 7 -1.122 -10.963 1.690 54 HB3 LEU 7 HB3 LEU 7 -2.249 -11.384 2.979 55 HG LEU 7 HG LEU 7 -2.536 -8.994 1.160 56 HD11 LEU 7 HD11 LEU 7 -3.019 -11.730 0.629 57 HD12 LEU 7 HD12 LEU 7 -3.423 -10.331 -0.365 58 HD13 LEU 7 HD13 LEU 7 -4.582 -10.936 0.818 59 HD21 LEU 7 HD21 LEU 7 -4.373 -8.417 2.322 60 HD22 LEU 7 HD22 LEU 7 -3.599 -9.319 3.626 61 HD23 LEU 7 HD23 LEU 7 -4.833 -10.092 2.630 62 H LYS 8 H LYS 8 1.168 -10.432 2.343 63 HA LYS 8 HA LYS 8 1.934 -12.537 4.009 64 HB2 LYS 8 HB2 LYS 8 2.864 -11.601 1.684 65 HB3 LYS 8 HB3 LYS 8 4.063 -10.883 2.752 66 HG2 LYS 8 HG2 LYS 8 4.134 -13.361 3.703 67 HG3 LYS 8 HG3 LYS 8 3.585 -13.723 2.065 68 HD2 LYS 8 HD2 LYS 8 5.903 -11.883 2.478 69 HD3 LYS 8 HD3 LYS 8 6.139 -13.628 2.600 70 HE2 LYS 8 HE2 LYS 8 5.552 -13.984 0.373 71 HE3 LYS 8 HE3 LYS 8 4.733 -12.428 0.242 72 HZ1 LYS 8 HZ1 LYS 8 7.448 -13.074 -0.281 73 HZ2 LYS 8 HZ2 LYS 8 7.346 -11.837 0.868 74 HZ3 LYS 8 HZ3 LYS 8 6.599 -11.655 -0.639 75 H TYR 9 H TYR 9 2.516 -9.082 4.254 76 HA TYR 9 HA TYR 9 4.440 -9.235 6.341 77 HB2 TYR 9 HB2 TYR 9 4.360 -7.240 5.020 78 HB3 TYR 9 HB3 TYR 9 2.655 -6.995 5.384 79 HD1 TYR 9 HD1 TYR 9 5.693 -7.629 7.477 80 HD2 TYR 9 HD2 TYR 9 2.340 -5.129 6.694 81 HE1 TYR 9 HE1 TYR 9 6.312 -6.211 9.389 82 HE2 TYR 9 HE2 TYR 9 2.950 -3.703 8.604 83 HH TYR 9 HH TYR 9 5.647 -4.538 10.732 84 H ILE 10 H ILE 10 1.008 -8.257 6.393 85 HA ILE 10 HA ILE 10 0.792 -8.154 9.195 86 HB ILE 10 HB ILE 10 -1.639 -8.213 8.853 87 HG12 ILE 10 HG12 ILE 10 -1.057 -8.575 5.912 88 HG13 ILE 10 HG13 ILE 10 -1.505 -9.909 6.969 89 HG21 ILE 10 HG21 ILE 10 0.181 -6.403 7.441 90 HG22 ILE 10 HG22 ILE 10 -1.485 -6.363 6.866 91 HG23 ILE 10 HG23 ILE 10 -1.131 -6.047 8.564 92 HD11 ILE 10 HD11 ILE 10 -3.348 -8.849 5.594 93 HD12 ILE 10 HD12 ILE 10 -3.655 -9.045 7.320 94 HD13 ILE 10 HD13 ILE 10 -3.214 -7.463 6.677 95 H ALA 11 H ALA 11 0.851 -10.803 7.016 96 HA ALA 11 HA ALA 11 -0.678 -12.733 8.258 97 HB1 ALA 11 HB1 ALA 11 0.452 -13.058 6.109 98 HB2 ALA 11 HB2 ALA 11 2.005 -13.141 6.941 99 HB3 ALA 11 HB3 ALA 11 0.784 -14.382 7.226 100 H LYS 12 H LYS 12 2.399 -11.410 9.229 101 HA LYS 12 HA LYS 12 3.261 -13.386 11.002 102 HB2 LYS 12 HB2 LYS 12 4.657 -11.701 11.992 103 HB3 LYS 12 HB3 LYS 12 4.594 -11.410 10.259 104 HG2 LYS 12 HG2 LYS 12 2.823 -9.695 10.703 105 HG3 LYS 12 HG3 LYS 12 3.156 -9.899 12.425 106 HD2 LYS 12 HD2 LYS 12 5.499 -9.421 10.692 107 HD3 LYS 12 HD3 LYS 12 4.380 -8.068 10.878 108 HE2 LYS 12 HE2 LYS 12 5.689 -7.662 12.686 109 HE3 LYS 12 HE3 LYS 12 4.570 -8.799 13.435 110 HZ1 LYS 12 HZ1 LYS 12 7.265 -9.042 13.401 111 HZ2 LYS 12 HZ2 LYS 12 6.798 -10.074 12.145 112 HZ3 LYS 12 HZ3 LYS 12 6.176 -10.302 13.701 113 H TYR 13 H TYR 13 0.869 -10.854 11.374 114 HA TYR 13 HA TYR 13 0.603 -11.041 14.192 115 HB2 TYR 13 HB2 TYR 13 -1.387 -10.076 12.127 116 HB3 TYR 13 HB3 TYR 13 -1.506 -9.808 13.862 117 HD1 TYR 13 HD2 TYR 13 0.697 -8.692 14.907 118 HD2 TYR 13 HD1 TYR 13 -0.535 -8.360 10.848 119 HE1 TYR 13 HE2 TYR 13 2.015 -6.627 14.682 120 HE2 TYR 13 HE1 TYR 13 0.780 -6.295 10.611 121 HH TYR 13 HH TYR 13 3.093 -5.398 12.181 122 H GLY 14 H GLY 14 -0.582 -12.935 11.557 123 HA2 GLY 14 HA2 GLY 14 -1.235 -15.233 12.460 124 HA3 GLY 14 HA3 GLY 14 -2.444 -14.336 13.365 125 H LYS 15 H LYS 15 -3.818 -15.946 12.160 126 HA LYS 15 HA LYS 15 -4.319 -15.200 9.379 127 HB2 LYS 15 HB2 LYS 15 -5.621 -17.197 9.213 128 HB3 LYS 15 HB3 LYS 15 -4.139 -17.609 10.067 129 HG2 LYS 15 HG2 LYS 15 -5.322 -17.546 12.189 130 HG3 LYS 15 HG3 LYS 15 -6.809 -17.083 11.358 131 HD2 LYS 15 HD2 LYS 15 -5.372 -19.575 10.548 132 HD3 LYS 15 HD3 LYS 15 -6.385 -19.580 11.994 133 HE2 LYS 15 HE2 LYS 15 -8.243 -18.668 10.581 134 HE3 LYS 15 HE3 LYS 15 -7.216 -18.928 9.171 135 HZ1 LYS 15 HZ1 LYS 15 -7.071 -21.319 10.028 136 HZ2 LYS 15 HZ2 LYS 15 -8.507 -20.833 9.279 137 HZ3 LYS 15 HZ3 LYS 15 -8.425 -20.934 10.966 138 H LYS 16 H LYS 16 -5.034 -13.538 11.779 139 HA LYS 16 HA LYS 16 -7.957 -13.486 11.526 140 HB2 LYS 16 HB2 LYS 16 -6.127 -12.117 13.506 141 HB3 LYS 16 HB3 LYS 16 -7.880 -11.972 13.491 142 HG2 LYS 16 HG2 LYS 16 -7.774 -14.593 13.635 143 HG3 LYS 16 HG3 LYS 16 -6.170 -14.267 14.296 144 HD2 LYS 16 HD2 LYS 16 -8.726 -13.037 15.325 145 HD3 LYS 16 HD3 LYS 16 -7.948 -14.459 16.025 146 HE2 LYS 16 HE2 LYS 16 -5.853 -12.902 16.125 147 HE3 LYS 16 HE3 LYS 16 -7.047 -11.610 16.012 148 HZ1 LYS 16 HZ1 LYS 16 -6.521 -12.140 18.310 149 HZ2 LYS 16 HZ2 LYS 16 -7.007 -13.743 18.078 150 HZ3 LYS 16 HZ3 LYS 16 -8.141 -12.493 17.974 151 H ALA 17 H ALA 17 -5.068 -11.560 11.016 152 HA ALA 17 HA ALA 17 -6.556 -9.213 10.222 153 HB1 ALA 17 HB1 ALA 17 -4.645 -8.317 10.933 154 HB2 ALA 17 HB2 ALA 17 -3.791 -9.857 10.823 155 HB3 ALA 17 HB3 ALA 17 -3.949 -8.832 9.396 156 H VAL 18 H VAL 18 -5.003 -11.939 8.691 157 HA VAL 18 HA VAL 18 -4.797 -10.939 6.076 158 HB VAL 18 HB VAL 18 -3.705 -13.020 6.807 159 HG11 VAL 18 HG11 VAL 18 -5.558 -13.885 8.177 160 HG12 VAL 18 HG12 VAL 18 -6.467 -14.228 6.704 161 HG13 VAL 18 HG13 VAL 18 -4.958 -15.082 7.030 162 HG21 VAL 18 HG21 VAL 18 -3.829 -12.760 4.472 163 HG22 VAL 18 HG22 VAL 18 -4.371 -14.410 4.780 164 HG23 VAL 18 HG23 VAL 18 -5.550 -13.144 4.437 165 H SER 19 H SER 19 -7.483 -12.339 7.841 166 HA SER 19 HA SER 19 -9.178 -12.706 5.580 167 HB2 SER 19 HB2 SER 19 -9.434 -13.891 7.785 168 HB3 SER 19 HB3 SER 19 -10.019 -12.373 8.468 169 HG SER 19 HG SER 19 -11.349 -14.201 7.006 170 H ALA 20 H ALA 20 -9.111 -10.258 8.168 171 HA ALA 20 HA ALA 20 -11.181 -8.647 7.312 172 HB1 ALA 20 HB1 ALA 20 -9.766 -6.761 8.372 173 HB2 ALA 20 HB2 ALA 20 -10.307 -8.097 9.389 174 HB3 ALA 20 HB3 ALA 20 -8.648 -8.058 8.793 175 H ALA 21 H ALA 21 -7.834 -8.721 6.196 176 HA ALA 21 HA ALA 21 -7.876 -6.409 4.614 177 HB1 ALA 21 HB1 ALA 21 -6.286 -8.938 4.201 178 HB2 ALA 21 HB2 ALA 21 -5.951 -7.375 3.456 179 HB3 ALA 21 HB3 ALA 21 -5.813 -7.566 5.204 180 H TRP 22 H TRP 22 -8.816 -9.736 3.898 181 HA TRP 22 HA TRP 22 -9.286 -9.288 1.123 182 HB2 TRP 22 HB2 TRP 22 -9.897 -11.483 3.059 183 HB3 TRP 22 HB3 TRP 22 -10.723 -11.469 1.503 184 HD1 TRP 22 HD1 TRP 22 -7.629 -12.671 3.089 185 HE1 TRP 22 HE1 TRP 22 -5.935 -13.448 1.314 186 HE3 TRP 22 HE3 TRP 22 -9.834 -10.671 -1.067 187 HZ2 TRP 22 HZ2 TRP 22 -5.580 -13.240 -1.479 188 HZ3 TRP 22 HZ3 TRP 22 -8.753 -11.005 -3.252 189 HH2 TRP 22 HH2 TRP 22 -6.670 -12.263 -3.451 190 H LYS 23 H LYS 23 -11.376 -9.400 3.985 191 HA LYS 23 HA LYS 23 -13.825 -9.067 2.650 192 HB2 LYS 23 HB2 LYS 23 -13.233 -9.631 5.164 193 HB3 LYS 23 HB3 LYS 23 -13.411 -7.893 5.366 194 HG2 LYS 23 HG2 LYS 23 -15.674 -8.229 4.158 195 HG3 LYS 23 HG3 LYS 23 -15.462 -9.925 4.599 196 HD2 LYS 23 HD2 LYS 23 -14.959 -8.891 6.972 197 HD3 LYS 23 HD3 LYS 23 -15.908 -7.545 6.336 198 HE2 LYS 23 HE2 LYS 23 -17.345 -9.080 7.536 199 HE3 LYS 23 HE3 LYS 23 -17.737 -9.106 5.818 200 HZ1 LYS 23 HZ1 LYS 23 -17.106 -11.233 5.624 201 HZ2 LYS 23 HZ2 LYS 23 -17.315 -11.293 7.301 202 HZ3 LYS 23 HZ3 LYS 23 -15.772 -11.059 6.649 203 H TYR 24 H TYR 24 -11.719 -6.663 4.221 204 HA TYR 24 HA TYR 24 -13.271 -4.516 2.984 205 HB2 TYR 24 HB2 TYR 24 -10.965 -4.257 4.917 206 HB3 TYR 24 HB3 TYR 24 -12.135 -3.018 4.479 207 HD1 TYR 24 HD1 TYR 24 -14.667 -4.535 4.662 208 HD2 TYR 24 HD2 TYR 24 -11.263 -4.542 7.214 209 HE1 TYR 24 HE1 TYR 24 -16.092 -5.209 6.550 210 HE2 TYR 24 HE2 TYR 24 -12.678 -5.217 9.109 211 HH TYR 24 HH TYR 24 -15.267 -4.935 9.664 212 H LYS 25 H LYS 25 -11.435 -6.319 1.493 213 HA LYS 25 HA LYS 25 -9.036 -5.061 0.821 214 HB2 LYS 25 HB2 LYS 25 -9.520 -7.347 0.151 215 HB3 LYS 25 HB3 LYS 25 -10.840 -6.798 -0.873 216 HG2 LYS 25 HG2 LYS 25 -9.243 -5.612 -2.295 217 HG3 LYS 25 HG3 LYS 25 -7.920 -6.175 -1.270 218 HD2 LYS 25 HD2 LYS 25 -7.946 -7.664 -3.083 219 HD3 LYS 25 HD3 LYS 25 -8.761 -8.533 -1.780 220 HE2 LYS 25 HE2 LYS 25 -10.803 -8.413 -2.794 221 HE3 LYS 25 HE3 LYS 25 -10.432 -6.894 -3.607 222 HZ1 LYS 25 HZ1 LYS 25 -9.189 -8.011 -5.242 223 HZ2 LYS 25 HZ2 LYS 25 -10.606 -8.916 -5.065 224 HZ3 LYS 25 HZ3 LYS 25 -9.163 -9.460 -4.369 225 H GLY 26 H GLY 26 -12.299 -4.296 -0.033 226 HA2 GLY 26 HA2 GLY 26 -11.855 -2.854 -2.410 227 HA3 GLY 26 HA3 GLY 26 -13.211 -2.625 -1.316 228 H LYS 27 H LYS 27 -11.376 -1.997 0.934 229 HA LYS 27 HA LYS 27 -10.815 0.781 0.155 230 HB2 LYS 27 HB2 LYS 27 -10.843 1.180 2.659 231 HB3 LYS 27 HB3 LYS 27 -12.383 0.740 1.931 232 HG2 LYS 27 HG2 LYS 27 -12.087 -1.563 2.695 233 HG3 LYS 27 HG3 LYS 27 -10.545 -1.117 3.430 234 HD2 LYS 27 HD2 LYS 27 -12.096 -1.071 5.195 235 HD3 LYS 27 HD3 LYS 27 -11.867 0.621 4.747 236 HE2 LYS 27 HE2 LYS 27 -13.918 0.074 3.152 237 HE3 LYS 27 HE3 LYS 27 -14.228 -1.145 4.387 238 HZ1 LYS 27 HZ1 LYS 27 -13.699 1.111 5.813 239 HZ2 LYS 27 HZ2 LYS 27 -15.236 0.482 5.493 240 HZ3 LYS 27 HZ3 LYS 27 -14.594 1.692 4.500 241 H VAL 28 H VAL 28 -9.372 -2.145 1.251 242 HA VAL 28 HA VAL 28 -7.044 -1.171 2.471 243 HB VAL 28 HB VAL 28 -7.410 -3.715 0.883 244 HG11 VAL 28 HG11 VAL 28 -5.498 -4.392 2.549 245 HG12 VAL 28 HG12 VAL 28 -5.123 -3.578 1.029 246 HG13 VAL 28 HG13 VAL 28 -5.165 -2.661 2.535 247 HG21 VAL 28 HG21 VAL 28 -8.660 -2.971 3.210 248 HG22 VAL 28 HG22 VAL 28 -8.403 -4.629 2.667 249 HG23 VAL 28 HG23 VAL 28 -7.267 -3.884 3.791 250 H LEU 29 H LEU 29 -7.543 -2.232 -0.898 251 HA LEU 29 HA LEU 29 -5.030 -1.671 -1.894 252 HB2 LEU 29 HB2 LEU 29 -7.759 -1.748 -3.080 253 HB3 LEU 29 HB3 LEU 29 -6.436 -1.109 -4.055 254 HG LEU 29 HG LEU 29 -6.821 -3.441 -4.577 255 HD11 LEU 29 HD11 LEU 29 -4.286 -3.185 -2.970 256 HD12 LEU 29 HD12 LEU 29 -4.510 -2.515 -4.585 257 HD13 LEU 29 HD13 LEU 29 -4.587 -4.259 -4.337 258 HD21 LEU 29 HD21 LEU 29 -6.371 -5.174 -2.847 259 HD22 LEU 29 HD22 LEU 29 -7.826 -4.223 -2.547 260 HD23 LEU 29 HD23 LEU 29 -6.352 -3.894 -1.634 261 H GLU 30 H GLU 30 -7.627 0.513 -1.105 262 HA GLU 30 HA GLU 30 -6.561 2.764 -2.514 263 HB2 GLU 30 HB2 GLU 30 -8.678 2.456 -0.395 264 HB3 GLU 30 HB3 GLU 30 -8.192 4.033 -0.999 265 HG2 GLU 30 HG2 GLU 30 -8.687 2.995 -3.329 266 HG3 GLU 30 HG3 GLU 30 -9.633 1.832 -2.401 267 H TRP 31 H TRP 31 -6.296 1.484 0.743 268 HA TRP 31 HA TRP 31 -4.994 3.769 1.847 269 HB2 TRP 31 HB2 TRP 31 -5.333 0.918 2.750 270 HB3 TRP 31 HB3 TRP 31 -4.324 2.047 3.650 271 HD1 TRP 31 HD1 TRP 31 -6.243 4.615 3.346 272 HE1 TRP 31 HE1 TRP 31 -8.420 4.698 4.717 273 HE3 TRP 31 HE3 TRP 31 -6.797 -0.378 4.290 274 HZ2 TRP 31 HZ2 TRP 31 -10.144 2.885 6.025 275 HZ3 TRP 31 HZ3 TRP 31 -8.737 -1.121 5.608 276 HH2 TRP 31 HH2 TRP 31 -10.374 0.478 6.457 277 H LEU 32 H LEU 32 -3.945 0.956 0.096 278 HA LEU 32 HA LEU 32 -1.177 1.188 0.812 279 HB2 LEU 32 HB2 LEU 32 -2.357 -0.258 -1.550 280 HB3 LEU 32 HB3 LEU 32 -0.785 -0.535 -0.803 281 HG LEU 32 HG LEU 32 -3.267 -0.955 0.806 282 HD11 LEU 32 HD11 LEU 32 -2.839 -2.256 -1.639 283 HD12 LEU 32 HD12 LEU 32 -3.984 -2.690 -0.371 284 HD13 LEU 32 HD13 LEU 32 -2.372 -3.404 -0.384 285 HD21 LEU 32 HD21 LEU 32 -1.477 -2.946 1.345 286 HD22 LEU 32 HD22 LEU 32 -1.613 -1.430 2.238 287 HD23 LEU 32 HD23 LEU 32 -0.416 -1.593 0.952 288 H ASN 33 H ASN 33 -3.253 2.615 -1.541 289 HA ASN 33 HA ASN 33 -1.036 3.509 -3.206 290 HB2 ASN 33 HB2 ASN 33 -3.127 2.768 -4.285 291 HB3 ASN 33 HB3 ASN 33 -4.003 4.051 -3.454 292 HD21 ASN 33 HD21 ASN 33 -4.257 5.883 -4.505 293 HD22 ASN 33 HD22 ASN 33 -3.327 6.412 -5.862 294 H VAL 34 H VAL 34 -3.605 4.926 -1.199 295 HA VAL 34 HA VAL 34 -2.600 7.595 -1.470 296 HB VAL 34 HB VAL 34 -4.270 8.233 0.150 297 HG11 VAL 34 HG11 VAL 34 -5.861 8.051 -1.392 298 HG12 VAL 34 HG12 VAL 34 -4.806 6.939 -2.267 299 HG13 VAL 34 HG13 VAL 34 -5.997 6.313 -1.126 300 HG21 VAL 34 HG21 VAL 34 -4.048 5.424 0.935 301 HG22 VAL 34 HG22 VAL 34 -4.528 6.832 1.882 302 HG23 VAL 34 HG23 VAL 34 -5.707 6.017 0.854 303 H GLY 35 H GLY 35 -2.016 4.934 0.674 304 HA2 GLY 35 HA2 GLY 35 -0.783 6.586 2.717 305 HA3 GLY 35 HA3 GLY 35 -0.901 4.833 2.721 306 HA PRO 36 HA PRO 36 3.402 6.420 1.437 307 HB2 PRO 36 HB2 PRO 36 4.723 5.902 3.751 308 HB3 PRO 36 HB3 PRO 36 3.959 7.459 3.408 309 HG2 PRO 36 HG2 PRO 36 2.945 5.172 5.053 310 HG3 PRO 36 HG3 PRO 36 2.888 6.910 5.398 311 HD2 PRO 36 HD2 PRO 36 0.755 5.544 4.441 312 HD3 PRO 36 HD3 PRO 36 1.056 7.247 4.041 313 H THR 37 H THR 37 2.718 3.769 3.727 314 HA THR 37 HA THR 37 3.744 1.837 1.821 315 HB THR 37 HB THR 37 5.249 0.794 3.545 316 HG1 THR 37 HG1 THR 37 5.556 1.776 5.417 317 HG21 THR 37 HG21 THR 37 6.213 3.567 2.944 318 HG22 THR 37 HG22 THR 37 5.930 2.416 1.638 319 HG23 THR 37 HG23 THR 37 7.101 2.045 2.903 320 H LEU 38 H LEU 38 3.790 -0.427 3.132 321 HA LEU 38 HA LEU 38 1.100 -1.020 3.673 322 HB2 LEU 38 HB2 LEU 38 3.469 -2.647 4.564 323 HB3 LEU 38 HB3 LEU 38 1.836 -3.219 4.225 324 HG LEU 38 HG LEU 38 3.763 -2.147 2.165 325 HD11 LEU 38 HD11 LEU 38 4.723 -4.158 2.517 326 HD12 LEU 38 HD12 LEU 38 3.394 -4.719 1.504 327 HD13 LEU 38 HD13 LEU 38 3.278 -4.844 3.259 328 HD21 LEU 38 HD21 LEU 38 1.733 -3.704 1.014 329 HD22 LEU 38 HD22 LEU 38 1.976 -1.963 0.862 330 HD23 LEU 38 HD23 LEU 38 0.931 -2.601 2.133 331 H GLU 39 H GLU 39 3.809 -0.268 5.785 332 HA GLU 39 HA GLU 39 2.814 -1.041 8.240 333 HB2 GLU 39 HB2 GLU 39 5.078 0.057 7.606 334 HB3 GLU 39 HB3 GLU 39 4.250 1.576 7.915 335 HG2 GLU 39 HG2 GLU 39 3.817 0.942 10.189 336 HG3 GLU 39 HG3 GLU 39 4.473 -0.669 9.905 337 H TRP 40 H TRP 40 2.306 2.058 6.572 338 HA TRP 40 HA TRP 40 0.676 3.222 8.543 339 HB2 TRP 40 HB2 TRP 40 1.753 4.485 6.703 340 HB3 TRP 40 HB3 TRP 40 0.642 3.735 5.561 341 HD1 TRP 40 HD1 TRP 40 0.651 6.230 8.498 342 HE1 TRP 40 HE1 TRP 40 -1.430 7.730 8.287 343 HE3 TRP 40 HE3 TRP 40 -1.639 3.894 4.569 344 HZ2 TRP 40 HZ2 TRP 40 -3.738 7.900 6.671 345 HZ3 TRP 40 HZ3 TRP 40 -3.781 4.788 3.752 346 HH2 TRP 40 HH2 TRP 40 -4.807 6.749 4.783 347 H VAL 41 H VAL 41 -0.210 1.528 5.537 348 HA VAL 41 HA VAL 41 -2.959 1.685 5.728 349 HB VAL 41 HB VAL 41 -1.389 -0.692 4.719 350 HG11 VAL 41 HG11 VAL 41 -3.351 -1.609 4.238 351 HG12 VAL 41 HG12 VAL 41 -4.185 -0.231 4.959 352 HG13 VAL 41 HG13 VAL 41 -3.762 -0.210 3.246 353 HG21 VAL 41 HG21 VAL 41 -1.858 2.007 3.633 354 HG22 VAL 41 HG22 VAL 41 -0.548 0.868 3.320 355 HG23 VAL 41 HG23 VAL 41 -2.100 0.672 2.506 356 H TRP 42 H TRP 42 -0.843 -0.860 7.040 357 HA TRP 42 HA TRP 42 -2.780 -2.478 8.178 358 HB2 TRP 42 HB2 TRP 42 -0.560 -3.299 8.127 359 HB3 TRP 42 HB3 TRP 42 0.063 -1.895 8.989 360 HD1 TRP 42 HD1 TRP 42 0.784 -2.565 11.339 361 HE1 TRP 42 HE1 TRP 42 -0.090 -4.154 13.165 362 HE3 TRP 42 HE3 TRP 42 -3.248 -4.504 8.865 363 HZ2 TRP 42 HZ2 TRP 42 -2.209 -5.988 13.511 364 HZ3 TRP 42 HZ3 TRP 42 -4.646 -6.171 10.014 365 HH2 TRP 42 HH2 TRP 42 -4.136 -6.897 12.289 366 H GLN 43 H GLN 43 -1.256 0.432 9.473 367 HA GLN 43 HA GLN 43 -2.374 0.273 12.061 368 HB2 GLN 43 HB2 GLN 43 -1.261 2.549 10.436 369 HB3 GLN 43 HB3 GLN 43 -1.920 2.802 12.046 370 HG2 GLN 43 HG2 GLN 43 0.177 0.726 11.602 371 HG3 GLN 43 HG3 GLN 43 0.623 2.426 11.730 372 HE21 GLN 43 HE21 GLN 43 1.341 0.294 13.506 373 HE22 GLN 43 HE22 GLN 43 0.699 0.692 15.060 374 H LYS 44 H LYS 44 -3.653 1.265 9.014 375 HA LYS 44 HA LYS 44 -5.894 2.687 10.199 376 HB2 LYS 44 HB2 LYS 44 -4.924 2.200 7.410 377 HB3 LYS 44 HB3 LYS 44 -6.600 2.669 7.665 378 HG2 LYS 44 HG2 LYS 44 -4.422 4.269 8.925 379 HG3 LYS 44 HG3 LYS 44 -4.780 4.473 7.208 380 HD2 LYS 44 HD2 LYS 44 -7.248 4.678 8.050 381 HD3 LYS 44 HD3 LYS 44 -6.481 5.073 9.590 382 HE2 LYS 44 HE2 LYS 44 -5.094 6.753 8.199 383 HE3 LYS 44 HE3 LYS 44 -6.351 6.541 6.980 384 HZ1 LYS 44 HZ1 LYS 44 -6.439 8.301 9.033 385 HZ2 LYS 44 HZ2 LYS 44 -7.384 7.026 9.618 386 HZ3 LYS 44 HZ3 LYS 44 -7.779 7.767 8.149 387 H LEU 45 H LEU 45 -5.442 -0.167 8.110 388 HA LEU 45 HA LEU 45 -8.099 -1.033 8.138 389 HB2 LEU 45 HB2 LEU 45 -6.708 -1.998 6.531 390 HB3 LEU 45 HB3 LEU 45 -5.481 -2.429 7.720 391 HG LEU 45 HG LEU 45 -7.048 -4.148 8.615 392 HD11 LEU 45 HD11 LEU 45 -8.997 -2.821 7.334 393 HD12 LEU 45 HD12 LEU 45 -9.111 -4.522 7.783 394 HD13 LEU 45 HD13 LEU 45 -8.651 -4.072 6.141 395 HD21 LEU 45 HD21 LEU 45 -6.887 -5.017 5.858 396 HD22 LEU 45 HD22 LEU 45 -6.034 -5.614 7.282 397 HD23 LEU 45 HD23 LEU 45 -5.400 -4.231 6.388 398 H LYS 46 H LYS 46 -5.443 -1.656 10.367 399 HA LYS 46 HA LYS 46 -6.554 -3.699 11.886 400 HB2 LYS 46 HB2 LYS 46 -4.229 -2.895 12.111 401 HB3 LYS 46 HB3 LYS 46 -4.822 -1.420 12.864 402 HG2 LYS 46 HG2 LYS 46 -5.877 -2.932 14.619 403 HG3 LYS 46 HG3 LYS 46 -4.872 -4.218 13.945 404 HD2 LYS 46 HD2 LYS 46 -3.341 -1.808 14.417 405 HD3 LYS 46 HD3 LYS 46 -4.139 -2.366 15.889 406 HE2 LYS 46 HE2 LYS 46 -3.218 -4.701 15.122 407 HE3 LYS 46 HE3 LYS 46 -2.073 -3.716 14.212 408 HZ1 LYS 46 HZ1 LYS 46 -1.546 -4.458 16.637 409 HZ2 LYS 46 HZ2 LYS 46 -2.502 -3.128 17.055 410 HZ3 LYS 46 HZ3 LYS 46 -1.117 -2.909 16.109 411 H LYS 47 H LYS 47 -7.345 -0.328 11.769 412 HA LYS 47 HA LYS 47 -8.729 -0.231 14.272 413 HB2 LYS 47 HB2 LYS 47 -7.940 1.618 12.275 414 HB3 LYS 47 HB3 LYS 47 -9.685 1.755 12.439 415 HG2 LYS 47 HG2 LYS 47 -9.491 2.223 14.780 416 HG3 LYS 47 HG3 LYS 47 -7.757 1.896 14.746 417 HD2 LYS 47 HD2 LYS 47 -7.799 3.785 12.897 418 HD3 LYS 47 HD3 LYS 47 -9.273 4.256 13.748 419 HE2 LYS 47 HE2 LYS 47 -7.448 5.477 14.695 420 HE3 LYS 47 HE3 LYS 47 -7.959 4.264 15.868 421 HZ1 LYS 47 HZ1 LYS 47 -5.723 3.789 13.989 422 HZ2 LYS 47 HZ2 LYS 47 -6.099 2.943 15.405 423 HZ3 LYS 47 HZ3 LYS 47 -5.488 4.518 15.498 424 H ILE 48 H ILE 48 -9.912 -0.074 10.907 425 HA ILE 48 HA ILE 48 -12.619 -0.359 11.485 426 HB ILE 48 HB ILE 48 -11.843 0.320 9.281 427 HG12 ILE 48 HG12 ILE 48 -13.349 -2.291 9.054 428 HG13 ILE 48 HG13 ILE 48 -14.083 -0.782 9.587 429 HG21 ILE 48 HG21 ILE 48 -10.859 -2.518 9.021 430 HG22 ILE 48 HG22 ILE 48 -10.921 -1.341 7.710 431 HG23 ILE 48 HG23 ILE 48 -9.867 -1.062 9.095 432 HD11 ILE 48 HD11 ILE 48 -14.023 -1.680 7.024 433 HD12 ILE 48 HD12 ILE 48 -14.249 0.002 7.505 434 HD13 ILE 48 HD13 ILE 48 -12.647 -0.578 7.052 435 H ALA 49 H ALA 49 -10.096 -2.763 11.211 436 HA ALA 49 HA ALA 49 -11.957 -4.982 11.248 437 HB1 ALA 49 HB1 ALA 49 -9.506 -6.083 11.722 438 HB2 ALA 49 HB2 ALA 49 -10.202 -5.803 10.125 439 HB3 ALA 49 HB3 ALA 49 -9.085 -4.628 10.819 440 H GLY 50 H GLY 50 -10.150 -3.091 13.515 441 HA2 GLY 50 HA2 GLY 50 -10.042 -3.136 15.807 442 HA3 GLY 50 HA3 GLY 50 -11.507 -4.104 15.751 443 H LEU 51 H LEU 51 -8.056 -4.546 14.955 444 HA LEU 51 HA LEU 51 -8.200 -7.184 16.247 445 HB2 LEU 51 HB2 LEU 51 -5.953 -6.302 14.482 446 HB3 LEU 51 HB3 LEU 51 -6.509 -7.935 14.842 447 HG LEU 51 HG LEU 51 -8.020 -5.958 13.137 448 HD11 LEU 51 HD11 LEU 51 -6.024 -8.080 12.449 449 HD12 LEU 51 HD12 LEU 51 -6.134 -6.421 11.863 450 HD13 LEU 51 HD13 LEU 51 -7.298 -7.628 11.317 451 HD21 LEU 51 HD21 LEU 51 -8.475 -8.775 14.005 452 HD22 LEU 51 HD22 LEU 51 -9.036 -8.258 12.415 453 HD23 LEU 51 HD23 LEU 51 -9.619 -7.440 13.865 Start of MODEL 17 1 H1 MET 1 H MET 1 1.675 0.109 0.468 2 HA MET 1 HA MET 1 2.173 0.690 -2.105 3 HB2 MET 1 HB2 MET 1 3.925 0.300 -0.420 4 HB3 MET 1 HB3 MET 1 3.645 -1.433 -0.534 5 HG2 MET 1 HG2 MET 1 5.578 -0.928 -1.810 6 HG3 MET 1 HG3 MET 1 4.278 -1.306 -2.938 7 HE1 MET 1 HE1 MET 1 6.194 1.320 -5.004 8 HE2 MET 1 HE2 MET 1 7.074 0.398 -3.785 9 HE3 MET 1 HE3 MET 1 5.818 -0.384 -4.746 10 H SER 2 H SER 2 2.137 -2.722 -1.060 11 HA SER 2 HA SER 2 1.064 -3.414 -3.717 12 HB2 SER 2 HB2 SER 2 3.240 -4.643 -2.089 13 HB3 SER 2 HB3 SER 2 2.224 -5.719 -3.049 14 HG SER 2 HG SER 2 3.406 -5.138 -4.673 15 H TRP 3 H TRP 3 0.089 -5.742 -3.624 16 HA TRP 3 HA TRP 3 -1.862 -5.711 -1.440 17 HB2 TRP 3 HB2 TRP 3 -2.871 -5.725 -3.615 18 HB3 TRP 3 HB3 TRP 3 -1.858 -7.067 -4.140 19 HD1 TRP 3 HD1 TRP 3 -3.283 -9.170 -4.350 20 HE1 TRP 3 HE1 TRP 3 -5.197 -10.254 -3.014 21 HE3 TRP 3 HE3 TRP 3 -3.859 -5.611 -0.726 22 HZ2 TRP 3 HZ2 TRP 3 -6.747 -9.676 -0.726 23 HZ3 TRP 3 HZ3 TRP 3 -5.580 -5.952 0.999 24 HH2 TRP 3 HH2 TRP 3 -6.993 -7.943 0.997 25 H LEU 4 H LEU 4 -0.009 -8.143 -3.284 26 HA LEU 4 HA LEU 4 -0.433 -10.254 -1.488 27 HB2 LEU 4 HB2 LEU 4 1.892 -9.814 -3.356 28 HB3 LEU 4 HB3 LEU 4 1.453 -11.345 -2.601 29 HG LEU 4 HG LEU 4 -0.465 -9.921 -4.413 30 HD11 LEU 4 HD11 LEU 4 1.971 -10.459 -5.350 31 HD12 LEU 4 HD12 LEU 4 0.511 -10.662 -6.318 32 HD13 LEU 4 HD13 LEU 4 1.248 -12.058 -5.532 33 HD21 LEU 4 HD21 LEU 4 -1.659 -11.644 -3.591 34 HD22 LEU 4 HD22 LEU 4 -0.223 -12.553 -3.119 35 HD23 LEU 4 HD23 LEU 4 -0.770 -12.576 -4.796 36 H ASN 5 H ASN 5 2.066 -7.777 -1.638 37 HA ASN 5 HA ASN 5 3.699 -8.906 0.407 38 HB2 ASN 5 HB2 ASN 5 4.605 -7.343 -1.257 39 HB3 ASN 5 HB3 ASN 5 3.569 -6.065 -0.630 40 HD21 ASN 5 HD21 ASN 5 5.587 -4.914 -0.362 41 HD22 ASN 5 HD22 ASN 5 6.530 -5.182 1.061 42 H PHE 6 H PHE 6 0.892 -6.877 0.373 43 HA PHE 6 HA PHE 6 1.216 -5.860 3.034 44 HB2 PHE 6 HB2 PHE 6 -0.086 -4.557 1.497 45 HB3 PHE 6 HB3 PHE 6 -1.142 -5.922 1.147 46 HD1 PHE 6 HD2 PHE 6 -0.197 -3.451 3.714 47 HD2 PHE 6 HD1 PHE 6 -3.001 -6.421 2.518 48 HE1 PHE 6 HE2 PHE 6 -1.731 -2.713 5.490 49 HE2 PHE 6 HE1 PHE 6 -4.540 -5.688 4.292 50 HZ PHE 6 HZ PHE 6 -3.905 -3.832 5.782 51 H LEU 7 H LEU 7 -0.379 -8.607 1.557 52 HA LEU 7 HA LEU 7 -1.780 -9.358 3.959 53 HB2 LEU 7 HB2 LEU 7 -1.291 -10.902 1.416 54 HB3 LEU 7 HB3 LEU 7 -2.400 -11.368 2.704 55 HG LEU 7 HG LEU 7 -2.670 -8.915 0.968 56 HD11 LEU 7 HD11 LEU 7 -3.415 -11.666 0.550 57 HD12 LEU 7 HD12 LEU 7 -3.542 -10.288 -0.542 58 HD13 LEU 7 HD13 LEU 7 -4.839 -10.626 0.603 59 HD21 LEU 7 HD21 LEU 7 -4.073 -9.894 3.377 60 HD22 LEU 7 HD22 LEU 7 -5.086 -9.281 2.069 61 HD23 LEU 7 HD23 LEU 7 -3.845 -8.249 2.783 62 H LYS 8 H LYS 8 1.059 -10.519 2.178 63 HA LYS 8 HA LYS 8 1.652 -12.700 3.848 64 HB2 LYS 8 HB2 LYS 8 3.758 -12.788 2.760 65 HB3 LYS 8 HB3 LYS 8 2.610 -12.219 1.555 66 HG2 LYS 8 HG2 LYS 8 4.253 -10.722 1.167 67 HG3 LYS 8 HG3 LYS 8 3.441 -9.859 2.475 68 HD2 LYS 8 HD2 LYS 8 5.150 -10.177 3.911 69 HD3 LYS 8 HD3 LYS 8 5.456 -11.819 3.340 70 HE2 LYS 8 HE2 LYS 8 6.120 -9.569 1.518 71 HE3 LYS 8 HE3 LYS 8 7.162 -9.826 2.917 72 HZ1 LYS 8 HZ1 LYS 8 6.647 -11.631 0.644 73 HZ2 LYS 8 HZ2 LYS 8 7.193 -12.249 2.120 74 HZ3 LYS 8 HZ3 LYS 8 8.128 -11.118 1.279 75 H TYR 9 H TYR 9 2.394 -9.288 4.092 76 HA TYR 9 HA TYR 9 4.342 -9.535 6.155 77 HB2 TYR 9 HB2 TYR 9 4.346 -7.542 4.822 78 HB3 TYR 9 HB3 TYR 9 2.664 -7.206 5.214 79 HD1 TYR 9 HD1 TYR 9 5.806 -7.889 7.135 80 HD2 TYR 9 HD2 TYR 9 2.365 -5.434 6.647 81 HE1 TYR 9 HE1 TYR 9 6.532 -6.503 9.033 82 HE2 TYR 9 HE2 TYR 9 3.082 -4.041 8.543 83 HH TYR 9 HH TYR 9 4.606 -4.475 10.671 84 H ILE 10 H ILE 10 1.038 -8.191 6.299 85 HA ILE 10 HA ILE 10 0.851 -8.170 9.087 86 HB ILE 10 HB ILE 10 -1.551 -7.940 8.805 87 HG12 ILE 10 HG12 ILE 10 -1.914 -7.931 6.020 88 HG13 ILE 10 HG13 ILE 10 -1.024 -9.409 6.371 89 HG21 ILE 10 HG21 ILE 10 0.241 -6.151 8.064 90 HG22 ILE 10 HG22 ILE 10 -0.494 -6.414 6.484 91 HG23 ILE 10 HG23 ILE 10 -1.485 -5.871 7.838 92 HD11 ILE 10 HD11 ILE 10 -3.488 -9.673 6.360 93 HD12 ILE 10 HD12 ILE 10 -2.724 -10.144 7.879 94 HD13 ILE 10 HD13 ILE 10 -3.567 -8.600 7.757 95 H ALA 11 H ALA 11 0.559 -10.760 6.833 96 HA ALA 11 HA ALA 11 -1.090 -12.552 8.153 97 HB1 ALA 11 HB1 ALA 11 1.305 -12.971 6.391 98 HB2 ALA 11 HB2 ALA 11 0.371 -14.321 7.038 99 HB3 ALA 11 HB3 ALA 11 -0.404 -13.136 5.988 100 H LYS 12 H LYS 12 2.237 -11.675 8.807 101 HA LYS 12 HA LYS 12 3.012 -13.777 10.451 102 HB2 LYS 12 HB2 LYS 12 4.709 -12.337 11.296 103 HB3 LYS 12 HB3 LYS 12 4.453 -11.883 9.616 104 HG2 LYS 12 HG2 LYS 12 2.844 -10.108 10.595 105 HG3 LYS 12 HG3 LYS 12 3.706 -10.410 12.105 106 HD2 LYS 12 HD2 LYS 12 5.796 -10.124 10.445 107 HD3 LYS 12 HD3 LYS 12 4.623 -9.094 9.620 108 HE2 LYS 12 HE2 LYS 12 5.702 -7.637 11.082 109 HE3 LYS 12 HE3 LYS 12 4.218 -8.056 11.936 110 HZ1 LYS 12 HZ1 LYS 12 6.244 -8.115 13.334 111 HZ2 LYS 12 HZ2 LYS 12 6.826 -9.395 12.394 112 HZ3 LYS 12 HZ3 LYS 12 5.409 -9.587 13.298 113 H TYR 13 H TYR 13 0.928 -11.051 11.106 114 HA TYR 13 HA TYR 13 0.934 -11.210 13.924 115 HB2 TYR 13 HB2 TYR 13 -1.192 -10.175 12.038 116 HB3 TYR 13 HB3 TYR 13 -1.185 -9.920 13.779 117 HD1 TYR 13 HD2 TYR 13 1.318 -9.042 14.574 118 HD2 TYR 13 HD1 TYR 13 -0.565 -8.327 10.826 119 HE1 TYR 13 HE2 TYR 13 2.690 -7.023 14.276 120 HE2 TYR 13 HE1 TYR 13 0.804 -6.307 10.517 121 HH TYR 13 HH TYR 13 2.313 -4.949 11.418 122 H GLY 14 H GLY 14 -0.620 -13.089 11.474 123 HA2 GLY 14 HA2 GLY 14 -1.251 -15.336 12.595 124 HA3 GLY 14 HA3 GLY 14 -2.402 -14.327 13.459 125 H LYS 15 H LYS 15 -3.827 -16.021 12.397 126 HA LYS 15 HA LYS 15 -4.408 -15.433 9.594 127 HB2 LYS 15 HB2 LYS 15 -5.444 -17.572 11.461 128 HB3 LYS 15 HB3 LYS 15 -5.982 -17.374 9.799 129 HG2 LYS 15 HG2 LYS 15 -3.083 -17.741 10.446 130 HG3 LYS 15 HG3 LYS 15 -4.174 -19.122 10.308 131 HD2 LYS 15 HD2 LYS 15 -4.137 -17.077 8.136 132 HD3 LYS 15 HD3 LYS 15 -2.829 -18.258 8.225 133 HE2 LYS 15 HE2 LYS 15 -4.704 -20.010 8.383 134 HE3 LYS 15 HE3 LYS 15 -5.764 -18.724 7.809 135 HZ1 LYS 15 HZ1 LYS 15 -3.438 -18.862 6.207 136 HZ2 LYS 15 HZ2 LYS 15 -5.056 -19.049 5.751 137 HZ3 LYS 15 HZ3 LYS 15 -4.167 -20.387 6.283 138 H LYS 16 H LYS 16 -5.034 -13.636 11.929 139 HA LYS 16 HA LYS 16 -7.962 -13.542 11.712 140 HB2 LYS 16 HB2 LYS 16 -6.004 -12.503 13.729 141 HB3 LYS 16 HB3 LYS 16 -7.589 -11.756 13.588 142 HG2 LYS 16 HG2 LYS 16 -8.694 -13.657 14.308 143 HG3 LYS 16 HG3 LYS 16 -7.342 -14.718 13.906 144 HD2 LYS 16 HD2 LYS 16 -7.128 -14.631 16.186 145 HD3 LYS 16 HD3 LYS 16 -6.102 -13.271 15.725 146 HE2 LYS 16 HE2 LYS 16 -7.793 -11.700 16.259 147 HE3 LYS 16 HE3 LYS 16 -9.020 -12.960 16.391 148 HZ1 LYS 16 HZ1 LYS 16 -7.870 -11.937 18.502 149 HZ2 LYS 16 HZ2 LYS 16 -6.703 -13.115 18.170 150 HZ3 LYS 16 HZ3 LYS 16 -8.308 -13.570 18.446 151 H ALA 17 H ALA 17 -5.034 -11.665 11.193 152 HA ALA 17 HA ALA 17 -6.470 -9.310 10.347 153 HB1 ALA 17 HB1 ALA 17 -4.366 -8.979 11.436 154 HB2 ALA 17 HB2 ALA 17 -3.543 -10.021 10.274 155 HB3 ALA 17 HB3 ALA 17 -4.199 -8.468 9.755 156 H VAL 18 H VAL 18 -5.098 -12.138 8.867 157 HA VAL 18 HA VAL 18 -4.840 -11.189 6.227 158 HB VAL 18 HB VAL 18 -3.831 -13.300 6.995 159 HG11 VAL 18 HG11 VAL 18 -6.570 -14.527 6.818 160 HG12 VAL 18 HG12 VAL 18 -5.082 -15.254 7.425 161 HG13 VAL 18 HG13 VAL 18 -5.874 -13.970 8.339 162 HG21 VAL 18 HG21 VAL 18 -4.537 -14.692 5.000 163 HG22 VAL 18 HG22 VAL 18 -5.703 -13.417 4.642 164 HG23 VAL 18 HG23 VAL 18 -3.976 -13.057 4.649 165 H SER 19 H SER 19 -7.569 -12.432 8.042 166 HA SER 19 HA SER 19 -9.289 -12.723 5.771 167 HB2 SER 19 HB2 SER 19 -9.564 -13.986 7.922 168 HB3 SER 19 HB3 SER 19 -10.080 -12.480 8.682 169 HG SER 19 HG SER 19 -11.941 -13.390 8.039 170 H ALA 20 H ALA 20 -8.955 -10.310 8.355 171 HA ALA 20 HA ALA 20 -11.043 -8.626 7.713 172 HB1 ALA 20 HB1 ALA 20 -9.561 -6.796 8.664 173 HB2 ALA 20 HB2 ALA 20 -9.860 -8.192 9.701 174 HB3 ALA 20 HB3 ALA 20 -8.323 -8.039 8.848 175 H ALA 21 H ALA 21 -7.755 -8.643 6.373 176 HA ALA 21 HA ALA 21 -7.999 -6.395 4.728 177 HB1 ALA 21 HB1 ALA 21 -6.319 -8.864 4.307 178 HB2 ALA 21 HB2 ALA 21 -6.108 -7.324 3.474 179 HB3 ALA 21 HB3 ALA 21 -5.853 -7.425 5.216 180 H TRP 22 H TRP 22 -8.909 -9.754 4.205 181 HA TRP 22 HA TRP 22 -9.545 -9.401 1.434 182 HB2 TRP 22 HB2 TRP 22 -9.886 -11.588 3.442 183 HB3 TRP 22 HB3 TRP 22 -10.833 -11.650 1.958 184 HD1 TRP 22 HD1 TRP 22 -7.691 -12.873 3.274 185 HE1 TRP 22 HE1 TRP 22 -6.052 -13.503 1.392 186 HE3 TRP 22 HE3 TRP 22 -10.015 -10.547 -0.641 187 HZ2 TRP 22 HZ2 TRP 22 -5.780 -13.072 -1.384 188 HZ3 TRP 22 HZ3 TRP 22 -9.000 -10.704 -2.877 189 HH2 TRP 22 HH2 TRP 22 -6.926 -11.940 -3.239 190 H LYS 23 H LYS 23 -11.314 -9.253 4.461 191 HA LYS 23 HA LYS 23 -13.910 -9.177 3.285 192 HB2 LYS 23 HB2 LYS 23 -13.102 -9.658 5.768 193 HB3 LYS 23 HB3 LYS 23 -13.383 -7.931 5.944 194 HG2 LYS 23 HG2 LYS 23 -15.416 -9.941 4.995 195 HG3 LYS 23 HG3 LYS 23 -15.321 -9.261 6.622 196 HD2 LYS 23 HD2 LYS 23 -15.395 -6.984 5.248 197 HD3 LYS 23 HD3 LYS 23 -16.229 -8.015 4.083 198 HE2 LYS 23 HE2 LYS 23 -17.001 -7.837 6.988 199 HE3 LYS 23 HE3 LYS 23 -17.703 -6.811 5.738 200 HZ1 LYS 23 HZ1 LYS 23 -18.047 -9.199 4.642 201 HZ2 LYS 23 HZ2 LYS 23 -19.195 -8.478 5.653 202 HZ3 LYS 23 HZ3 LYS 23 -18.129 -9.636 6.274 203 H TYR 24 H TYR 24 -11.584 -6.735 4.315 204 HA TYR 24 HA TYR 24 -13.360 -4.653 3.228 205 HB2 TYR 24 HB2 TYR 24 -11.023 -4.252 5.101 206 HB3 TYR 24 HB3 TYR 24 -12.239 -3.064 4.644 207 HD1 TYR 24 HD1 TYR 24 -14.732 -4.580 4.942 208 HD2 TYR 24 HD2 TYR 24 -11.258 -4.533 7.398 209 HE1 TYR 24 HE1 TYR 24 -16.101 -5.230 6.879 210 HE2 TYR 24 HE2 TYR 24 -12.617 -5.184 9.342 211 HH TYR 24 HH TYR 24 -15.151 -6.560 9.438 212 H LYS 25 H LYS 25 -11.539 -6.415 1.715 213 HA LYS 25 HA LYS 25 -9.181 -5.129 0.956 214 HB2 LYS 25 HB2 LYS 25 -9.646 -7.429 0.326 215 HB3 LYS 25 HB3 LYS 25 -11.008 -6.915 -0.660 216 HG2 LYS 25 HG2 LYS 25 -9.485 -5.726 -2.153 217 HG3 LYS 25 HG3 LYS 25 -8.117 -6.237 -1.162 218 HD2 LYS 25 HD2 LYS 25 -8.092 -7.819 -2.842 219 HD3 LYS 25 HD3 LYS 25 -9.051 -8.632 -1.604 220 HE2 LYS 25 HE2 LYS 25 -10.996 -8.428 -2.783 221 HE3 LYS 25 HE3 LYS 25 -10.483 -6.943 -3.583 222 HZ1 LYS 25 HZ1 LYS 25 -10.353 -8.410 -5.302 223 HZ2 LYS 25 HZ2 LYS 25 -9.956 -9.728 -4.319 224 HZ3 LYS 25 HZ3 LYS 25 -8.781 -8.570 -4.696 225 H GLY 26 H GLY 26 -12.481 -4.430 0.186 226 HA2 GLY 26 HA2 GLY 26 -12.152 -3.020 -2.220 227 HA3 GLY 26 HA3 GLY 26 -13.454 -2.772 -1.066 228 H LYS 27 H LYS 27 -11.456 -2.116 1.063 229 HA LYS 27 HA LYS 27 -10.936 0.648 0.195 230 HB2 LYS 27 HB2 LYS 27 -10.882 1.110 2.695 231 HB3 LYS 27 HB3 LYS 27 -12.448 0.694 2.012 232 HG2 LYS 27 HG2 LYS 27 -12.160 -1.614 2.808 233 HG3 LYS 27 HG3 LYS 27 -10.623 -1.150 3.540 234 HD2 LYS 27 HD2 LYS 27 -12.141 -1.029 5.309 235 HD3 LYS 27 HD3 LYS 27 -11.989 0.646 4.774 236 HE2 LYS 27 HE2 LYS 27 -14.276 0.415 4.978 237 HE3 LYS 27 HE3 LYS 27 -14.028 0.072 3.267 238 HZ1 LYS 27 HZ1 LYS 27 -14.449 -2.144 3.556 239 HZ2 LYS 27 HZ2 LYS 27 -15.482 -1.493 4.726 240 HZ3 LYS 27 HZ3 LYS 27 -13.993 -2.151 5.185 241 H VAL 28 H VAL 28 -9.504 -2.247 1.436 242 HA VAL 28 HA VAL 28 -7.138 -1.273 2.539 243 HB VAL 28 HB VAL 28 -7.543 -3.843 1.001 244 HG11 VAL 28 HG11 VAL 28 -5.613 -4.596 2.477 245 HG12 VAL 28 HG12 VAL 28 -5.217 -3.512 1.142 246 HG13 VAL 28 HG13 VAL 28 -5.324 -2.885 2.787 247 HG21 VAL 28 HG21 VAL 28 -8.756 -3.045 3.339 248 HG22 VAL 28 HG22 VAL 28 -8.541 -4.712 2.804 249 HG23 VAL 28 HG23 VAL 28 -7.374 -3.982 3.906 250 H LEU 29 H LEU 29 -7.853 -2.187 -0.820 251 HA LEU 29 HA LEU 29 -5.310 -1.735 -1.884 252 HB2 LEU 29 HB2 LEU 29 -8.072 -1.810 -2.983 253 HB3 LEU 29 HB3 LEU 29 -6.788 -1.160 -4.002 254 HG LEU 29 HG LEU 29 -7.180 -3.493 -4.517 255 HD11 LEU 29 HD11 LEU 29 -4.589 -3.229 -3.004 256 HD12 LEU 29 HD12 LEU 29 -4.876 -2.552 -4.607 257 HD13 LEU 29 HD13 LEU 29 -4.934 -4.297 -4.364 258 HD21 LEU 29 HD21 LEU 29 -6.629 -5.222 -2.795 259 HD22 LEU 29 HD22 LEU 29 -8.104 -4.310 -2.475 260 HD23 LEU 29 HD23 LEU 29 -6.626 -3.935 -1.589 261 H GLU 30 H GLU 30 -7.763 0.477 -0.878 262 HA GLU 30 HA GLU 30 -6.771 2.717 -2.385 263 HB2 GLU 30 HB2 GLU 30 -8.627 2.699 0.001 264 HB3 GLU 30 HB3 GLU 30 -8.377 4.034 -1.115 265 HG2 GLU 30 HG2 GLU 30 -9.378 1.376 -2.064 266 HG3 GLU 30 HG3 GLU 30 -10.468 2.590 -1.396 267 H TRP 31 H TRP 31 -6.459 1.514 0.917 268 HA TRP 31 HA TRP 31 -5.015 3.752 1.908 269 HB2 TRP 31 HB2 TRP 31 -5.296 0.911 2.892 270 HB3 TRP 31 HB3 TRP 31 -4.372 2.136 3.757 271 HD1 TRP 31 HD1 TRP 31 -6.384 4.581 3.429 272 HE1 TRP 31 HE1 TRP 31 -8.605 4.572 4.729 273 HE3 TRP 31 HE3 TRP 31 -6.782 -0.437 4.324 274 HZ2 TRP 31 HZ2 TRP 31 -10.301 2.688 5.971 275 HZ3 TRP 31 HZ3 TRP 31 -8.734 -1.261 5.575 276 HH2 TRP 31 HH2 TRP 31 -10.455 0.271 6.381 277 H LEU 32 H LEU 32 -4.133 0.929 0.109 278 HA LEU 32 HA LEU 32 -1.317 1.122 0.717 279 HB2 LEU 32 HB2 LEU 32 -2.684 -0.468 -1.447 280 HB3 LEU 32 HB3 LEU 32 -1.040 -0.690 -0.851 281 HG LEU 32 HG LEU 32 -3.277 -0.990 1.085 282 HD11 LEU 32 HD11 LEU 32 -2.885 -2.663 -1.305 283 HD12 LEU 32 HD12 LEU 32 -4.314 -2.431 -0.298 284 HD13 LEU 32 HD13 LEU 32 -3.037 -3.530 0.224 285 HD21 LEU 32 HD21 LEU 32 -1.394 -3.054 1.250 286 HD22 LEU 32 HD22 LEU 32 -1.543 -1.648 2.304 287 HD23 LEU 32 HD23 LEU 32 -0.473 -1.591 0.902 288 H ASN 33 H ASN 33 -3.507 2.432 -1.596 289 HA ASN 33 HA ASN 33 -1.372 3.191 -3.431 290 HB2 ASN 33 HB2 ASN 33 -3.285 2.516 -4.611 291 HB3 ASN 33 HB3 ASN 33 -4.372 3.369 -3.520 292 HD21 ASN 33 HD21 ASN 33 -5.222 5.142 -4.308 293 HD22 ASN 33 HD22 ASN 33 -4.528 6.157 -5.521 294 H VAL 34 H VAL 34 -3.312 4.520 -0.892 295 HA VAL 34 HA VAL 34 -2.440 7.246 -1.533 296 HB VAL 34 HB VAL 34 -4.050 8.020 0.091 297 HG11 VAL 34 HG11 VAL 34 -5.634 7.878 -1.458 298 HG12 VAL 34 HG12 VAL 34 -4.691 6.620 -2.261 299 HG13 VAL 34 HG13 VAL 34 -5.915 6.181 -1.069 300 HG21 VAL 34 HG21 VAL 34 -4.233 6.640 1.874 301 HG22 VAL 34 HG22 VAL 34 -5.601 6.006 0.958 302 HG23 VAL 34 HG23 VAL 34 -4.043 5.180 0.902 303 H GLY 35 H GLY 35 -1.923 4.646 0.695 304 HA2 GLY 35 HA2 GLY 35 -0.614 6.307 2.677 305 HA3 GLY 35 HA3 GLY 35 -0.762 4.556 2.713 306 HA PRO 36 HA PRO 36 3.548 6.045 1.340 307 HB2 PRO 36 HB2 PRO 36 4.895 5.533 3.641 308 HB3 PRO 36 HB3 PRO 36 4.154 7.099 3.290 309 HG2 PRO 36 HG2 PRO 36 3.124 4.851 4.978 310 HG3 PRO 36 HG3 PRO 36 3.103 6.595 5.302 311 HD2 PRO 36 HD2 PRO 36 0.931 5.256 4.395 312 HD3 PRO 36 HD3 PRO 36 1.257 6.948 3.968 313 H THR 37 H THR 37 2.847 3.436 3.672 314 HA THR 37 HA THR 37 3.837 1.469 1.776 315 HB THR 37 HB THR 37 5.391 0.431 3.346 316 HG1 THR 37 HG1 THR 37 5.666 1.179 5.355 317 HG21 THR 37 HG21 THR 37 6.021 3.368 3.034 318 HG22 THR 37 HG22 THR 37 6.210 2.161 1.763 319 HG23 THR 37 HG23 THR 37 7.178 2.053 3.232 320 H LEU 38 H LEU 38 3.870 -0.775 3.192 321 HA LEU 38 HA LEU 38 1.131 -1.278 3.723 322 HB2 LEU 38 HB2 LEU 38 3.410 -3.053 4.545 323 HB3 LEU 38 HB3 LEU 38 1.762 -3.516 4.127 324 HG LEU 38 HG LEU 38 3.850 -2.489 2.205 325 HD11 LEU 38 HD11 LEU 38 4.586 -4.601 2.394 326 HD12 LEU 38 HD12 LEU 38 3.193 -4.982 1.384 327 HD13 LEU 38 HD13 LEU 38 3.089 -5.169 3.134 328 HD21 LEU 38 HD21 LEU 38 1.666 -3.775 0.933 329 HD22 LEU 38 HD22 LEU 38 2.192 -2.097 0.786 330 HD23 LEU 38 HD23 LEU 38 1.017 -2.549 2.022 331 H GLU 39 H GLU 39 3.876 -0.503 5.731 332 HA GLU 39 HA GLU 39 2.920 -1.358 8.214 333 HB2 GLU 39 HB2 GLU 39 5.240 -0.514 7.680 334 HB3 GLU 39 HB3 GLU 39 4.584 1.116 7.740 335 HG2 GLU 39 HG2 GLU 39 4.201 1.018 10.023 336 HG3 GLU 39 HG3 GLU 39 4.237 -0.744 10.053 337 H TRP 40 H TRP 40 2.242 1.535 6.351 338 HA TRP 40 HA TRP 40 0.844 2.876 8.462 339 HB2 TRP 40 HB2 TRP 40 1.937 4.072 6.573 340 HB3 TRP 40 HB3 TRP 40 0.731 3.394 5.483 341 HD1 TRP 40 HD1 TRP 40 0.999 5.842 8.454 342 HE1 TRP 40 HE1 TRP 40 -0.984 7.478 8.328 343 HE3 TRP 40 HE3 TRP 40 -1.541 3.739 4.548 344 HZ2 TRP 40 HZ2 TRP 40 -3.317 7.830 6.778 345 HZ3 TRP 40 HZ3 TRP 40 -3.640 4.786 3.805 346 HH2 TRP 40 HH2 TRP 40 -4.508 6.788 4.899 347 H VAL 41 H VAL 41 -0.210 1.286 5.449 348 HA VAL 41 HA VAL 41 -2.940 1.539 5.748 349 HB VAL 41 HB VAL 41 -1.539 -0.895 4.635 350 HG11 VAL 41 HG11 VAL 41 -4.328 0.076 4.633 351 HG12 VAL 41 HG12 VAL 41 -3.719 -0.568 3.107 352 HG13 VAL 41 HG13 VAL 41 -3.697 -1.569 4.560 353 HG21 VAL 41 HG21 VAL 41 -1.867 1.859 3.601 354 HG22 VAL 41 HG22 VAL 41 -0.586 0.683 3.309 355 HG23 VAL 41 HG23 VAL 41 -2.124 0.540 2.459 356 H TRP 42 H TRP 42 -0.849 -1.055 6.983 357 HA TRP 42 HA TRP 42 -2.797 -2.671 8.118 358 HB2 TRP 42 HB2 TRP 42 -0.598 -3.533 8.021 359 HB3 TRP 42 HB3 TRP 42 0.070 -2.147 8.878 360 HD1 TRP 42 HD1 TRP 42 0.805 -2.812 11.225 361 HE1 TRP 42 HE1 TRP 42 -0.046 -4.412 13.053 362 HE3 TRP 42 HE3 TRP 42 -3.252 -4.744 8.787 363 HZ2 TRP 42 HZ2 TRP 42 -2.158 -6.250 13.413 364 HZ3 TRP 42 HZ3 TRP 42 -4.635 -6.418 9.943 365 HH2 TRP 42 HH2 TRP 42 -4.098 -7.155 12.208 366 H GLN 43 H GLN 43 -1.204 0.193 9.432 367 HA GLN 43 HA GLN 43 -2.356 -0.006 12.023 368 HB2 GLN 43 HB2 GLN 43 -1.062 2.261 10.518 369 HB3 GLN 43 HB3 GLN 43 -1.696 2.457 12.147 370 HG2 GLN 43 HG2 GLN 43 0.272 0.295 11.521 371 HG3 GLN 43 HG3 GLN 43 0.805 1.947 11.829 372 HE21 GLN 43 HE21 GLN 43 0.947 -0.738 13.295 373 HE22 GLN 43 HE22 GLN 43 0.481 -0.338 14.909 374 H LYS 44 H LYS 44 -3.557 1.016 8.995 375 HA LYS 44 HA LYS 44 -5.667 2.658 10.151 376 HB2 LYS 44 HB2 LYS 44 -4.756 2.046 7.361 377 HB3 LYS 44 HB3 LYS 44 -6.366 2.701 7.630 378 HG2 LYS 44 HG2 LYS 44 -3.797 3.988 8.531 379 HG3 LYS 44 HG3 LYS 44 -4.719 4.437 7.094 380 HD2 LYS 44 HD2 LYS 44 -6.686 4.717 8.776 381 HD3 LYS 44 HD3 LYS 44 -5.402 4.813 9.983 382 HE2 LYS 44 HE2 LYS 44 -5.168 6.483 7.532 383 HE3 LYS 44 HE3 LYS 44 -6.332 6.968 8.765 384 HZ1 LYS 44 HZ1 LYS 44 -4.616 7.949 9.753 385 HZ2 LYS 44 HZ2 LYS 44 -3.477 7.157 8.786 386 HZ3 LYS 44 HZ3 LYS 44 -4.074 6.403 10.178 387 H LEU 45 H LEU 45 -5.308 -0.376 8.352 388 HA LEU 45 HA LEU 45 -8.060 -1.004 8.253 389 HB2 LEU 45 HB2 LEU 45 -6.692 -2.138 6.735 390 HB3 LEU 45 HB3 LEU 45 -5.545 -2.612 7.986 391 HG LEU 45 HG LEU 45 -7.278 -4.160 8.892 392 HD11 LEU 45 HD11 LEU 45 -9.109 -2.780 7.604 393 HD12 LEU 45 HD12 LEU 45 -9.305 -4.508 7.895 394 HD13 LEU 45 HD13 LEU 45 -8.756 -3.937 6.320 395 HD21 LEU 45 HD21 LEU 45 -7.072 -5.147 6.172 396 HD22 LEU 45 HD22 LEU 45 -6.354 -5.768 7.658 397 HD23 LEU 45 HD23 LEU 45 -5.549 -4.480 6.760 398 H LYS 46 H LYS 46 -5.645 -1.352 10.714 399 HA LYS 46 HA LYS 46 -6.927 -3.351 12.263 400 HB2 LYS 46 HB2 LYS 46 -4.489 -2.283 12.360 401 HB3 LYS 46 HB3 LYS 46 -5.248 -1.274 13.584 402 HG2 LYS 46 HG2 LYS 46 -5.988 -3.391 14.719 403 HG3 LYS 46 HG3 LYS 46 -4.951 -4.264 13.589 404 HD2 LYS 46 HD2 LYS 46 -3.250 -2.350 14.498 405 HD3 LYS 46 HD3 LYS 46 -4.248 -2.628 15.927 406 HE2 LYS 46 HE2 LYS 46 -3.799 -5.165 15.233 407 HE3 LYS 46 HE3 LYS 46 -2.349 -4.436 14.545 408 HZ1 LYS 46 HZ1 LYS 46 -1.500 -4.017 16.564 409 HZ2 LYS 46 HZ2 LYS 46 -2.555 -5.234 17.081 410 HZ3 LYS 46 HZ3 LYS 46 -2.993 -3.608 17.246 411 H LYS 47 H LYS 47 -7.404 0.058 11.905 412 HA LYS 47 HA LYS 47 -8.805 0.476 14.357 413 HB2 LYS 47 HB2 LYS 47 -7.675 2.260 12.965 414 HB3 LYS 47 HB3 LYS 47 -9.018 2.126 11.838 415 HG2 LYS 47 HG2 LYS 47 -10.440 2.533 14.021 416 HG3 LYS 47 HG3 LYS 47 -8.939 3.280 14.572 417 HD2 LYS 47 HD2 LYS 47 -10.135 3.974 11.910 418 HD3 LYS 47 HD3 LYS 47 -10.685 4.761 13.391 419 HE2 LYS 47 HE2 LYS 47 -8.139 5.166 13.784 420 HE3 LYS 47 HE3 LYS 47 -8.017 4.888 12.047 421 HZ1 LYS 47 HZ1 LYS 47 -8.266 7.228 12.513 422 HZ2 LYS 47 HZ2 LYS 47 -9.697 6.948 13.371 423 HZ3 LYS 47 HZ3 LYS 47 -9.641 6.663 11.705 424 H ILE 48 H ILE 48 -9.786 -0.157 11.013 425 HA ILE 48 HA ILE 48 -12.588 -0.028 11.593 426 HB ILE 48 HB ILE 48 -11.822 0.462 9.348 427 HG12 ILE 48 HG12 ILE 48 -13.340 -2.152 9.293 428 HG13 ILE 48 HG13 ILE 48 -14.069 -0.611 9.731 429 HG21 ILE 48 HG21 ILE 48 -10.708 -2.322 9.462 430 HG22 ILE 48 HG22 ILE 48 -11.027 -1.509 7.931 431 HG23 ILE 48 HG23 ILE 48 -9.878 -0.815 9.075 432 HD11 ILE 48 HD11 ILE 48 -14.009 -1.668 7.229 433 HD12 ILE 48 HD12 ILE 48 -14.236 0.040 7.605 434 HD13 ILE 48 HD13 ILE 48 -12.633 -0.566 7.189 435 H ALA 49 H ALA 49 -10.149 -2.478 11.720 436 HA ALA 49 HA ALA 49 -12.053 -4.666 11.777 437 HB1 ALA 49 HB1 ALA 49 -10.008 -5.169 10.698 438 HB2 ALA 49 HB2 ALA 49 -9.059 -4.547 12.049 439 HB3 ALA 49 HB3 ALA 49 -9.985 -6.037 12.233 440 H GLY 50 H GLY 50 -10.395 -2.603 14.007 441 HA2 GLY 50 HA2 GLY 50 -10.540 -2.411 16.291 442 HA3 GLY 50 HA3 GLY 50 -11.946 -3.463 16.206 443 H LEU 51 H LEU 51 -8.673 -4.273 15.171 444 HA LEU 51 HA LEU 51 -8.716 -6.690 16.702 445 HB2 LEU 51 HB2 LEU 51 -6.296 -5.492 15.388 446 HB3 LEU 51 HB3 LEU 51 -6.641 -7.191 15.706 447 HG LEU 51 HG LEU 51 -8.246 -5.560 13.753 448 HD11 LEU 51 HD11 LEU 51 -5.524 -6.328 13.505 449 HD12 LEU 51 HD12 LEU 51 -6.574 -5.578 12.302 450 HD13 LEU 51 HD13 LEU 51 -6.485 -7.336 12.422 451 HD21 LEU 51 HD21 LEU 51 -8.018 -8.436 14.501 452 HD22 LEU 51 HD22 LEU 51 -8.426 -8.012 12.838 453 HD23 LEU 51 HD23 LEU 51 -9.453 -7.467 14.166 Start of MODEL 18 1 H1 MET 1 H MET 1 5.485 -0.785 -2.755 2 HA MET 1 HA MET 1 4.259 -2.238 -0.513 3 HB2 MET 1 HB2 MET 1 2.439 -0.616 -0.428 4 HB3 MET 1 HB3 MET 1 3.982 0.173 -0.129 5 HG2 MET 1 HG2 MET 1 3.068 0.145 -2.928 6 HG3 MET 1 HG3 MET 1 2.117 1.116 -1.808 7 HE1 MET 1 HE1 MET 1 4.341 3.763 -3.668 8 HE2 MET 1 HE2 MET 1 3.445 2.367 -4.266 9 HE3 MET 1 HE3 MET 1 2.712 3.441 -3.074 10 H SER 2 H SER 2 2.372 -3.382 -0.992 11 HA SER 2 HA SER 2 1.029 -3.273 -3.474 12 HB2 SER 2 HB2 SER 2 3.244 -4.294 -4.167 13 HB3 SER 2 HB3 SER 2 2.815 -5.695 -3.185 14 HG SER 2 HG SER 2 1.792 -4.844 -5.618 15 H TRP 3 H TRP 3 -0.463 -5.188 -3.749 16 HA TRP 3 HA TRP 3 -1.858 -5.634 -1.334 17 HB2 TRP 3 HB2 TRP 3 -3.070 -5.601 -3.413 18 HB3 TRP 3 HB3 TRP 3 -2.106 -6.929 -4.054 19 HD1 TRP 3 HD1 TRP 3 -3.494 -9.065 -4.126 20 HE1 TRP 3 HE1 TRP 3 -5.278 -10.169 -2.635 21 HE3 TRP 3 HE3 TRP 3 -3.827 -5.497 -0.479 22 HZ2 TRP 3 HZ2 TRP 3 -6.646 -9.603 -0.231 23 HZ3 TRP 3 HZ3 TRP 3 -5.398 -5.854 1.380 24 HH2 TRP 3 HH2 TRP 3 -6.778 -7.865 1.500 25 H LEU 4 H LEU 4 -0.307 -8.042 -3.467 26 HA LEU 4 HA LEU 4 -0.451 -10.188 -1.708 27 HB2 LEU 4 HB2 LEU 4 1.628 -9.605 -3.810 28 HB3 LEU 4 HB3 LEU 4 1.395 -11.167 -3.028 29 HG LEU 4 HG LEU 4 -0.781 -9.835 -4.620 30 HD11 LEU 4 HD11 LEU 4 0.017 -10.595 -6.586 31 HD12 LEU 4 HD12 LEU 4 0.773 -12.012 -5.859 32 HD13 LEU 4 HD13 LEU 4 1.572 -10.442 -5.767 33 HD21 LEU 4 HD21 LEU 4 -1.863 -11.531 -3.610 34 HD22 LEU 4 HD22 LEU 4 -0.377 -12.410 -3.253 35 HD23 LEU 4 HD23 LEU 4 -1.096 -12.508 -4.861 36 H ASN 5 H ASN 5 1.778 -7.519 -1.817 37 HA ASN 5 HA ASN 5 3.737 -8.709 -0.095 38 HB2 ASN 5 HB2 ASN 5 3.283 -5.985 -1.249 39 HB3 ASN 5 HB3 ASN 5 4.397 -6.163 0.103 40 HD21 ASN 5 HD21 ASN 5 5.784 -5.288 -1.718 41 HD22 ASN 5 HD22 ASN 5 6.603 -6.461 -2.687 42 H PHE 6 H PHE 6 0.944 -6.618 0.317 43 HA PHE 6 HA PHE 6 1.432 -5.911 3.013 44 HB2 PHE 6 HB2 PHE 6 -0.118 -4.640 1.617 45 HB3 PHE 6 HB3 PHE 6 -1.171 -6.044 1.477 46 HD1 PHE 6 HD2 PHE 6 -2.451 -6.829 3.426 47 HD2 PHE 6 HD1 PHE 6 -0.143 -3.255 3.549 48 HE1 PHE 6 HE2 PHE 6 -3.667 -6.118 5.443 49 HE2 PHE 6 HE1 PHE 6 -1.354 -2.538 5.567 50 HZ PHE 6 HZ PHE 6 -3.120 -3.969 6.516 51 H LEU 7 H LEU 7 -0.785 -8.321 1.602 52 HA LEU 7 HA LEU 7 -1.760 -9.424 3.935 53 HB2 LEU 7 HB2 LEU 7 -1.147 -10.750 1.302 54 HB3 LEU 7 HB3 LEU 7 -2.057 -11.520 2.600 55 HG LEU 7 HG LEU 7 -2.896 -9.006 1.157 56 HD11 LEU 7 HD11 LEU 7 -3.326 -11.873 0.604 57 HD12 LEU 7 HD12 LEU 7 -3.324 -10.490 -0.490 58 HD13 LEU 7 HD13 LEU 7 -4.745 -10.832 0.496 59 HD21 LEU 7 HD21 LEU 7 -3.943 -10.522 3.470 60 HD22 LEU 7 HD22 LEU 7 -5.125 -9.961 2.288 61 HD23 LEU 7 HD23 LEU 7 -4.060 -8.804 3.088 62 H LYS 8 H LYS 8 1.056 -10.554 2.063 63 HA LYS 8 HA LYS 8 1.861 -12.609 3.734 64 HB2 LYS 8 HB2 LYS 8 2.791 -11.671 1.421 65 HB3 LYS 8 HB3 LYS 8 3.970 -10.915 2.485 66 HG2 LYS 8 HG2 LYS 8 3.427 -13.815 2.829 67 HG3 LYS 8 HG3 LYS 8 4.376 -13.294 1.434 68 HD2 LYS 8 HD2 LYS 8 5.641 -11.887 3.291 69 HD3 LYS 8 HD3 LYS 8 5.023 -13.170 4.333 70 HE2 LYS 8 HE2 LYS 8 5.999 -14.799 2.645 71 HE3 LYS 8 HE3 LYS 8 6.838 -13.415 1.947 72 HZ1 LYS 8 HZ1 LYS 8 7.444 -13.157 4.540 73 HZ2 LYS 8 HZ2 LYS 8 8.417 -13.966 3.418 74 HZ3 LYS 8 HZ3 LYS 8 7.362 -14.842 4.409 75 H TYR 9 H TYR 9 2.583 -9.156 3.934 76 HA TYR 9 HA TYR 9 4.451 -9.306 6.036 77 HB2 TYR 9 HB2 TYR 9 4.278 -7.300 4.702 78 HB3 TYR 9 HB3 TYR 9 2.603 -7.067 5.190 79 HD1 TYR 9 HD1 TYR 9 5.780 -7.735 7.054 80 HD2 TYR 9 HD2 TYR 9 2.383 -5.223 6.550 81 HE1 TYR 9 HE1 TYR 9 6.530 -6.351 8.944 82 HE2 TYR 9 HE2 TYR 9 3.125 -3.831 8.438 83 HH TYR 9 HH TYR 9 4.564 -3.674 10.154 84 H ILE 10 H ILE 10 1.016 -8.342 6.156 85 HA ILE 10 HA ILE 10 0.824 -8.287 8.952 86 HB ILE 10 HB ILE 10 -1.606 -8.388 8.643 87 HG12 ILE 10 HG12 ILE 10 -1.058 -8.754 5.696 88 HG13 ILE 10 HG13 ILE 10 -1.476 -10.087 6.766 89 HG21 ILE 10 HG21 ILE 10 0.058 -6.396 7.880 90 HG22 ILE 10 HG22 ILE 10 -0.866 -6.641 6.399 91 HG23 ILE 10 HG23 ILE 10 -1.700 -6.264 7.907 92 HD11 ILE 10 HD11 ILE 10 -3.318 -8.942 5.365 93 HD12 ILE 10 HD12 ILE 10 -3.639 -9.348 7.052 94 HD13 ILE 10 HD13 ILE 10 -3.242 -7.689 6.604 95 H ALA 11 H ALA 11 0.933 -10.920 6.763 96 HA ALA 11 HA ALA 11 -0.543 -12.894 8.003 97 HB1 ALA 11 HB1 ALA 11 0.766 -13.014 5.824 98 HB2 ALA 11 HB2 ALA 11 2.164 -13.427 6.816 99 HB3 ALA 11 HB3 ALA 11 0.740 -14.467 6.823 100 H LYS 12 H LYS 12 2.515 -11.509 8.955 101 HA LYS 12 HA LYS 12 3.424 -13.475 10.717 102 HB2 LYS 12 HB2 LYS 12 4.803 -11.767 11.698 103 HB3 LYS 12 HB3 LYS 12 4.725 -11.483 9.964 104 HG2 LYS 12 HG2 LYS 12 2.824 -9.848 10.526 105 HG3 LYS 12 HG3 LYS 12 3.433 -9.944 12.180 106 HD2 LYS 12 HD2 LYS 12 5.740 -9.466 11.022 107 HD3 LYS 12 HD3 LYS 12 4.721 -8.808 9.740 108 HE2 LYS 12 HE2 LYS 12 3.868 -7.136 11.104 109 HE3 LYS 12 HE3 LYS 12 4.274 -8.001 12.586 110 HZ1 LYS 12 HZ1 LYS 12 6.454 -7.343 12.481 111 HZ2 LYS 12 HZ2 LYS 12 5.688 -5.980 11.837 112 HZ3 LYS 12 HZ3 LYS 12 6.433 -7.097 10.807 113 H TYR 13 H TYR 13 0.973 -11.011 11.094 114 HA TYR 13 HA TYR 13 0.743 -11.190 13.921 115 HB2 TYR 13 HB2 TYR 13 -1.275 -10.255 11.870 116 HB3 TYR 13 HB3 TYR 13 -1.391 -9.993 13.606 117 HD1 TYR 13 HD2 TYR 13 0.821 -8.858 14.637 118 HD2 TYR 13 HD1 TYR 13 -0.481 -8.506 10.601 119 HE1 TYR 13 HE2 TYR 13 2.102 -6.771 14.412 120 HE2 TYR 13 HE1 TYR 13 0.798 -6.418 10.365 121 HH TYR 13 HH TYR 13 2.722 -5.127 13.060 122 H GLY 14 H GLY 14 -0.415 -13.112 11.300 123 HA2 GLY 14 HA2 GLY 14 -1.031 -15.418 12.158 124 HA3 GLY 14 HA3 GLY 14 -2.211 -14.563 13.141 125 H LYS 15 H LYS 15 -3.778 -15.959 12.087 126 HA LYS 15 HA LYS 15 -4.358 -15.239 9.301 127 HB2 LYS 15 HB2 LYS 15 -5.860 -17.196 9.315 128 HB3 LYS 15 HB3 LYS 15 -4.205 -17.626 9.728 129 HG2 LYS 15 HG2 LYS 15 -6.030 -17.012 11.973 130 HG3 LYS 15 HG3 LYS 15 -6.315 -18.512 11.087 131 HD2 LYS 15 HD2 LYS 15 -3.526 -17.884 11.903 132 HD3 LYS 15 HD3 LYS 15 -4.659 -18.395 13.157 133 HE2 LYS 15 HE2 LYS 15 -5.203 -20.383 11.756 134 HE3 LYS 15 HE3 LYS 15 -3.926 -19.892 10.644 135 HZ1 LYS 15 HZ1 LYS 15 -3.131 -21.555 12.189 136 HZ2 LYS 15 HZ2 LYS 15 -3.564 -20.590 13.508 137 HZ3 LYS 15 HZ3 LYS 15 -2.333 -20.088 12.461 138 H LYS 16 H LYS 16 -4.952 -13.692 11.865 139 HA LYS 16 HA LYS 16 -7.875 -13.569 11.708 140 HB2 LYS 16 HB2 LYS 16 -5.858 -12.563 13.697 141 HB3 LYS 16 HB3 LYS 16 -7.498 -11.929 13.679 142 HG2 LYS 16 HG2 LYS 16 -7.110 -14.877 13.754 143 HG3 LYS 16 HG3 LYS 16 -6.833 -13.939 15.224 144 HD2 LYS 16 HD2 LYS 16 -9.131 -12.894 14.745 145 HD3 LYS 16 HD3 LYS 16 -9.361 -14.244 13.632 146 HE2 LYS 16 HE2 LYS 16 -8.472 -14.760 16.439 147 HE3 LYS 16 HE3 LYS 16 -10.171 -14.430 16.106 148 HZ1 LYS 16 HZ1 LYS 16 -9.937 -16.252 14.354 149 HZ2 LYS 16 HZ2 LYS 16 -10.000 -16.728 15.976 150 HZ3 LYS 16 HZ3 LYS 16 -8.517 -16.687 15.164 151 H ALA 17 H ALA 17 -4.984 -11.702 11.073 152 HA ALA 17 HA ALA 17 -6.462 -9.289 10.462 153 HB1 ALA 17 HB1 ALA 17 -4.412 -8.744 11.354 154 HB2 ALA 17 HB2 ALA 17 -3.576 -10.047 10.507 155 HB3 ALA 17 HB3 ALA 17 -4.084 -8.606 9.626 156 H VAL 18 H VAL 18 -5.292 -12.072 8.793 157 HA VAL 18 HA VAL 18 -5.136 -10.961 6.183 158 HB VAL 18 HB VAL 18 -4.027 -13.068 6.736 159 HG11 VAL 18 HG11 VAL 18 -5.107 -15.018 7.356 160 HG12 VAL 18 HG12 VAL 18 -6.040 -13.787 8.210 161 HG13 VAL 18 HG13 VAL 18 -6.660 -14.485 6.713 162 HG21 VAL 18 HG21 VAL 18 -4.478 -12.703 4.419 163 HG22 VAL 18 HG22 VAL 18 -4.818 -14.398 4.768 164 HG23 VAL 18 HG23 VAL 18 -6.145 -13.249 4.600 165 H SER 19 H SER 19 -7.720 -12.417 8.065 166 HA SER 19 HA SER 19 -9.578 -12.751 5.970 167 HB2 SER 19 HB2 SER 19 -10.401 -13.883 7.753 168 HB3 SER 19 HB3 SER 19 -9.634 -12.801 8.916 169 HG SER 19 HG SER 19 -12.142 -12.875 8.390 170 H ALA 20 H ALA 20 -9.460 -10.216 8.480 171 HA ALA 20 HA ALA 20 -11.448 -8.574 7.500 172 HB1 ALA 20 HB1 ALA 20 -10.070 -6.702 8.598 173 HB2 ALA 20 HB2 ALA 20 -10.636 -8.029 9.613 174 HB3 ALA 20 HB3 ALA 20 -8.960 -7.991 9.065 175 H ALA 21 H ALA 21 -8.062 -8.763 6.532 176 HA ALA 21 HA ALA 21 -7.936 -6.480 4.927 177 HB1 ALA 21 HB1 ALA 21 -6.469 -8.972 4.173 178 HB2 ALA 21 HB2 ALA 21 -5.926 -7.294 4.132 179 HB3 ALA 21 HB3 ALA 21 -6.078 -8.134 5.675 180 H TRP 22 H TRP 22 -9.163 -9.704 4.256 181 HA TRP 22 HA TRP 22 -9.491 -9.256 1.443 182 HB2 TRP 22 HB2 TRP 22 -10.226 -11.417 3.367 183 HB3 TRP 22 HB3 TRP 22 -11.071 -11.354 1.823 184 HD1 TRP 22 HD1 TRP 22 -7.979 -12.660 3.373 185 HE1 TRP 22 HE1 TRP 22 -6.372 -13.549 1.571 186 HE3 TRP 22 HE3 TRP 22 -10.238 -10.693 -0.770 187 HZ2 TRP 22 HZ2 TRP 22 -6.097 -13.433 -1.236 188 HZ3 TRP 22 HZ3 TRP 22 -9.239 -11.129 -2.977 189 HH2 TRP 22 HH2 TRP 22 -7.211 -12.470 -3.203 190 H LYS 23 H LYS 23 -11.709 -9.391 4.221 191 HA LYS 23 HA LYS 23 -14.080 -8.886 2.845 192 HB2 LYS 23 HB2 LYS 23 -13.551 -9.458 5.385 193 HB3 LYS 23 HB3 LYS 23 -13.704 -7.715 5.562 194 HG2 LYS 23 HG2 LYS 23 -15.834 -9.234 4.131 195 HG3 LYS 23 HG3 LYS 23 -15.770 -9.265 5.895 196 HD2 LYS 23 HD2 LYS 23 -16.325 -7.062 6.089 197 HD3 LYS 23 HD3 LYS 23 -15.553 -6.621 4.565 198 HE2 LYS 23 HE2 LYS 23 -17.989 -8.346 4.536 199 HE3 LYS 23 HE3 LYS 23 -18.161 -6.610 4.789 200 HZ1 LYS 23 HZ1 LYS 23 -18.340 -6.901 2.498 201 HZ2 LYS 23 HZ2 LYS 23 -17.073 -8.020 2.431 202 HZ3 LYS 23 HZ3 LYS 23 -16.743 -6.384 2.710 203 H TYR 24 H TYR 24 -11.878 -6.589 4.439 204 HA TYR 24 HA TYR 24 -13.310 -4.368 3.186 205 HB2 TYR 24 HB2 TYR 24 -11.009 -4.204 5.136 206 HB3 TYR 24 HB3 TYR 24 -12.142 -2.928 4.702 207 HD1 TYR 24 HD1 TYR 24 -14.715 -4.391 4.871 208 HD2 TYR 24 HD2 TYR 24 -11.322 -4.466 7.436 209 HE1 TYR 24 HE1 TYR 24 -16.161 -5.031 6.754 210 HE2 TYR 24 HE2 TYR 24 -12.758 -5.107 9.327 211 HH TYR 24 HH TYR 24 -15.040 -5.037 10.011 212 H LYS 25 H LYS 25 -11.553 -6.258 1.714 213 HA LYS 25 HA LYS 25 -9.094 -5.069 1.071 214 HB2 LYS 25 HB2 LYS 25 -9.635 -7.382 0.485 215 HB3 LYS 25 HB3 LYS 25 -10.877 -6.824 -0.628 216 HG2 LYS 25 HG2 LYS 25 -9.221 -5.822 -2.054 217 HG3 LYS 25 HG3 LYS 25 -7.943 -6.202 -0.898 218 HD2 LYS 25 HD2 LYS 25 -7.727 -7.915 -2.435 219 HD3 LYS 25 HD3 LYS 25 -8.761 -8.654 -1.210 220 HE2 LYS 25 HE2 LYS 25 -9.969 -7.221 -3.542 221 HE3 LYS 25 HE3 LYS 25 -9.383 -8.874 -3.725 222 HZ1 LYS 25 HZ1 LYS 25 -10.859 -8.959 -1.444 223 HZ2 LYS 25 HZ2 LYS 25 -11.373 -9.472 -2.971 224 HZ3 LYS 25 HZ3 LYS 25 -11.751 -7.914 -2.431 225 H GLY 26 H GLY 26 -12.320 -4.249 0.189 226 HA2 GLY 26 HA2 GLY 26 -11.819 -2.914 -2.252 227 HA3 GLY 26 HA3 GLY 26 -13.194 -2.637 -1.194 228 H LYS 27 H LYS 27 -11.376 -1.962 1.068 229 HA LYS 27 HA LYS 27 -10.819 0.798 0.230 230 HB2 LYS 27 HB2 LYS 27 -10.824 1.254 2.713 231 HB3 LYS 27 HB3 LYS 27 -12.367 0.751 2.036 232 HG2 LYS 27 HG2 LYS 27 -11.995 -1.517 2.860 233 HG3 LYS 27 HG3 LYS 27 -10.442 -1.017 3.534 234 HD2 LYS 27 HD2 LYS 27 -11.987 -0.983 5.328 235 HD3 LYS 27 HD3 LYS 27 -11.721 0.702 4.876 236 HE2 LYS 27 HE2 LYS 27 -13.810 0.184 3.306 237 HE3 LYS 27 HE3 LYS 27 -14.133 -0.998 4.573 238 HZ1 LYS 27 HZ1 LYS 27 -14.480 1.824 4.618 239 HZ2 LYS 27 HZ2 LYS 27 -13.492 1.321 5.896 240 HZ3 LYS 27 HZ3 LYS 27 -15.038 0.659 5.711 241 H VAL 28 H VAL 28 -9.353 -2.096 1.421 242 HA VAL 28 HA VAL 28 -6.999 -1.055 2.536 243 HB VAL 28 HB VAL 28 -7.393 -3.688 1.107 244 HG11 VAL 28 HG11 VAL 28 -5.461 -4.308 2.727 245 HG12 VAL 28 HG12 VAL 28 -5.091 -3.473 1.217 246 HG13 VAL 28 HG13 VAL 28 -5.145 -2.574 2.734 247 HG21 VAL 28 HG21 VAL 28 -8.478 -2.735 3.521 248 HG22 VAL 28 HG22 VAL 28 -8.516 -4.383 2.894 249 HG23 VAL 28 HG23 VAL 28 -7.205 -3.874 3.958 250 H LEU 29 H LEU 29 -7.615 -2.259 -0.762 251 HA LEU 29 HA LEU 29 -5.119 -1.809 -1.857 252 HB2 LEU 29 HB2 LEU 29 -7.881 -1.933 -2.927 253 HB3 LEU 29 HB3 LEU 29 -6.637 -1.264 -3.980 254 HG LEU 29 HG LEU 29 -6.978 -3.615 -4.454 255 HD11 LEU 29 HD11 LEU 29 -4.362 -3.295 -3.002 256 HD12 LEU 29 HD12 LEU 29 -4.696 -2.589 -4.582 257 HD13 LEU 29 HD13 LEU 29 -4.716 -4.340 -4.378 258 HD21 LEU 29 HD21 LEU 29 -6.375 -5.311 -2.740 259 HD22 LEU 29 HD22 LEU 29 -7.832 -4.395 -2.352 260 HD23 LEU 29 HD23 LEU 29 -6.310 -4.018 -1.542 261 H GLU 30 H GLU 30 -7.628 0.472 -1.069 262 HA GLU 30 HA GLU 30 -6.544 2.634 -2.607 263 HB2 GLU 30 HB2 GLU 30 -8.673 2.392 -0.508 264 HB3 GLU 30 HB3 GLU 30 -8.101 3.978 -1.006 265 HG2 GLU 30 HG2 GLU 30 -8.685 3.417 -3.338 266 HG3 GLU 30 HG3 GLU 30 -9.348 1.885 -2.771 267 H TRP 31 H TRP 31 -6.355 1.582 0.755 268 HA TRP 31 HA TRP 31 -4.965 3.839 1.734 269 HB2 TRP 31 HB2 TRP 31 -5.298 1.016 2.715 270 HB3 TRP 31 HB3 TRP 31 -4.244 2.148 3.557 271 HD1 TRP 31 HD1 TRP 31 -6.135 4.738 3.258 272 HE1 TRP 31 HE1 TRP 31 -8.265 4.882 4.696 273 HE3 TRP 31 HE3 TRP 31 -6.728 -0.225 4.331 274 HZ2 TRP 31 HZ2 TRP 31 -9.971 3.125 6.100 275 HZ3 TRP 31 HZ3 TRP 31 -8.634 -0.910 5.728 276 HH2 TRP 31 HH2 TRP 31 -10.220 0.732 6.594 277 H LEU 32 H LEU 32 -3.968 1.075 -0.076 278 HA LEU 32 HA LEU 32 -1.169 1.341 0.592 279 HB2 LEU 32 HB2 LEU 32 -2.394 -0.269 -1.636 280 HB3 LEU 32 HB3 LEU 32 -0.801 -0.477 -0.913 281 HG LEU 32 HG LEU 32 -3.208 -0.817 0.812 282 HD11 LEU 32 HD11 LEU 32 -2.957 -2.220 -1.588 283 HD12 LEU 32 HD12 LEU 32 -3.993 -2.618 -0.218 284 HD13 LEU 32 HD13 LEU 32 -2.380 -3.321 -0.337 285 HD21 LEU 32 HD21 LEU 32 -0.362 -1.443 0.854 286 HD22 LEU 32 HD22 LEU 32 -1.382 -2.806 1.314 287 HD23 LEU 32 HD23 LEU 32 -1.507 -1.277 2.184 288 H ASN 33 H ASN 33 -3.361 2.515 -1.817 289 HA ASN 33 HA ASN 33 -1.229 3.358 -3.603 290 HB2 ASN 33 HB2 ASN 33 -3.125 2.649 -4.791 291 HB3 ASN 33 HB3 ASN 33 -4.232 3.486 -3.707 292 HD21 ASN 33 HD21 ASN 33 -4.906 5.458 -4.236 293 HD22 ASN 33 HD22 ASN 33 -4.297 6.399 -5.551 294 H VAL 34 H VAL 34 -3.226 4.654 -1.085 295 HA VAL 34 HA VAL 34 -2.395 7.394 -1.713 296 HB VAL 34 HB VAL 34 -4.011 8.113 -0.033 297 HG11 VAL 34 HG11 VAL 34 -5.209 8.097 -1.940 298 HG12 VAL 34 HG12 VAL 34 -4.757 6.438 -2.335 299 HG13 VAL 34 HG13 VAL 34 -6.046 6.749 -1.172 300 HG21 VAL 34 HG21 VAL 34 -3.819 5.365 0.794 301 HG22 VAL 34 HG22 VAL 34 -4.527 6.741 1.639 302 HG23 VAL 34 HG23 VAL 34 -5.502 5.806 0.505 303 H GLY 35 H GLY 35 -1.807 4.797 0.489 304 HA2 GLY 35 HA2 GLY 35 -0.524 6.498 2.467 305 HA3 GLY 35 HA3 GLY 35 -0.685 4.750 2.540 306 HA PRO 36 HA PRO 36 3.640 6.173 1.151 307 HB2 PRO 36 HB2 PRO 36 4.977 5.680 3.462 308 HB3 PRO 36 HB3 PRO 36 4.252 7.248 3.087 309 HG2 PRO 36 HG2 PRO 36 3.196 5.035 4.804 310 HG3 PRO 36 HG3 PRO 36 3.192 6.783 5.104 311 HD2 PRO 36 HD2 PRO 36 1.009 5.453 4.210 312 HD3 PRO 36 HD3 PRO 36 1.352 7.136 3.760 313 H THR 37 H THR 37 2.907 3.604 3.516 314 HA THR 37 HA THR 37 3.909 1.608 1.651 315 HB THR 37 HB THR 37 5.427 0.574 3.235 316 HG1 THR 37 HG1 THR 37 4.495 2.632 4.941 317 HG21 THR 37 HG21 THR 37 5.984 3.528 2.934 318 HG22 THR 37 HG22 THR 37 6.369 2.271 1.758 319 HG23 THR 37 HG23 THR 37 7.182 2.294 3.323 320 H LEU 38 H LEU 38 3.893 -0.620 3.119 321 HA LEU 38 HA LEU 38 1.142 -1.129 3.523 322 HB2 LEU 38 HB2 LEU 38 3.438 -2.810 4.503 323 HB3 LEU 38 HB3 LEU 38 1.796 -3.341 4.146 324 HG LEU 38 HG LEU 38 3.792 -2.370 2.102 325 HD11 LEU 38 HD11 LEU 38 4.684 -4.401 2.460 326 HD12 LEU 38 HD12 LEU 38 3.310 -4.959 1.506 327 HD13 LEU 38 HD13 LEU 38 3.239 -5.012 3.267 328 HD21 LEU 38 HD21 LEU 38 1.668 -3.913 1.019 329 HD22 LEU 38 HD22 LEU 38 2.081 -2.228 0.700 330 HD23 LEU 38 HD23 LEU 38 0.970 -2.632 2.010 331 H GLU 39 H GLU 39 3.807 -0.443 5.716 332 HA GLU 39 HA GLU 39 2.696 -1.140 8.144 333 HB2 GLU 39 HB2 GLU 39 5.024 -0.117 7.543 334 HB3 GLU 39 HB3 GLU 39 4.235 1.418 7.877 335 HG2 GLU 39 HG2 GLU 39 3.551 0.342 10.108 336 HG3 GLU 39 HG3 GLU 39 4.795 -0.853 9.742 337 H TRP 40 H TRP 40 2.498 2.047 6.557 338 HA TRP 40 HA TRP 40 0.843 3.296 8.399 339 HB2 TRP 40 HB2 TRP 40 1.989 4.445 6.525 340 HB3 TRP 40 HB3 TRP 40 0.849 3.709 5.402 341 HD1 TRP 40 HD1 TRP 40 0.986 6.324 8.222 342 HE1 TRP 40 HE1 TRP 40 -1.031 7.901 7.961 343 HE3 TRP 40 HE3 TRP 40 -1.451 3.906 4.434 344 HZ2 TRP 40 HZ2 TRP 40 -3.349 8.094 6.362 345 HZ3 TRP 40 HZ3 TRP 40 -3.563 4.852 3.597 346 HH2 TRP 40 HH2 TRP 40 -4.491 6.902 4.542 347 H VAL 41 H VAL 41 -0.068 1.447 5.502 348 HA VAL 41 HA VAL 41 -2.836 1.762 5.704 349 HB VAL 41 HB VAL 41 -1.363 -0.649 4.633 350 HG11 VAL 41 HG11 VAL 41 -4.149 -0.035 4.884 351 HG12 VAL 41 HG12 VAL 41 -3.708 -0.114 3.177 352 HG13 VAL 41 HG13 VAL 41 -3.381 -1.485 4.237 353 HG21 VAL 41 HG21 VAL 41 -1.719 2.083 3.608 354 HG22 VAL 41 HG22 VAL 41 -0.492 0.877 3.223 355 HG23 VAL 41 HG23 VAL 41 -2.078 0.796 2.458 356 H TRP 42 H TRP 42 -0.774 -0.872 6.926 357 HA TRP 42 HA TRP 42 -2.762 -2.419 8.098 358 HB2 TRP 42 HB2 TRP 42 -0.618 -3.388 7.937 359 HB3 TRP 42 HB3 TRP 42 0.150 -2.031 8.757 360 HD1 TRP 42 HD1 TRP 42 0.872 -2.618 11.129 361 HE1 TRP 42 HE1 TRP 42 0.047 -4.204 12.981 362 HE3 TRP 42 HE3 TRP 42 -3.193 -4.604 8.747 363 HZ2 TRP 42 HZ2 TRP 42 -2.048 -6.053 13.379 364 HZ3 TRP 42 HZ3 TRP 42 -4.554 -6.275 9.933 365 HH2 TRP 42 HH2 TRP 42 -3.992 -6.984 12.200 366 H GLN 43 H GLN 43 -1.204 0.495 9.238 367 HA GLN 43 HA GLN 43 -2.105 0.311 11.932 368 HB2 GLN 43 HB2 GLN 43 -0.937 2.480 10.232 369 HB3 GLN 43 HB3 GLN 43 -1.651 2.890 11.786 370 HG2 GLN 43 HG2 GLN 43 0.327 0.677 11.682 371 HG3 GLN 43 HG3 GLN 43 0.907 2.335 11.543 372 HE21 GLN 43 HE21 GLN 43 0.494 -0.055 13.663 373 HE22 GLN 43 HE22 GLN 43 0.231 0.845 15.114 374 H LYS 44 H LYS 44 -3.571 1.281 8.978 375 HA LYS 44 HA LYS 44 -5.721 2.716 10.338 376 HB2 LYS 44 HB2 LYS 44 -4.862 2.411 7.488 377 HB3 LYS 44 HB3 LYS 44 -6.525 2.867 7.836 378 HG2 LYS 44 HG2 LYS 44 -5.017 4.553 9.433 379 HG3 LYS 44 HG3 LYS 44 -4.110 4.456 7.921 380 HD2 LYS 44 HD2 LYS 44 -6.185 5.007 6.689 381 HD3 LYS 44 HD3 LYS 44 -7.019 5.199 8.233 382 HE2 LYS 44 HE2 LYS 44 -4.516 6.719 7.957 383 HE3 LYS 44 HE3 LYS 44 -5.818 7.214 6.875 384 HZ1 LYS 44 HZ1 LYS 44 -6.749 8.284 8.555 385 HZ2 LYS 44 HZ2 LYS 44 -5.512 7.791 9.598 386 HZ3 LYS 44 HZ3 LYS 44 -6.901 6.840 9.425 387 H LEU 45 H LEU 45 -5.271 -0.096 8.212 388 HA LEU 45 HA LEU 45 -7.957 -0.926 8.192 389 HB2 LEU 45 HB2 LEU 45 -6.581 -1.841 6.541 390 HB3 LEU 45 HB3 LEU 45 -5.350 -2.321 7.706 391 HG LEU 45 HG LEU 45 -6.923 -4.060 8.552 392 HD11 LEU 45 HD11 LEU 45 -8.856 -2.663 7.277 393 HD12 LEU 45 HD12 LEU 45 -9.002 -4.353 7.757 394 HD13 LEU 45 HD13 LEU 45 -8.543 -3.943 6.105 395 HD21 LEU 45 HD21 LEU 45 -6.777 -4.823 5.758 396 HD22 LEU 45 HD22 LEU 45 -5.937 -5.491 7.158 397 HD23 LEU 45 HD23 LEU 45 -5.281 -4.081 6.325 398 H LYS 46 H LYS 46 -5.274 -1.670 10.358 399 HA LYS 46 HA LYS 46 -6.381 -3.747 11.821 400 HB2 LYS 46 HB2 LYS 46 -4.055 -2.972 12.064 401 HB3 LYS 46 HB3 LYS 46 -4.628 -1.506 12.848 402 HG2 LYS 46 HG2 LYS 46 -5.690 -3.044 14.578 403 HG3 LYS 46 HG3 LYS 46 -4.695 -4.322 13.876 404 HD2 LYS 46 HD2 LYS 46 -3.169 -1.910 14.406 405 HD3 LYS 46 HD3 LYS 46 -3.938 -2.544 15.863 406 HE2 LYS 46 HE2 LYS 46 -3.001 -4.828 15.008 407 HE3 LYS 46 HE3 LYS 46 -1.900 -3.810 14.082 408 HZ1 LYS 46 HZ1 LYS 46 -1.593 -2.678 16.411 409 HZ2 LYS 46 HZ2 LYS 46 -0.715 -4.061 15.991 410 HZ3 LYS 46 HZ3 LYS 46 -2.083 -4.195 16.978 411 H LYS 47 H LYS 47 -7.119 -0.351 11.876 412 HA LYS 47 HA LYS 47 -8.497 -0.350 14.377 413 HB2 LYS 47 HB2 LYS 47 -7.557 1.697 13.356 414 HB3 LYS 47 HB3 LYS 47 -8.731 1.572 12.053 415 HG2 LYS 47 HG2 LYS 47 -9.643 3.155 13.489 416 HG3 LYS 47 HG3 LYS 47 -10.506 1.670 13.895 417 HD2 LYS 47 HD2 LYS 47 -9.156 1.338 15.842 418 HD3 LYS 47 HD3 LYS 47 -8.078 2.658 15.383 419 HE2 LYS 47 HE2 LYS 47 -9.672 4.289 15.881 420 HE3 LYS 47 HE3 LYS 47 -11.003 3.135 15.835 421 HZ1 LYS 47 HZ1 LYS 47 -10.516 3.736 18.097 422 HZ2 LYS 47 HZ2 LYS 47 -8.892 3.299 17.916 423 HZ3 LYS 47 HZ3 LYS 47 -10.097 2.114 17.857 424 H ILE 48 H ILE 48 -9.734 -0.022 11.043 425 HA ILE 48 HA ILE 48 -12.428 -0.330 11.635 426 HB ILE 48 HB ILE 48 -11.695 0.423 9.450 427 HG12 ILE 48 HG12 ILE 48 -13.150 -2.206 9.120 428 HG13 ILE 48 HG13 ILE 48 -13.911 -0.746 9.741 429 HG21 ILE 48 HG21 ILE 48 -10.663 -2.386 9.080 430 HG22 ILE 48 HG22 ILE 48 -10.755 -1.163 7.814 431 HG23 ILE 48 HG23 ILE 48 -9.696 -0.917 9.202 432 HD11 ILE 48 HD11 ILE 48 -13.929 -1.483 7.155 433 HD12 ILE 48 HD12 ILE 48 -14.068 0.186 7.707 434 HD13 ILE 48 HD13 ILE 48 -12.506 -0.441 7.180 435 H ALA 49 H ALA 49 -9.926 -2.743 11.232 436 HA ALA 49 HA ALA 49 -11.752 -4.964 11.138 437 HB1 ALA 49 HB1 ALA 49 -8.765 -4.754 11.389 438 HB2 ALA 49 HB2 ALA 49 -9.614 -6.298 11.465 439 HB3 ALA 49 HB3 ALA 49 -9.716 -5.306 10.010 440 H GLY 50 H GLY 50 -10.138 -3.137 13.599 441 HA2 GLY 50 HA2 GLY 50 -10.350 -3.199 15.889 442 HA3 GLY 50 HA3 GLY 50 -11.646 -4.365 15.672 443 H LEU 51 H LEU 51 -8.221 -4.568 14.760 444 HA LEU 51 HA LEU 51 -8.063 -7.099 16.226 445 HB2 LEU 51 HB2 LEU 51 -5.916 -6.042 14.432 446 HB3 LEU 51 HB3 LEU 51 -6.305 -7.713 14.837 447 HG LEU 51 HG LEU 51 -7.942 -5.921 13.043 448 HD11 LEU 51 HD11 LEU 51 -5.971 -6.427 11.867 449 HD12 LEU 51 HD12 LEU 51 -7.163 -7.598 11.306 450 HD13 LEU 51 HD13 LEU 51 -5.935 -8.082 12.475 451 HD21 LEU 51 HD21 LEU 51 -8.288 -8.715 14.051 452 HD22 LEU 51 HD22 LEU 51 -8.917 -8.255 12.469 453 HD23 LEU 51 HD23 LEU 51 -9.474 -7.417 13.918 Start of MODEL 19 1 H1 MET 1 H MET 1 2.006 0.085 0.421 2 HA MET 1 HA MET 1 3.560 0.529 -1.868 3 HB2 MET 1 HB2 MET 1 4.270 -0.347 0.447 4 HB3 MET 1 HB3 MET 1 3.805 -1.933 -0.156 5 HG2 MET 1 HG2 MET 1 5.464 -1.899 -1.824 6 HG3 MET 1 HG3 MET 1 5.761 -0.177 -1.600 7 HE1 MET 1 HE1 MET 1 8.634 -1.416 -1.453 8 HE2 MET 1 HE2 MET 1 8.710 -2.838 -0.413 9 HE3 MET 1 HE3 MET 1 7.568 -2.788 -1.757 10 H SER 2 H SER 2 1.856 -2.461 -0.916 11 HA SER 2 HA SER 2 0.895 -2.936 -3.555 12 HB2 SER 2 HB2 SER 2 3.450 -3.590 -3.498 13 HB3 SER 2 HB3 SER 2 2.843 -5.041 -2.701 14 HG SER 2 HG SER 2 2.315 -4.090 -5.301 15 H TRP 3 H TRP 3 -0.586 -4.639 -3.649 16 HA TRP 3 HA TRP 3 -1.924 -5.243 -1.254 17 HB2 TRP 3 HB2 TRP 3 -3.131 -5.237 -3.340 18 HB3 TRP 3 HB3 TRP 3 -2.103 -6.509 -3.993 19 HD1 TRP 3 HD1 TRP 3 -3.310 -8.752 -4.037 20 HE1 TRP 3 HE1 TRP 3 -5.071 -9.941 -2.584 21 HE3 TRP 3 HE3 TRP 3 -4.002 -5.143 -0.483 22 HZ2 TRP 3 HZ2 TRP 3 -6.557 -9.418 -0.242 23 HZ3 TRP 3 HZ3 TRP 3 -5.612 -5.566 1.330 24 HH2 TRP 3 HH2 TRP 3 -6.862 -7.660 1.446 25 H LEU 4 H LEU 4 -0.281 -7.546 -3.434 26 HA LEU 4 HA LEU 4 -0.303 -9.735 -1.753 27 HB2 LEU 4 HB2 LEU 4 1.878 -8.984 -3.693 28 HB3 LEU 4 HB3 LEU 4 1.563 -10.597 -3.057 29 HG LEU 4 HG LEU 4 -0.533 -9.155 -4.638 30 HD11 LEU 4 HD11 LEU 4 1.278 -11.022 -6.049 31 HD12 LEU 4 HD12 LEU 4 1.880 -9.394 -5.739 32 HD13 LEU 4 HD13 LEU 4 0.390 -9.624 -6.653 33 HD21 LEU 4 HD21 LEU 4 -0.029 -11.869 -3.626 34 HD22 LEU 4 HD22 LEU 4 -0.644 -11.782 -5.277 35 HD23 LEU 4 HD23 LEU 4 -1.551 -11.042 -3.957 36 H ASN 5 H ASN 5 2.233 -7.260 -2.065 37 HA ASN 5 HA ASN 5 4.031 -8.289 -0.211 38 HB2 ASN 5 HB2 ASN 5 4.450 -6.371 -1.773 39 HB3 ASN 5 HB3 ASN 5 3.492 -5.353 -0.701 40 HD21 ASN 5 HD21 ASN 5 5.482 -4.101 -0.610 41 HD22 ASN 5 HD22 ASN 5 6.699 -4.549 0.532 42 H PHE 6 H PHE 6 1.213 -6.216 0.271 43 HA PHE 6 HA PHE 6 1.619 -5.639 2.987 44 HB2 PHE 6 HB2 PHE 6 0.005 -4.401 1.654 45 HB3 PHE 6 HB3 PHE 6 -0.957 -5.856 1.417 46 HD1 PHE 6 HD2 PHE 6 0.101 -3.321 3.860 47 HD2 PHE 6 HD1 PHE 6 -2.460 -6.632 3.090 48 HE1 PHE 6 HE2 PHE 6 -1.187 -2.792 5.889 49 HE2 PHE 6 HE1 PHE 6 -3.753 -6.108 5.117 50 HZ PHE 6 HZ PHE 6 -3.116 -4.187 6.520 51 H LEU 7 H LEU 7 -0.545 -8.074 1.531 52 HA LEU 7 HA LEU 7 -1.370 -9.314 3.860 53 HB2 LEU 7 HB2 LEU 7 -0.886 -10.499 1.133 54 HB3 LEU 7 HB3 LEU 7 -1.727 -11.333 2.439 55 HG LEU 7 HG LEU 7 -2.645 -8.782 1.113 56 HD11 LEU 7 HD11 LEU 7 -3.220 -11.657 0.633 57 HD12 LEU 7 HD12 LEU 7 -3.103 -10.319 -0.508 58 HD13 LEU 7 HD13 LEU 7 -4.545 -10.501 0.490 59 HD21 LEU 7 HD21 LEU 7 -3.567 -10.330 3.465 60 HD22 LEU 7 HD22 LEU 7 -4.803 -9.701 2.375 61 HD23 LEU 7 HD23 LEU 7 -3.656 -8.599 3.138 62 H LYS 8 H LYS 8 1.533 -9.906 1.933 63 HA LYS 8 HA LYS 8 2.429 -12.152 3.411 64 HB2 LYS 8 HB2 LYS 8 3.590 -10.313 1.389 65 HB3 LYS 8 HB3 LYS 8 4.725 -11.208 2.391 66 HG2 LYS 8 HG2 LYS 8 4.417 -12.516 0.473 67 HG3 LYS 8 HG3 LYS 8 3.446 -13.294 1.725 68 HD2 LYS 8 HD2 LYS 8 1.483 -11.955 0.826 69 HD3 LYS 8 HD3 LYS 8 2.510 -11.568 -0.556 70 HE2 LYS 8 HE2 LYS 8 1.241 -13.442 -1.211 71 HE3 LYS 8 HE3 LYS 8 2.844 -14.066 -0.826 72 HZ1 LYS 8 HZ1 LYS 8 1.988 -15.365 0.732 73 HZ2 LYS 8 HZ2 LYS 8 0.442 -14.927 0.205 74 HZ3 LYS 8 HZ3 LYS 8 1.176 -14.077 1.470 75 H TYR 9 H TYR 9 2.624 -8.732 3.920 76 HA TYR 9 HA TYR 9 4.761 -8.886 5.851 77 HB2 TYR 9 HB2 TYR 9 4.600 -6.856 4.591 78 HB3 TYR 9 HB3 TYR 9 2.905 -6.654 5.017 79 HD1 TYR 9 HD1 TYR 9 6.191 -7.050 6.764 80 HD2 TYR 9 HD2 TYR 9 2.429 -5.068 6.616 81 HE1 TYR 9 HE1 TYR 9 6.847 -5.674 8.695 82 HE2 TYR 9 HE2 TYR 9 3.075 -3.686 8.545 83 HH TYR 9 HH TYR 9 4.616 -3.737 10.412 84 H ILE 10 H ILE 10 1.269 -8.204 5.976 85 HA ILE 10 HA ILE 10 1.178 -8.156 8.827 86 HB ILE 10 HB ILE 10 -1.275 -8.192 8.552 87 HG12 ILE 10 HG12 ILE 10 -0.911 -8.093 5.580 88 HG13 ILE 10 HG13 ILE 10 -0.995 -9.654 6.387 89 HG21 ILE 10 HG21 ILE 10 0.306 -6.144 8.184 90 HG22 ILE 10 HG22 ILE 10 -0.260 -6.261 6.519 91 HG23 ILE 10 HG23 ILE 10 -1.416 -6.013 7.828 92 HD11 ILE 10 HD11 ILE 10 -3.143 -8.592 5.426 93 HD12 ILE 10 HD12 ILE 10 -3.192 -9.352 7.018 94 HD13 ILE 10 HD13 ILE 10 -3.099 -7.596 6.880 95 H ALA 11 H ALA 11 1.147 -10.649 6.479 96 HA ALA 11 HA ALA 11 -0.377 -12.643 7.623 97 HB1 ALA 11 HB1 ALA 11 1.732 -14.062 6.647 98 HB2 ALA 11 HB2 ALA 11 0.389 -13.455 5.679 99 HB3 ALA 11 HB3 ALA 11 1.892 -12.538 5.774 100 H LYS 12 H LYS 12 2.739 -11.421 8.607 101 HA LYS 12 HA LYS 12 3.599 -13.529 10.231 102 HB2 LYS 12 HB2 LYS 12 5.067 -11.939 11.279 103 HB3 LYS 12 HB3 LYS 12 4.975 -11.559 9.564 104 HG2 LYS 12 HG2 LYS 12 3.233 -9.835 10.167 105 HG3 LYS 12 HG3 LYS 12 3.678 -10.110 11.853 106 HD2 LYS 12 HD2 LYS 12 6.087 -9.655 11.073 107 HD3 LYS 12 HD3 LYS 12 5.339 -8.973 9.626 108 HE2 LYS 12 HE2 LYS 12 4.277 -7.275 10.840 109 HE3 LYS 12 HE3 LYS 12 4.505 -8.109 12.376 110 HZ1 LYS 12 HZ1 LYS 12 6.614 -7.364 12.576 111 HZ2 LYS 12 HZ2 LYS 12 6.033 -6.106 11.606 112 HZ3 LYS 12 HZ3 LYS 12 6.913 -7.372 10.910 113 H TYR 13 H TYR 13 1.312 -10.939 10.823 114 HA TYR 13 HA TYR 13 1.113 -11.188 13.615 115 HB2 TYR 13 HB2 TYR 13 -0.944 -10.283 11.591 116 HB3 TYR 13 HB3 TYR 13 -1.107 -10.089 13.333 117 HD1 TYR 13 HD2 TYR 13 1.084 -8.942 14.436 118 HD2 TYR 13 HD1 TYR 13 -0.234 -8.433 10.423 119 HE1 TYR 13 HE2 TYR 13 2.293 -6.804 14.316 120 HE2 TYR 13 HE1 TYR 13 0.972 -6.294 10.292 121 HH TYR 13 HH TYR 13 2.232 -4.820 11.368 122 H GLY 14 H GLY 14 -0.118 -13.128 11.030 123 HA2 GLY 14 HA2 GLY 14 -0.643 -15.453 11.852 124 HA3 GLY 14 HA3 GLY 14 -1.749 -14.657 12.962 125 H LYS 15 H LYS 15 -3.265 -16.196 11.896 126 HA LYS 15 HA LYS 15 -4.128 -15.367 9.229 127 HB2 LYS 15 HB2 LYS 15 -5.539 -17.355 9.265 128 HB3 LYS 15 HB3 LYS 15 -3.880 -17.772 9.671 129 HG2 LYS 15 HG2 LYS 15 -4.416 -18.000 11.977 130 HG3 LYS 15 HG3 LYS 15 -6.025 -17.317 11.729 131 HD2 LYS 15 HD2 LYS 15 -6.336 -19.303 10.087 132 HD3 LYS 15 HD3 LYS 15 -4.966 -20.008 10.948 133 HE2 LYS 15 HE2 LYS 15 -6.258 -19.574 13.081 134 HE3 LYS 15 HE3 LYS 15 -7.647 -19.208 12.059 135 HZ1 LYS 15 HZ1 LYS 15 -7.068 -21.515 11.033 136 HZ2 LYS 15 HZ2 LYS 15 -7.961 -21.421 12.466 137 HZ3 LYS 15 HZ3 LYS 15 -6.308 -21.778 12.522 138 H LYS 16 H LYS 16 -4.530 -13.793 11.762 139 HA LYS 16 HA LYS 16 -7.467 -13.723 11.829 140 HB2 LYS 16 HB2 LYS 16 -5.474 -12.481 13.734 141 HB3 LYS 16 HB3 LYS 16 -7.223 -12.447 13.911 142 HG2 LYS 16 HG2 LYS 16 -6.944 -15.064 13.790 143 HG3 LYS 16 HG3 LYS 16 -5.312 -14.678 14.342 144 HD2 LYS 16 HD2 LYS 16 -6.049 -13.841 16.357 145 HD3 LYS 16 HD3 LYS 16 -7.647 -13.438 15.726 146 HE2 LYS 16 HE2 LYS 16 -7.861 -16.033 15.460 147 HE3 LYS 16 HE3 LYS 16 -6.579 -16.061 16.670 148 HZ1 LYS 16 HZ1 LYS 16 -8.526 -16.130 17.905 149 HZ2 LYS 16 HZ2 LYS 16 -9.326 -15.011 16.922 150 HZ3 LYS 16 HZ3 LYS 16 -8.101 -14.494 17.967 151 H ALA 17 H ALA 17 -4.601 -11.788 11.223 152 HA ALA 17 HA ALA 17 -6.127 -9.374 10.753 153 HB1 ALA 17 HB1 ALA 17 -3.966 -9.099 11.734 154 HB2 ALA 17 HB2 ALA 17 -3.200 -10.010 10.431 155 HB3 ALA 17 HB3 ALA 17 -3.910 -8.429 10.103 156 H VAL 18 H VAL 18 -4.877 -12.029 8.917 157 HA VAL 18 HA VAL 18 -4.825 -10.778 6.370 158 HB VAL 18 HB VAL 18 -3.637 -12.887 6.844 159 HG11 VAL 18 HG11 VAL 18 -5.486 -13.851 8.244 160 HG12 VAL 18 HG12 VAL 18 -6.331 -14.229 6.742 161 HG13 VAL 18 HG13 VAL 18 -4.766 -14.966 7.084 162 HG21 VAL 18 HG21 VAL 18 -4.481 -14.120 4.758 163 HG22 VAL 18 HG22 VAL 18 -5.635 -12.796 4.607 164 HG23 VAL 18 HG23 VAL 18 -3.903 -12.466 4.560 165 H SER 19 H SER 19 -7.321 -12.367 8.244 166 HA SER 19 HA SER 19 -9.204 -12.688 6.157 167 HB2 SER 19 HB2 SER 19 -9.244 -13.818 8.432 168 HB3 SER 19 HB3 SER 19 -9.863 -12.299 9.080 169 HG SER 19 HG SER 19 -11.619 -13.544 8.576 170 H ALA 20 H ALA 20 -8.891 -10.200 8.685 171 HA ALA 20 HA ALA 20 -11.039 -8.601 7.916 172 HB1 ALA 20 HB1 ALA 20 -9.514 -6.733 8.951 173 HB2 ALA 20 HB2 ALA 20 -10.198 -8.006 9.964 174 HB3 ALA 20 HB3 ALA 20 -8.520 -8.110 9.429 175 H ALA 21 H ALA 21 -7.856 -8.920 6.548 176 HA ALA 21 HA ALA 21 -7.876 -6.495 5.051 177 HB1 ALA 21 HB1 ALA 21 -6.262 -9.019 4.716 178 HB2 ALA 21 HB2 ALA 21 -5.990 -7.529 3.813 179 HB3 ALA 21 HB3 ALA 21 -5.778 -7.550 5.563 180 H TRP 22 H TRP 22 -8.910 -9.797 4.423 181 HA TRP 22 HA TRP 22 -9.373 -9.419 1.633 182 HB2 TRP 22 HB2 TRP 22 -10.016 -11.538 3.637 183 HB3 TRP 22 HB3 TRP 22 -10.890 -11.538 2.108 184 HD1 TRP 22 HD1 TRP 22 -7.684 -12.638 3.639 185 HE1 TRP 22 HE1 TRP 22 -6.114 -13.582 1.831 186 HE3 TRP 22 HE3 TRP 22 -10.202 -11.065 -0.523 187 HZ2 TRP 22 HZ2 TRP 22 -5.963 -13.651 -0.986 188 HZ3 TRP 22 HZ3 TRP 22 -9.277 -11.611 -2.737 189 HH2 TRP 22 HH2 TRP 22 -7.201 -12.876 -2.962 190 H LYS 23 H LYS 23 -11.573 -9.670 4.428 191 HA LYS 23 HA LYS 23 -13.968 -9.217 3.132 192 HB2 LYS 23 HB2 LYS 23 -13.407 -9.716 5.648 193 HB3 LYS 23 HB3 LYS 23 -13.476 -7.966 5.808 194 HG2 LYS 23 HG2 LYS 23 -15.773 -8.340 4.517 195 HG3 LYS 23 HG3 LYS 23 -15.641 -9.916 5.302 196 HD2 LYS 23 HD2 LYS 23 -15.058 -8.384 7.397 197 HD3 LYS 23 HD3 LYS 23 -16.024 -7.220 6.487 198 HE2 LYS 23 HE2 LYS 23 -16.877 -9.982 7.350 199 HE3 LYS 23 HE3 LYS 23 -17.427 -8.453 8.035 200 HZ1 LYS 23 HZ1 LYS 23 -18.398 -9.839 5.764 201 HZ2 LYS 23 HZ2 LYS 23 -17.890 -8.289 5.317 202 HZ3 LYS 23 HZ3 LYS 23 -19.043 -8.480 6.540 203 H TYR 24 H TYR 24 -11.470 -6.942 4.008 204 HA TYR 24 HA TYR 24 -13.115 -4.755 2.916 205 HB2 TYR 24 HB2 TYR 24 -10.762 -4.552 4.805 206 HB3 TYR 24 HB3 TYR 24 -11.746 -3.213 4.226 207 HD1 TYR 24 HD1 TYR 24 -14.464 -4.354 4.482 208 HD2 TYR 24 HD2 TYR 24 -11.125 -4.572 7.111 209 HE1 TYR 24 HE1 TYR 24 -15.991 -4.649 6.387 210 HE2 TYR 24 HE2 TYR 24 -12.643 -4.869 9.023 211 HH TYR 24 HH TYR 24 -15.370 -5.878 9.069 212 H LYS 25 H LYS 25 -12.122 -6.127 0.953 213 HA LYS 25 HA LYS 25 -9.455 -5.220 0.243 214 HB2 LYS 25 HB2 LYS 25 -10.674 -7.536 -0.269 215 HB3 LYS 25 HB3 LYS 25 -11.188 -6.660 -1.704 216 HG2 LYS 25 HG2 LYS 25 -9.005 -6.407 -2.480 217 HG3 LYS 25 HG3 LYS 25 -8.305 -6.765 -0.900 218 HD2 LYS 25 HD2 LYS 25 -7.940 -8.705 -2.170 219 HD3 LYS 25 HD3 LYS 25 -9.337 -9.087 -1.161 220 HE2 LYS 25 HE2 LYS 25 -9.725 -7.954 -3.902 221 HE3 LYS 25 HE3 LYS 25 -9.371 -9.669 -3.698 222 HZ1 LYS 25 HZ1 LYS 25 -11.358 -9.070 -1.875 223 HZ2 LYS 25 HZ2 LYS 25 -11.517 -9.964 -3.302 224 HZ3 LYS 25 HZ3 LYS 25 -11.817 -8.299 -3.309 225 H GLY 26 H GLY 26 -12.230 -3.662 0.315 226 HA2 GLY 26 HA2 GLY 26 -11.998 -2.462 -2.364 227 HA3 GLY 26 HA3 GLY 26 -13.394 -2.326 -1.304 228 H LYS 27 H LYS 27 -11.021 -1.919 0.795 229 HA LYS 27 HA LYS 27 -10.784 0.975 0.286 230 HB2 LYS 27 HB2 LYS 27 -10.771 1.262 2.763 231 HB3 LYS 27 HB3 LYS 27 -12.294 0.651 2.129 232 HG2 LYS 27 HG2 LYS 27 -11.332 -1.676 2.702 233 HG3 LYS 27 HG3 LYS 27 -10.204 -0.777 3.720 234 HD2 LYS 27 HD2 LYS 27 -12.006 -1.365 5.127 235 HD3 LYS 27 HD3 LYS 27 -12.242 0.341 4.741 236 HE2 LYS 27 HE2 LYS 27 -13.657 -0.715 2.752 237 HE3 LYS 27 HE3 LYS 27 -13.806 -2.040 3.905 238 HZ1 LYS 27 HZ1 LYS 27 -15.088 -0.819 5.280 239 HZ2 LYS 27 HZ2 LYS 27 -15.453 0.028 3.863 240 HZ3 LYS 27 HZ3 LYS 27 -14.297 0.636 4.937 241 H VAL 28 H VAL 28 -9.286 -1.843 1.830 242 HA VAL 28 HA VAL 28 -6.885 -0.736 2.633 243 HB VAL 28 HB VAL 28 -7.323 -3.498 1.488 244 HG11 VAL 28 HG11 VAL 28 -5.320 -4.124 2.749 245 HG12 VAL 28 HG12 VAL 28 -4.959 -2.900 1.530 246 HG13 VAL 28 HG13 VAL 28 -5.096 -2.442 3.228 247 HG21 VAL 28 HG21 VAL 28 -7.190 -2.780 4.396 248 HG22 VAL 28 HG22 VAL 28 -8.709 -2.702 3.503 249 HG23 VAL 28 HG23 VAL 28 -7.844 -4.233 3.641 250 H LEU 29 H LEU 29 -7.727 -2.089 -0.541 251 HA LEU 29 HA LEU 29 -5.234 -1.820 -1.761 252 HB2 LEU 29 HB2 LEU 29 -8.044 -1.902 -2.760 253 HB3 LEU 29 HB3 LEU 29 -6.741 -1.517 -3.882 254 HG LEU 29 HG LEU 29 -7.336 -3.873 -4.001 255 HD11 LEU 29 HD11 LEU 29 -4.767 -2.822 -3.634 256 HD12 LEU 29 HD12 LEU 29 -5.211 -4.325 -4.442 257 HD13 LEU 29 HD13 LEU 29 -4.806 -4.333 -2.726 258 HD21 LEU 29 HD21 LEU 29 -7.177 -5.363 -2.177 259 HD22 LEU 29 HD22 LEU 29 -8.100 -3.979 -1.590 260 HD23 LEU 29 HD23 LEU 29 -6.399 -4.152 -1.156 261 H GLU 30 H GLU 30 -7.590 0.558 -0.925 262 HA GLU 30 HA GLU 30 -6.486 2.572 -2.701 263 HB2 GLU 30 HB2 GLU 30 -8.583 2.837 -0.539 264 HB3 GLU 30 HB3 GLU 30 -8.178 4.054 -1.740 265 HG2 GLU 30 HG2 GLU 30 -9.182 1.325 -2.480 266 HG3 GLU 30 HG3 GLU 30 -10.256 2.686 -2.165 267 H TRP 31 H TRP 31 -6.205 1.543 0.600 268 HA TRP 31 HA TRP 31 -4.959 3.962 1.533 269 HB2 TRP 31 HB2 TRP 31 -5.240 1.210 2.750 270 HB3 TRP 31 HB3 TRP 31 -4.443 2.554 3.564 271 HD1 TRP 31 HD1 TRP 31 -6.651 4.770 2.577 272 HE1 TRP 31 HE1 TRP 31 -8.920 4.809 3.792 273 HE3 TRP 31 HE3 TRP 31 -6.599 0.052 4.546 274 HZ2 TRP 31 HZ2 TRP 31 -10.480 3.071 5.376 275 HZ3 TRP 31 HZ3 TRP 31 -8.518 -0.682 5.900 276 HH2 TRP 31 HH2 TRP 31 -10.417 0.798 6.306 277 H LEU 32 H LEU 32 -3.930 1.072 -0.031 278 HA LEU 32 HA LEU 32 -1.166 1.312 0.781 279 HB2 LEU 32 HB2 LEU 32 -2.377 -0.410 -1.375 280 HB3 LEU 32 HB3 LEU 32 -0.769 -0.578 -0.674 281 HG LEU 32 HG LEU 32 -3.102 -0.792 1.154 282 HD11 LEU 32 HD11 LEU 32 -4.072 -2.300 -0.209 283 HD12 LEU 32 HD12 LEU 32 -2.829 -3.371 0.437 284 HD13 LEU 32 HD13 LEU 32 -2.592 -2.588 -1.125 285 HD21 LEU 32 HD21 LEU 32 -1.242 -2.844 1.526 286 HD22 LEU 32 HD22 LEU 32 -1.419 -1.373 2.483 287 HD23 LEU 32 HD23 LEU 32 -0.291 -1.413 1.126 288 H ASN 33 H ASN 33 -3.188 2.469 -1.757 289 HA ASN 33 HA ASN 33 -0.941 3.129 -3.487 290 HB2 ASN 33 HB2 ASN 33 -2.969 2.318 -4.560 291 HB3 ASN 33 HB3 ASN 33 -3.913 3.599 -3.804 292 HD21 ASN 33 HD21 ASN 33 -3.636 5.739 -4.511 293 HD22 ASN 33 HD22 ASN 33 -2.960 6.091 -6.062 294 H VAL 34 H VAL 34 -3.003 4.605 -1.134 295 HA VAL 34 HA VAL 34 -2.054 7.284 -1.859 296 HB VAL 34 HB VAL 34 -3.754 8.163 -0.386 297 HG11 VAL 34 HG11 VAL 34 -5.784 7.268 -1.493 298 HG12 VAL 34 HG12 VAL 34 -4.483 7.652 -2.623 299 HG13 VAL 34 HG13 VAL 34 -4.799 5.974 -2.177 300 HG21 VAL 34 HG21 VAL 34 -3.816 5.384 0.589 301 HG22 VAL 34 HG22 VAL 34 -4.105 6.897 1.449 302 HG23 VAL 34 HG23 VAL 34 -5.382 6.185 0.463 303 H GLY 35 H GLY 35 -1.871 4.847 0.637 304 HA2 GLY 35 HA2 GLY 35 -0.680 6.538 2.617 305 HA3 GLY 35 HA3 GLY 35 -0.744 4.782 2.650 306 HA PRO 36 HA PRO 36 3.579 6.477 1.599 307 HB2 PRO 36 HB2 PRO 36 4.774 6.020 3.994 308 HB3 PRO 36 HB3 PRO 36 3.988 7.550 3.588 309 HG2 PRO 36 HG2 PRO 36 2.942 5.251 5.195 310 HG3 PRO 36 HG3 PRO 36 2.815 6.990 5.517 311 HD2 PRO 36 HD2 PRO 36 0.783 5.553 4.449 312 HD3 PRO 36 HD3 PRO 36 1.058 7.261 4.049 313 H THR 37 H THR 37 2.829 3.828 3.870 314 HA THR 37 HA THR 37 4.048 1.916 2.054 315 HB THR 37 HB THR 37 5.499 0.934 3.788 316 HG1 THR 37 HG1 THR 37 4.315 1.865 5.595 317 HG21 THR 37 HG21 THR 37 6.236 3.835 3.553 318 HG22 THR 37 HG22 THR 37 6.233 2.778 2.142 319 HG23 THR 37 HG23 THR 37 7.284 2.418 3.512 320 H LEU 38 H LEU 38 4.067 -0.336 3.423 321 HA LEU 38 HA LEU 38 1.321 -0.944 3.792 322 HB2 LEU 38 HB2 LEU 38 3.688 -2.615 4.612 323 HB3 LEU 38 HB3 LEU 38 2.048 -3.176 4.291 324 HG LEU 38 HG LEU 38 3.897 -2.009 2.213 325 HD11 LEU 38 HD11 LEU 38 4.945 -3.989 2.498 326 HD12 LEU 38 HD12 LEU 38 3.615 -4.574 1.498 327 HD13 LEU 38 HD13 LEU 38 3.544 -4.750 3.252 328 HD21 LEU 38 HD21 LEU 38 1.926 -3.593 1.045 329 HD22 LEU 38 HD22 LEU 38 2.037 -1.833 1.009 330 HD23 LEU 38 HD23 LEU 38 1.081 -2.632 2.259 331 H GLU 39 H GLU 39 3.920 -0.103 5.955 332 HA GLU 39 HA GLU 39 2.846 -1.051 8.366 333 HB2 GLU 39 HB2 GLU 39 5.024 0.633 7.541 334 HB3 GLU 39 HB3 GLU 39 4.208 1.362 8.917 335 HG2 GLU 39 HG2 GLU 39 5.595 0.062 10.100 336 HG3 GLU 39 HG3 GLU 39 4.390 -1.182 9.772 337 H TRP 40 H TRP 40 2.038 1.688 6.409 338 HA TRP 40 HA TRP 40 0.604 3.079 8.486 339 HB2 TRP 40 HB2 TRP 40 1.699 4.243 6.561 340 HB3 TRP 40 HB3 TRP 40 0.495 3.523 5.496 341 HD1 TRP 40 HD1 TRP 40 0.643 5.929 8.530 342 HE1 TRP 40 HE1 TRP 40 -1.326 7.575 8.334 343 HE3 TRP 40 HE3 TRP 40 -1.645 3.968 4.400 344 HZ2 TRP 40 HZ2 TRP 40 -3.554 7.987 6.651 345 HZ3 TRP 40 HZ3 TRP 40 -3.691 5.047 3.561 346 HH2 TRP 40 HH2 TRP 40 -4.624 7.014 4.665 347 H VAL 41 H VAL 41 -0.362 1.433 5.471 348 HA VAL 41 HA VAL 41 -3.110 1.573 5.812 349 HB VAL 41 HB VAL 41 -1.638 -0.748 4.562 350 HG11 VAL 41 HG11 VAL 41 -3.725 -0.673 3.074 351 HG12 VAL 41 HG12 VAL 41 -3.898 -1.330 4.702 352 HG13 VAL 41 HG13 VAL 41 -4.436 0.313 4.350 353 HG21 VAL 41 HG21 VAL 41 -2.043 2.046 3.664 354 HG22 VAL 41 HG22 VAL 41 -0.721 0.928 3.329 355 HG23 VAL 41 HG23 VAL 41 -2.248 0.773 2.461 356 H TRP 42 H TRP 42 -0.804 -0.774 7.085 357 HA TRP 42 HA TRP 42 -2.523 -2.712 8.046 358 HB2 TRP 42 HB2 TRP 42 -0.188 -3.130 8.161 359 HB3 TRP 42 HB3 TRP 42 0.098 -1.682 9.123 360 HD1 TRP 42 HD1 TRP 42 0.931 -2.540 11.392 361 HE1 TRP 42 HE1 TRP 42 0.107 -4.261 13.120 362 HE3 TRP 42 HE3 TRP 42 -2.977 -4.524 8.761 363 HZ2 TRP 42 HZ2 TRP 42 -1.930 -6.203 13.338 364 HZ3 TRP 42 HZ3 TRP 42 -4.313 -6.310 9.800 365 HH2 TRP 42 HH2 TRP 42 -3.798 -7.131 12.041 366 H GLN 43 H GLN 43 -1.285 0.104 9.855 367 HA GLN 43 HA GLN 43 -2.811 -0.292 12.160 368 HB2 GLN 43 HB2 GLN 43 -1.768 2.287 10.978 369 HB3 GLN 43 HB3 GLN 43 -2.393 2.114 12.613 370 HG2 GLN 43 HG2 GLN 43 0.057 0.806 11.459 371 HG3 GLN 43 HG3 GLN 43 -0.002 2.077 12.679 372 HE21 GLN 43 HE21 GLN 43 1.178 -0.608 12.765 373 HE22 GLN 43 HE22 GLN 43 0.458 -1.394 14.125 374 H LYS 44 H LYS 44 -3.464 1.817 9.367 375 HA LYS 44 HA LYS 44 -5.877 2.886 10.170 376 HB2 LYS 44 HB2 LYS 44 -4.688 2.257 7.502 377 HB3 LYS 44 HB3 LYS 44 -6.368 2.772 7.579 378 HG2 LYS 44 HG2 LYS 44 -4.124 4.336 8.822 379 HG3 LYS 44 HG3 LYS 44 -4.669 4.580 7.161 380 HD2 LYS 44 HD2 LYS 44 -7.019 4.821 8.245 381 HD3 LYS 44 HD3 LYS 44 -6.111 5.116 9.729 382 HE2 LYS 44 HE2 LYS 44 -5.456 6.616 7.223 383 HE3 LYS 44 HE3 LYS 44 -6.808 7.121 8.235 384 HZ1 LYS 44 HZ1 LYS 44 -4.221 6.642 9.522 385 HZ2 LYS 44 HZ2 LYS 44 -5.434 7.753 9.918 386 HZ3 LYS 44 HZ3 LYS 44 -4.404 8.056 8.611 387 H LEU 45 H LEU 45 -5.368 -0.095 8.289 388 HA LEU 45 HA LEU 45 -8.097 -0.819 8.193 389 HB2 LEU 45 HB2 LEU 45 -6.724 -1.817 6.591 390 HB3 LEU 45 HB3 LEU 45 -5.527 -2.305 7.789 391 HG LEU 45 HG LEU 45 -7.167 -3.976 8.648 392 HD11 LEU 45 HD11 LEU 45 -9.032 -2.552 7.298 393 HD12 LEU 45 HD12 LEU 45 -9.241 -4.221 7.825 394 HD13 LEU 45 HD13 LEU 45 -8.740 -3.876 6.170 395 HD21 LEU 45 HD21 LEU 45 -6.989 -4.800 5.870 396 HD22 LEU 45 HD22 LEU 45 -6.212 -5.474 7.303 397 HD23 LEU 45 HD23 LEU 45 -5.481 -4.105 6.463 398 H LYS 46 H LYS 46 -5.639 -1.197 10.601 399 HA LYS 46 HA LYS 46 -6.746 -3.349 12.049 400 HB2 LYS 46 HB2 LYS 46 -4.432 -2.028 12.229 401 HB3 LYS 46 HB3 LYS 46 -5.305 -1.192 13.507 402 HG2 LYS 46 HG2 LYS 46 -5.799 -3.424 14.517 403 HG3 LYS 46 HG3 LYS 46 -4.714 -4.135 13.320 404 HD2 LYS 46 HD2 LYS 46 -3.088 -2.247 14.253 405 HD3 LYS 46 HD3 LYS 46 -4.101 -2.447 15.684 406 HE2 LYS 46 HE2 LYS 46 -3.632 -5.025 15.091 407 HE3 LYS 46 HE3 LYS 46 -2.158 -4.301 14.449 408 HZ1 LYS 46 HZ1 LYS 46 -3.060 -3.569 17.148 409 HZ2 LYS 46 HZ2 LYS 46 -1.493 -3.603 16.513 410 HZ3 LYS 46 HZ3 LYS 46 -2.273 -5.048 16.917 411 H LYS 47 H LYS 47 -7.585 -0.004 11.832 412 HA LYS 47 HA LYS 47 -9.050 0.127 14.290 413 HB2 LYS 47 HB2 LYS 47 -8.037 2.038 12.771 414 HB3 LYS 47 HB3 LYS 47 -9.618 1.966 12.004 415 HG2 LYS 47 HG2 LYS 47 -9.500 2.161 14.966 416 HG3 LYS 47 HG3 LYS 47 -9.129 3.597 14.009 417 HD2 LYS 47 HD2 LYS 47 -11.573 2.025 13.348 418 HD3 LYS 47 HD3 LYS 47 -11.594 3.065 14.774 419 HE2 LYS 47 HE2 LYS 47 -10.579 4.177 12.204 420 HE3 LYS 47 HE3 LYS 47 -12.318 3.966 12.404 421 HZ1 LYS 47 HZ1 LYS 47 -11.119 5.197 14.683 422 HZ2 LYS 47 HZ2 LYS 47 -12.419 5.722 13.738 423 HZ3 LYS 47 HZ3 LYS 47 -10.835 6.089 13.274 424 H ILE 48 H ILE 48 -10.079 0.120 10.872 425 HA ILE 48 HA ILE 48 -12.814 -0.146 11.340 426 HB ILE 48 HB ILE 48 -11.997 0.441 9.146 427 HG12 ILE 48 HG12 ILE 48 -13.333 -2.265 8.969 428 HG13 ILE 48 HG13 ILE 48 -14.180 -0.779 9.383 429 HG21 ILE 48 HG21 ILE 48 -11.077 -1.605 7.768 430 HG22 ILE 48 HG22 ILE 48 -10.005 -0.612 8.754 431 HG23 ILE 48 HG23 ILE 48 -10.578 -2.164 9.365 432 HD11 ILE 48 HD11 ILE 48 -13.960 -1.786 6.885 433 HD12 ILE 48 HD12 ILE 48 -14.246 -0.086 7.257 434 HD13 ILE 48 HD13 ILE 48 -12.611 -0.651 6.913 435 H ALA 49 H ALA 49 -10.274 -2.467 11.575 436 HA ALA 49 HA ALA 49 -12.107 -4.732 11.521 437 HB1 ALA 49 HB1 ALA 49 -10.014 -5.061 10.398 438 HB2 ALA 49 HB2 ALA 49 -9.114 -4.584 11.838 439 HB3 ALA 49 HB3 ALA 49 -10.044 -6.083 11.835 440 H GLY 50 H GLY 50 -10.051 -2.970 13.792 441 HA2 GLY 50 HA2 GLY 50 -10.259 -2.772 16.086 442 HA3 GLY 50 HA3 GLY 50 -11.694 -3.783 16.002 443 H LEU 51 H LEU 51 -8.454 -4.602 14.860 444 HA LEU 51 HA LEU 51 -8.520 -7.094 16.269 445 HB2 LEU 51 HB2 LEU 51 -6.088 -5.905 14.981 446 HB3 LEU 51 HB3 LEU 51 -6.505 -7.605 15.186 447 HG LEU 51 HG LEU 51 -7.973 -5.726 13.340 448 HD11 LEU 51 HD11 LEU 51 -5.634 -7.543 12.856 449 HD12 LEU 51 HD12 LEU 51 -5.818 -5.843 12.426 450 HD13 LEU 51 HD13 LEU 51 -6.741 -7.075 11.566 451 HD21 LEU 51 HD21 LEU 51 -8.145 -8.626 13.998 452 HD22 LEU 51 HD22 LEU 51 -8.490 -8.103 12.350 453 HD23 LEU 51 HD23 LEU 51 -9.431 -7.458 13.695 Start of MODEL 20 1 H1 MET 1 H MET 1 6.097 -1.755 -2.784 2 HA MET 1 HA MET 1 4.908 -2.945 -0.506 3 HB2 MET 1 HB2 MET 1 4.289 -0.029 -0.996 4 HB3 MET 1 HB3 MET 1 3.324 -1.084 0.027 5 HG2 MET 1 HG2 MET 1 4.633 -0.121 1.607 6 HG3 MET 1 HG3 MET 1 5.645 -1.504 1.196 7 HE1 MET 1 HE1 MET 1 8.421 0.204 1.850 8 HE2 MET 1 HE2 MET 1 7.653 -1.321 1.410 9 HE3 MET 1 HE3 MET 1 8.708 -0.501 0.259 10 H SER 2 H SER 2 2.848 -3.732 -0.932 11 HA SER 2 HA SER 2 1.214 -2.899 -3.070 12 HB2 SER 2 HB2 SER 2 1.579 -4.574 -4.721 13 HB3 SER 2 HB3 SER 2 3.174 -3.939 -4.321 14 HG SER 2 HG SER 2 2.588 -6.403 -4.338 15 H TRP 3 H TRP 3 -0.424 -4.744 -3.629 16 HA TRP 3 HA TRP 3 -1.787 -5.421 -1.308 17 HB2 TRP 3 HB2 TRP 3 -2.953 -5.346 -3.408 18 HB3 TRP 3 HB3 TRP 3 -1.937 -6.621 -4.077 19 HD1 TRP 3 HD1 TRP 3 -3.219 -8.816 -4.235 20 HE1 TRP 3 HE1 TRP 3 -5.021 -10.018 -2.845 21 HE3 TRP 3 HE3 TRP 3 -3.839 -5.344 -0.535 22 HZ2 TRP 3 HZ2 TRP 3 -6.509 -9.555 -0.491 23 HZ3 TRP 3 HZ3 TRP 3 -5.472 -5.800 1.249 24 HH2 TRP 3 HH2 TRP 3 -6.778 -7.862 1.268 25 H LEU 4 H LEU 4 -0.213 -7.768 -3.489 26 HA LEU 4 HA LEU 4 -0.331 -9.959 -1.809 27 HB2 LEU 4 HB2 LEU 4 1.812 -9.262 -3.812 28 HB3 LEU 4 HB3 LEU 4 1.568 -10.858 -3.104 29 HG LEU 4 HG LEU 4 -0.474 -9.439 -4.809 30 HD11 LEU 4 HD11 LEU 4 0.276 -10.583 -6.675 31 HD12 LEU 4 HD12 LEU 4 1.190 -11.751 -5.721 32 HD13 LEU 4 HD13 LEU 4 1.781 -10.098 -5.893 33 HD21 LEU 4 HD21 LEU 4 -1.541 -11.031 -3.424 34 HD22 LEU 4 HD22 LEU 4 -0.259 -12.216 -3.672 35 HD23 LEU 4 HD23 LEU 4 -1.346 -11.802 -4.998 36 H ASN 5 H ASN 5 1.861 -7.253 -1.757 37 HA ASN 5 HA ASN 5 3.798 -8.456 -0.033 38 HB2 ASN 5 HB2 ASN 5 3.256 -5.658 -0.978 39 HB3 ASN 5 HB3 ASN 5 4.412 -5.945 0.319 40 HD21 ASN 5 HD21 ASN 5 5.494 -4.802 -1.721 41 HD22 ASN 5 HD22 ASN 5 6.391 -5.894 -2.715 42 H PHE 6 H PHE 6 0.913 -6.504 0.421 43 HA PHE 6 HA PHE 6 1.283 -5.874 3.138 44 HB2 PHE 6 HB2 PHE 6 -0.371 -4.726 1.750 45 HB3 PHE 6 HB3 PHE 6 -1.285 -6.221 1.577 46 HD1 PHE 6 HD2 PHE 6 -0.303 -3.551 3.901 47 HD2 PHE 6 HD1 PHE 6 -2.727 -6.999 3.308 48 HE1 PHE 6 HE2 PHE 6 -1.586 -2.993 5.925 49 HE2 PHE 6 HE1 PHE 6 -4.015 -6.446 5.330 50 HZ PHE 6 HZ PHE 6 -3.444 -4.441 6.642 51 H LEU 7 H LEU 7 -0.828 -8.371 1.706 52 HA LEU 7 HA LEU 7 -1.581 -9.636 4.043 53 HB2 LEU 7 HB2 LEU 7 -1.043 -10.963 1.391 54 HB3 LEU 7 HB3 LEU 7 -2.060 -11.590 2.687 55 HG LEU 7 HG LEU 7 -2.673 -9.006 1.276 56 HD11 LEU 7 HD11 LEU 7 -3.105 -11.798 0.388 57 HD12 LEU 7 HD12 LEU 7 -2.874 -10.327 -0.557 58 HD13 LEU 7 HD13 LEU 7 -4.440 -10.664 0.181 59 HD21 LEU 7 HD21 LEU 7 -3.982 -10.740 3.279 60 HD22 LEU 7 HD22 LEU 7 -5.023 -10.046 2.035 61 HD23 LEU 7 HD23 LEU 7 -4.056 -8.991 3.067 62 H LYS 8 H LYS 8 1.309 -10.153 2.076 63 HA LYS 8 HA LYS 8 2.294 -12.389 3.479 64 HB2 LYS 8 HB2 LYS 8 3.491 -10.347 1.653 65 HB3 LYS 8 HB3 LYS 8 4.561 -11.419 2.545 66 HG2 LYS 8 HG2 LYS 8 2.295 -12.567 0.982 67 HG3 LYS 8 HG3 LYS 8 3.766 -12.053 0.153 68 HD2 LYS 8 HD2 LYS 8 5.090 -13.515 1.606 69 HD3 LYS 8 HD3 LYS 8 3.617 -14.028 2.432 70 HE2 LYS 8 HE2 LYS 8 4.161 -14.399 -0.511 71 HE3 LYS 8 HE3 LYS 8 4.403 -15.639 0.719 72 HZ1 LYS 8 HZ1 LYS 8 2.298 -16.013 -0.265 73 HZ2 LYS 8 HZ2 LYS 8 1.841 -14.393 -0.101 74 HZ3 LYS 8 HZ3 LYS 8 1.999 -15.370 1.271 75 H TYR 9 H TYR 9 2.415 -8.970 4.116 76 HA TYR 9 HA TYR 9 4.474 -9.187 6.126 77 HB2 TYR 9 HB2 TYR 9 4.377 -7.122 4.920 78 HB3 TYR 9 HB3 TYR 9 2.664 -6.924 5.275 79 HD1 TYR 9 HD1 TYR 9 5.694 -7.617 7.361 80 HD2 TYR 9 HD2 TYR 9 2.297 -5.146 6.689 81 HE1 TYR 9 HE1 TYR 9 6.267 -6.298 9.356 82 HE2 TYR 9 HE2 TYR 9 2.861 -3.819 8.682 83 HH TYR 9 HH TYR 9 5.832 -4.399 10.495 84 H ILE 10 H ILE 10 1.020 -8.292 6.189 85 HA ILE 10 HA ILE 10 0.785 -8.350 8.998 86 HB ILE 10 HB ILE 10 -1.652 -8.428 8.619 87 HG12 ILE 10 HG12 ILE 10 -1.186 -8.333 5.664 88 HG13 ILE 10 HG13 ILE 10 -1.238 -9.898 6.470 89 HG21 ILE 10 HG21 ILE 10 0.030 -6.382 8.141 90 HG22 ILE 10 HG22 ILE 10 -0.784 -6.484 6.581 91 HG23 ILE 10 HG23 ILE 10 -1.725 -6.244 8.053 92 HD11 ILE 10 HD11 ILE 10 -3.392 -8.860 5.438 93 HD12 ILE 10 HD12 ILE 10 -3.462 -9.707 6.984 94 HD13 ILE 10 HD13 ILE 10 -3.433 -7.944 6.944 95 H ALA 11 H ALA 11 0.954 -10.854 6.683 96 HA ALA 11 HA ALA 11 -0.598 -12.878 7.736 97 HB1 ALA 11 HB1 ALA 11 1.978 -12.854 6.230 98 HB2 ALA 11 HB2 ALA 11 1.351 -14.378 6.861 99 HB3 ALA 11 HB3 ALA 11 0.387 -13.429 5.730 100 H LYS 12 H LYS 12 2.407 -11.569 8.925 101 HA LYS 12 HA LYS 12 3.162 -13.663 10.641 102 HB2 LYS 12 HB2 LYS 12 4.584 -12.051 11.734 103 HB3 LYS 12 HB3 LYS 12 4.616 -11.748 10.002 104 HG2 LYS 12 HG2 LYS 12 2.850 -9.979 10.423 105 HG3 LYS 12 HG3 LYS 12 3.218 -10.171 12.139 106 HD2 LYS 12 HD2 LYS 12 5.689 -9.833 11.332 107 HD3 LYS 12 HD3 LYS 12 4.913 -9.072 9.940 108 HE2 LYS 12 HE2 LYS 12 4.080 -7.335 11.183 109 HE3 LYS 12 HE3 LYS 12 4.030 -8.280 12.670 110 HZ1 LYS 12 HZ1 LYS 12 5.874 -7.181 13.207 111 HZ2 LYS 12 HZ2 LYS 12 6.129 -6.625 11.630 112 HZ3 LYS 12 HZ3 LYS 12 6.677 -8.160 12.085 113 H TYR 13 H TYR 13 0.914 -10.994 11.034 114 HA TYR 13 HA TYR 13 0.540 -11.187 13.814 115 HB2 TYR 13 HB2 TYR 13 -1.336 -10.227 11.646 116 HB3 TYR 13 HB3 TYR 13 -1.628 -10.022 13.369 117 HD1 TYR 13 HD2 TYR 13 0.589 -8.997 14.612 118 HD2 TYR 13 HD1 TYR 13 -0.553 -8.358 10.563 119 HE1 TYR 13 HE2 TYR 13 1.877 -6.902 14.586 120 HE2 TYR 13 HE1 TYR 13 0.734 -6.262 10.525 121 HH TYR 13 HH TYR 13 2.083 -4.882 13.407 122 H GLY 14 H GLY 14 -0.561 -13.150 11.201 123 HA2 GLY 14 HA2 GLY 14 -1.243 -15.428 11.971 124 HA3 GLY 14 HA3 GLY 14 -2.345 -14.598 13.060 125 H LYS 15 H LYS 15 -3.925 -16.026 11.975 126 HA LYS 15 HA LYS 15 -4.667 -15.183 9.276 127 HB2 LYS 15 HB2 LYS 15 -6.135 -17.095 9.243 128 HB3 LYS 15 HB3 LYS 15 -4.558 -17.607 9.831 129 HG2 LYS 15 HG2 LYS 15 -5.401 -17.530 12.131 130 HG3 LYS 15 HG3 LYS 15 -6.988 -17.053 11.522 131 HD2 LYS 15 HD2 LYS 15 -7.197 -19.352 11.827 132 HD3 LYS 15 HD3 LYS 15 -6.846 -19.201 10.103 133 HE2 LYS 15 HE2 LYS 15 -5.495 -20.968 10.941 134 HE3 LYS 15 HE3 LYS 15 -4.431 -19.590 10.662 135 HZ1 LYS 15 HZ1 LYS 15 -3.751 -19.940 12.739 136 HZ2 LYS 15 HZ2 LYS 15 -5.060 -20.944 13.112 137 HZ3 LYS 15 HZ3 LYS 15 -5.220 -19.264 13.236 138 H LYS 16 H LYS 16 -5.039 -13.551 11.773 139 HA LYS 16 HA LYS 16 -7.967 -13.326 11.799 140 HB2 LYS 16 HB2 LYS 16 -7.553 -11.837 13.795 141 HB3 LYS 16 HB3 LYS 16 -7.099 -13.523 14.006 142 HG2 LYS 16 HG2 LYS 16 -4.821 -13.049 13.913 143 HG3 LYS 16 HG3 LYS 16 -5.085 -11.474 13.161 144 HD2 LYS 16 HD2 LYS 16 -4.487 -11.065 15.424 145 HD3 LYS 16 HD3 LYS 16 -6.222 -10.767 15.293 146 HE2 LYS 16 HE2 LYS 16 -5.733 -12.021 17.311 147 HE3 LYS 16 HE3 LYS 16 -6.660 -13.013 16.186 148 HZ1 LYS 16 HZ1 LYS 16 -4.986 -14.457 15.962 149 HZ2 LYS 16 HZ2 LYS 16 -4.395 -13.792 17.400 150 HZ3 LYS 16 HZ3 LYS 16 -3.797 -13.255 15.911 151 H ALA 17 H ALA 17 -5.047 -11.675 10.902 152 HA ALA 17 HA ALA 17 -6.482 -9.189 10.356 153 HB1 ALA 17 HB1 ALA 17 -4.361 -8.907 11.427 154 HB2 ALA 17 HB2 ALA 17 -3.556 -9.891 10.205 155 HB3 ALA 17 HB3 ALA 17 -4.222 -8.317 9.771 156 H VAL 18 H VAL 18 -5.111 -11.939 8.727 157 HA VAL 18 HA VAL 18 -4.932 -10.852 6.127 158 HB VAL 18 HB VAL 18 -3.831 -12.960 6.783 159 HG11 VAL 18 HG11 VAL 18 -5.896 -13.743 8.086 160 HG12 VAL 18 HG12 VAL 18 -6.489 -14.329 6.531 161 HG13 VAL 18 HG13 VAL 18 -4.978 -14.953 7.192 162 HG21 VAL 18 HG21 VAL 18 -5.717 -12.988 4.444 163 HG22 VAL 18 HG22 VAL 18 -3.991 -12.627 4.460 164 HG23 VAL 18 HG23 VAL 18 -4.548 -14.279 4.724 165 H SER 19 H SER 19 -7.569 -12.264 7.947 166 HA SER 19 HA SER 19 -9.336 -12.566 5.726 167 HB2 SER 19 HB2 SER 19 -9.389 -13.654 8.131 168 HB3 SER 19 HB3 SER 19 -10.360 -12.234 8.519 169 HG SER 19 HG SER 19 -10.963 -13.776 6.246 170 H ALA 20 H ALA 20 -9.086 -10.174 8.348 171 HA ALA 20 HA ALA 20 -11.206 -8.537 7.681 172 HB1 ALA 20 HB1 ALA 20 -9.588 -6.681 8.611 173 HB2 ALA 20 HB2 ALA 20 -10.241 -7.934 9.667 174 HB3 ALA 20 HB3 ALA 20 -8.599 -8.077 9.041 175 H ALA 21 H ALA 21 -7.955 -8.614 6.310 176 HA ALA 21 HA ALA 21 -8.203 -6.281 4.729 177 HB1 ALA 21 HB1 ALA 21 -6.438 -8.658 4.170 178 HB2 ALA 21 HB2 ALA 21 -6.205 -6.995 3.628 179 HB3 ALA 21 HB3 ALA 21 -6.054 -7.394 5.339 180 H TRP 22 H TRP 22 -8.910 -9.685 4.128 181 HA TRP 22 HA TRP 22 -9.471 -9.369 1.356 182 HB2 TRP 22 HB2 TRP 22 -9.870 -11.521 3.384 183 HB3 TRP 22 HB3 TRP 22 -10.783 -11.616 1.880 184 HD1 TRP 22 HD1 TRP 22 -7.640 -12.753 3.298 185 HE1 TRP 22 HE1 TRP 22 -5.965 -13.428 1.463 186 HE3 TRP 22 HE3 TRP 22 -9.948 -10.617 -0.732 187 HZ2 TRP 22 HZ2 TRP 22 -5.663 -13.097 -1.323 188 HZ3 TRP 22 HZ3 TRP 22 -8.900 -10.842 -2.947 189 HH2 TRP 22 HH2 TRP 22 -6.802 -12.056 -3.235 190 H LYS 23 H LYS 23 -11.355 -9.088 4.286 191 HA LYS 23 HA LYS 23 -13.900 -9.059 2.966 192 HB2 LYS 23 HB2 LYS 23 -13.326 -9.625 5.448 193 HB3 LYS 23 HB3 LYS 23 -13.421 -7.885 5.685 194 HG2 LYS 23 HG2 LYS 23 -15.725 -8.054 4.578 195 HG3 LYS 23 HG3 LYS 23 -15.585 -9.789 4.870 196 HD2 LYS 23 HD2 LYS 23 -15.121 -7.828 7.087 197 HD3 LYS 23 HD3 LYS 23 -16.761 -8.300 6.635 198 HE2 LYS 23 HE2 LYS 23 -14.559 -10.219 7.387 199 HE3 LYS 23 HE3 LYS 23 -15.817 -9.654 8.485 200 HZ1 LYS 23 HZ1 LYS 23 -15.936 -11.695 6.492 201 HZ2 LYS 23 HZ2 LYS 23 -17.177 -10.563 6.296 202 HZ3 LYS 23 HZ3 LYS 23 -16.999 -11.376 7.769 203 H TYR 24 H TYR 24 -11.723 -6.599 4.296 204 HA TYR 24 HA TYR 24 -13.405 -4.514 3.090 205 HB2 TYR 24 HB2 TYR 24 -11.137 -4.103 5.039 206 HB3 TYR 24 HB3 TYR 24 -12.390 -2.953 4.589 207 HD1 TYR 24 HD1 TYR 24 -14.827 -4.573 4.807 208 HD2 TYR 24 HD2 TYR 24 -11.399 -4.446 7.324 209 HE1 TYR 24 HE1 TYR 24 -16.200 -5.321 6.705 210 HE2 TYR 24 HE2 TYR 24 -12.763 -5.196 9.229 211 HH TYR 24 HH TYR 24 -15.076 -5.236 9.934 212 H LYS 25 H LYS 25 -11.599 -6.220 1.566 213 HA LYS 25 HA LYS 25 -9.183 -4.937 0.943 214 HB2 LYS 25 HB2 LYS 25 -9.592 -7.218 0.252 215 HB3 LYS 25 HB3 LYS 25 -10.954 -6.715 -0.741 216 HG2 LYS 25 HG2 LYS 25 -9.440 -5.482 -2.205 217 HG3 LYS 25 HG3 LYS 25 -8.071 -5.975 -1.206 218 HD2 LYS 25 HD2 LYS 25 -8.125 -8.137 -1.957 219 HD3 LYS 25 HD3 LYS 25 -9.859 -8.094 -2.285 220 HE2 LYS 25 HE2 LYS 25 -9.075 -8.054 -4.425 221 HE3 LYS 25 HE3 LYS 25 -9.101 -6.322 -4.098 222 HZ1 LYS 25 HZ1 LYS 25 -6.907 -7.941 -4.771 223 HZ2 LYS 25 HZ2 LYS 25 -6.647 -7.311 -3.223 224 HZ3 LYS 25 HZ3 LYS 25 -6.943 -6.268 -4.521 225 H GLY 26 H GLY 26 -12.441 -4.174 0.124 226 HA2 GLY 26 HA2 GLY 26 -12.013 -2.732 -2.265 227 HA3 GLY 26 HA3 GLY 26 -13.373 -2.523 -1.171 228 H LYS 27 H LYS 27 -11.436 -1.923 1.056 229 HA LYS 27 HA LYS 27 -10.948 0.880 0.303 230 HB2 LYS 27 HB2 LYS 27 -10.955 1.256 2.813 231 HB3 LYS 27 HB3 LYS 27 -12.498 0.815 2.092 232 HG2 LYS 27 HG2 LYS 27 -12.153 -1.507 2.819 233 HG3 LYS 27 HG3 LYS 27 -10.638 -1.024 3.586 234 HD2 LYS 27 HD2 LYS 27 -12.250 -1.050 5.310 235 HD3 LYS 27 HD3 LYS 27 -12.007 0.652 4.910 236 HE2 LYS 27 HE2 LYS 27 -14.016 0.102 3.235 237 HE3 LYS 27 HE3 LYS 27 -14.365 -1.092 4.484 238 HZ1 LYS 27 HZ1 LYS 27 -15.030 1.577 4.517 239 HZ2 LYS 27 HZ2 LYS 27 -13.765 1.436 5.631 240 HZ3 LYS 27 HZ3 LYS 27 -15.154 0.486 5.804 241 H VAL 28 H VAL 28 -9.466 -2.042 1.349 242 HA VAL 28 HA VAL 28 -7.134 -1.046 2.554 243 HB VAL 28 HB VAL 28 -7.494 -3.596 0.974 244 HG11 VAL 28 HG11 VAL 28 -5.565 -4.287 2.575 245 HG12 VAL 28 HG12 VAL 28 -5.196 -3.379 1.108 246 HG13 VAL 28 HG13 VAL 28 -5.261 -2.553 2.665 247 HG21 VAL 28 HG21 VAL 28 -7.330 -3.762 3.880 248 HG22 VAL 28 HG22 VAL 28 -8.734 -2.859 3.312 249 HG23 VAL 28 HG23 VAL 28 -8.471 -4.515 2.765 250 H LEU 29 H LEU 29 -7.705 -2.065 -0.813 251 HA LEU 29 HA LEU 29 -5.197 -1.512 -1.845 252 HB2 LEU 29 HB2 LEU 29 -7.944 -1.593 -2.984 253 HB3 LEU 29 HB3 LEU 29 -6.645 -0.936 -3.978 254 HG LEU 29 HG LEU 29 -7.024 -3.267 -4.512 255 HD11 LEU 29 HD11 LEU 29 -4.460 -3.063 -2.951 256 HD12 LEU 29 HD12 LEU 29 -4.711 -2.286 -4.514 257 HD13 LEU 29 HD13 LEU 29 -4.788 -4.043 -4.381 258 HD21 LEU 29 HD21 LEU 29 -6.525 -5.010 -2.808 259 HD22 LEU 29 HD22 LEU 29 -7.979 -4.072 -2.466 260 HD23 LEU 29 HD23 LEU 29 -6.488 -3.741 -1.584 261 H GLU 30 H GLU 30 -7.751 0.665 -0.950 262 HA GLU 30 HA GLU 30 -6.779 2.927 -2.396 263 HB2 GLU 30 HB2 GLU 30 -8.611 2.807 0.006 264 HB3 GLU 30 HB3 GLU 30 -8.351 4.217 -1.011 265 HG2 GLU 30 HG2 GLU 30 -9.459 1.609 -2.015 266 HG3 GLU 30 HG3 GLU 30 -10.451 2.961 -1.473 267 H TRP 31 H TRP 31 -6.364 1.699 0.883 268 HA TRP 31 HA TRP 31 -4.902 3.960 1.826 269 HB2 TRP 31 HB2 TRP 31 -5.208 1.145 2.876 270 HB3 TRP 31 HB3 TRP 31 -4.267 2.383 3.705 271 HD1 TRP 31 HD1 TRP 31 -6.255 4.838 3.343 272 HE1 TRP 31 HE1 TRP 31 -8.468 4.879 4.657 273 HE3 TRP 31 HE3 TRP 31 -6.701 -0.157 4.340 274 HZ2 TRP 31 HZ2 TRP 31 -10.176 3.039 5.945 275 HZ3 TRP 31 HZ3 TRP 31 -8.654 -0.934 5.619 276 HH2 TRP 31 HH2 TRP 31 -10.354 0.632 6.405 277 H LEU 32 H LEU 32 -4.088 1.098 0.063 278 HA LEU 32 HA LEU 32 -1.260 1.263 0.636 279 HB2 LEU 32 HB2 LEU 32 -2.655 -0.370 -1.475 280 HB3 LEU 32 HB3 LEU 32 -1.024 -0.608 -0.852 281 HG LEU 32 HG LEU 32 -3.371 -0.835 0.989 282 HD11 LEU 32 HD11 LEU 32 -4.202 -2.424 -0.372 283 HD12 LEU 32 HD12 LEU 32 -2.923 -3.409 0.337 284 HD13 LEU 32 HD13 LEU 32 -2.677 -2.641 -1.231 285 HD21 LEU 32 HD21 LEU 32 -0.540 -1.257 1.107 286 HD22 LEU 32 HD22 LEU 32 -1.383 -2.770 1.440 287 HD23 LEU 32 HD23 LEU 32 -1.735 -1.333 2.402 288 H ASN 33 H ASN 33 -3.430 2.730 -1.518 289 HA ASN 33 HA ASN 33 -1.320 3.351 -3.457 290 HB2 ASN 33 HB2 ASN 33 -3.400 2.562 -4.432 291 HB3 ASN 33 HB3 ASN 33 -4.311 3.795 -3.566 292 HD21 ASN 33 HD21 ASN 33 -4.839 5.494 -4.716 293 HD22 ASN 33 HD22 ASN 33 -3.989 6.102 -6.092 294 H VAL 34 H VAL 34 -3.273 4.750 -0.956 295 HA VAL 34 HA VAL 34 -2.335 7.447 -1.637 296 HB VAL 34 HB VAL 34 -3.994 8.297 -0.106 297 HG11 VAL 34 HG11 VAL 34 -6.051 7.471 -1.186 298 HG12 VAL 34 HG12 VAL 34 -4.766 7.807 -2.348 299 HG13 VAL 34 HG13 VAL 34 -5.127 6.143 -1.888 300 HG21 VAL 34 HG21 VAL 34 -5.587 6.217 0.691 301 HG22 VAL 34 HG22 VAL 34 -3.967 5.544 0.873 302 HG23 VAL 34 HG23 VAL 34 -4.399 7.038 1.703 303 H GLY 35 H GLY 35 -1.961 4.889 0.666 304 HA2 GLY 35 HA2 GLY 35 -0.730 6.549 2.687 305 HA3 GLY 35 HA3 GLY 35 -0.856 4.796 2.707 306 HA PRO 36 HA PRO 36 3.485 6.355 1.514 307 HB2 PRO 36 HB2 PRO 36 4.744 5.869 3.869 308 HB3 PRO 36 HB3 PRO 36 3.994 7.422 3.484 309 HG2 PRO 36 HG2 PRO 36 2.931 5.162 5.135 310 HG3 PRO 36 HG3 PRO 36 2.870 6.906 5.453 311 HD2 PRO 36 HD2 PRO 36 0.759 5.531 4.462 312 HD3 PRO 36 HD3 PRO 36 1.074 7.227 4.044 313 H THR 37 H THR 37 2.729 3.740 3.822 314 HA THR 37 HA THR 37 3.909 1.808 1.981 315 HB THR 37 HB THR 37 5.323 0.777 3.640 316 HG1 THR 37 HG1 THR 37 4.228 2.749 5.372 317 HG21 THR 37 HG21 THR 37 5.840 3.750 3.721 318 HG22 THR 37 HG22 THR 37 6.211 2.720 2.338 319 HG23 THR 37 HG23 THR 37 7.024 2.453 3.880 320 H LEU 38 H LEU 38 3.815 -0.457 3.396 321 HA LEU 38 HA LEU 38 1.038 -1.013 3.554 322 HB2 LEU 38 HB2 LEU 38 3.387 -2.664 4.471 323 HB3 LEU 38 HB3 LEU 38 1.737 -3.250 4.274 324 HG LEU 38 HG LEU 38 3.464 -2.209 2.030 325 HD11 LEU 38 HD11 LEU 38 4.542 -4.164 2.432 326 HD12 LEU 38 HD12 LEU 38 3.204 -4.795 1.472 327 HD13 LEU 38 HD13 LEU 38 3.152 -4.898 3.232 328 HD21 LEU 38 HD21 LEU 38 1.476 -3.848 1.028 329 HD22 LEU 38 HD22 LEU 38 1.513 -2.086 0.961 330 HD23 LEU 38 HD23 LEU 38 0.657 -2.902 2.270 331 H GLU 39 H GLU 39 3.486 -0.218 5.911 332 HA GLU 39 HA GLU 39 2.267 -1.112 8.247 333 HB2 GLU 39 HB2 GLU 39 4.390 0.727 7.536 334 HB3 GLU 39 HB3 GLU 39 3.478 1.316 8.918 335 HG2 GLU 39 HG2 GLU 39 4.849 0.037 10.118 336 HG3 GLU 39 HG3 GLU 39 3.832 -1.297 9.578 337 H TRP 40 H TRP 40 2.086 2.152 6.819 338 HA TRP 40 HA TRP 40 0.277 3.273 8.575 339 HB2 TRP 40 HB2 TRP 40 1.491 4.487 6.764 340 HB3 TRP 40 HB3 TRP 40 0.378 3.783 5.595 341 HD1 TRP 40 HD1 TRP 40 0.348 6.198 8.613 342 HE1 TRP 40 HE1 TRP 40 -1.640 7.808 8.328 343 HE3 TRP 40 HE3 TRP 40 -1.776 4.136 4.445 344 HZ2 TRP 40 HZ2 TRP 40 -3.820 8.157 6.570 345 HZ3 TRP 40 HZ3 TRP 40 -3.812 5.167 3.525 346 HH2 TRP 40 HH2 TRP 40 -4.811 7.136 4.567 347 H VAL 41 H VAL 41 -0.353 1.267 5.736 348 HA VAL 41 HA VAL 41 -3.179 1.541 5.799 349 HB VAL 41 HB VAL 41 -1.574 -0.734 4.626 350 HG11 VAL 41 HG11 VAL 41 -4.418 0.130 4.437 351 HG12 VAL 41 HG12 VAL 41 -3.653 -0.598 3.023 352 HG13 VAL 41 HG13 VAL 41 -3.736 -1.493 4.541 353 HG21 VAL 41 HG21 VAL 41 -2.029 2.046 3.731 354 HG22 VAL 41 HG22 VAL 41 -0.680 0.957 3.410 355 HG23 VAL 41 HG23 VAL 41 -2.185 0.787 2.506 356 H TRP 42 H TRP 42 -0.933 -0.850 7.126 357 HA TRP 42 HA TRP 42 -2.701 -2.774 8.006 358 HB2 TRP 42 HB2 TRP 42 -0.395 -3.242 8.222 359 HB3 TRP 42 HB3 TRP 42 -0.103 -1.782 9.163 360 HD1 TRP 42 HD1 TRP 42 0.686 -2.647 11.451 361 HE1 TRP 42 HE1 TRP 42 -0.227 -4.304 13.196 362 HE3 TRP 42 HE3 TRP 42 -3.267 -4.520 8.804 363 HZ2 TRP 42 HZ2 TRP 42 -2.343 -6.159 13.421 364 HZ3 TRP 42 HZ3 TRP 42 -4.686 -6.232 9.856 365 HH2 TRP 42 HH2 TRP 42 -4.231 -7.034 12.117 366 H GLN 43 H GLN 43 -1.443 -0.089 9.997 367 HA GLN 43 HA GLN 43 -3.038 -0.460 12.216 368 HB2 GLN 43 HB2 GLN 43 -1.996 2.113 11.025 369 HB3 GLN 43 HB3 GLN 43 -2.728 1.998 12.620 370 HG2 GLN 43 HG2 GLN 43 -0.594 1.770 13.275 371 HG3 GLN 43 HG3 GLN 43 -0.868 0.083 12.845 372 HE21 GLN 43 HE21 GLN 43 0.978 -0.615 12.019 373 HE22 GLN 43 HE22 GLN 43 1.873 0.155 10.758 374 H LYS 44 H LYS 44 -3.713 1.636 9.416 375 HA LYS 44 HA LYS 44 -6.177 2.616 10.194 376 HB2 LYS 44 HB2 LYS 44 -4.879 2.107 7.560 377 HB3 LYS 44 HB3 LYS 44 -6.595 2.489 7.571 378 HG2 LYS 44 HG2 LYS 44 -5.312 4.354 9.260 379 HG3 LYS 44 HG3 LYS 44 -4.370 4.248 7.771 380 HD2 LYS 44 HD2 LYS 44 -6.316 4.732 6.443 381 HD3 LYS 44 HD3 LYS 44 -7.357 4.661 7.867 382 HE2 LYS 44 HE2 LYS 44 -6.714 6.714 8.607 383 HE3 LYS 44 HE3 LYS 44 -5.087 6.564 7.944 384 HZ1 LYS 44 HZ1 LYS 44 -7.495 7.620 6.722 385 HZ2 LYS 44 HZ2 LYS 44 -6.544 6.651 5.713 386 HZ3 LYS 44 HZ3 LYS 44 -5.874 8.020 6.446 387 H LEU 45 H LEU 45 -5.576 -0.256 8.164 388 HA LEU 45 HA LEU 45 -8.258 -1.086 8.042 389 HB2 LEU 45 HB2 LEU 45 -6.825 -1.991 6.437 390 HB3 LEU 45 HB3 LEU 45 -5.636 -2.478 7.643 391 HG LEU 45 HG LEU 45 -7.242 -4.221 8.421 392 HD11 LEU 45 HD11 LEU 45 -9.132 -2.825 7.103 393 HD12 LEU 45 HD12 LEU 45 -9.282 -4.532 7.521 394 HD13 LEU 45 HD13 LEU 45 -8.759 -4.063 5.903 395 HD21 LEU 45 HD21 LEU 45 -6.985 -4.973 5.634 396 HD22 LEU 45 HD22 LEU 45 -6.199 -5.644 7.063 397 HD23 LEU 45 HD23 LEU 45 -5.513 -4.231 6.260 398 H LYS 46 H LYS 46 -5.877 -1.370 10.513 399 HA LYS 46 HA LYS 46 -7.089 -3.586 11.878 400 HB2 LYS 46 HB2 LYS 46 -4.662 -2.968 12.049 401 HB3 LYS 46 HB3 LYS 46 -5.142 -1.554 12.979 402 HG2 LYS 46 HG2 LYS 46 -6.306 -3.240 14.536 403 HG3 LYS 46 HG3 LYS 46 -5.296 -4.445 13.734 404 HD2 LYS 46 HD2 LYS 46 -3.640 -2.246 14.408 405 HD3 LYS 46 HD3 LYS 46 -4.604 -2.645 15.832 406 HE2 LYS 46 HE2 LYS 46 -3.881 -5.115 15.033 407 HE3 LYS 46 HE3 LYS 46 -2.492 -4.189 14.467 408 HZ1 LYS 46 HZ1 LYS 46 -3.502 -4.468 17.233 409 HZ2 LYS 46 HZ2 LYS 46 -2.446 -3.222 16.793 410 HZ3 LYS 46 HZ3 LYS 46 -1.962 -4.835 16.635 411 H LYS 47 H LYS 47 -7.496 -0.149 11.841 412 HA LYS 47 HA LYS 47 -8.835 0.038 14.368 413 HB2 LYS 47 HB2 LYS 47 -7.622 1.892 12.986 414 HB3 LYS 47 HB3 LYS 47 -9.168 2.042 12.162 415 HG2 LYS 47 HG2 LYS 47 -10.276 2.600 14.215 416 HG3 LYS 47 HG3 LYS 47 -8.808 2.280 15.141 417 HD2 LYS 47 HD2 LYS 47 -8.697 4.286 12.942 418 HD3 LYS 47 HD3 LYS 47 -9.490 4.734 14.454 419 HE2 LYS 47 HE2 LYS 47 -7.372 5.362 14.982 420 HE3 LYS 47 HE3 LYS 47 -7.272 3.671 15.468 421 HZ1 LYS 47 HZ1 LYS 47 -6.671 3.859 12.735 422 HZ2 LYS 47 HZ2 LYS 47 -5.661 3.373 14.002 423 HZ3 LYS 47 HZ3 LYS 47 -5.736 5.004 13.559 424 H ILE 48 H ILE 48 -9.791 -0.499 11.048 425 HA ILE 48 HA ILE 48 -12.605 -0.146 11.583 426 HB ILE 48 HB ILE 48 -11.723 0.388 9.367 427 HG12 ILE 48 HG12 ILE 48 -13.547 -2.021 9.228 428 HG13 ILE 48 HG13 ILE 48 -14.081 -0.404 9.672 429 HG21 ILE 48 HG21 ILE 48 -11.061 -1.484 7.852 430 HG22 ILE 48 HG22 ILE 48 -9.929 -1.176 9.169 431 HG23 ILE 48 HG23 ILE 48 -11.039 -2.543 9.262 432 HD11 ILE 48 HD11 ILE 48 -14.031 -1.475 7.138 433 HD12 ILE 48 HD12 ILE 48 -14.207 0.231 7.551 434 HD13 ILE 48 HD13 ILE 48 -12.614 -0.425 7.175 435 H ALA 49 H ALA 49 -10.312 -2.759 11.523 436 HA ALA 49 HA ALA 49 -12.399 -4.789 11.596 437 HB1 ALA 49 HB1 ALA 49 -9.421 -4.846 11.374 438 HB2 ALA 49 HB2 ALA 49 -10.294 -6.293 11.878 439 HB3 ALA 49 HB3 ALA 49 -10.640 -5.554 10.314 440 H GLY 50 H GLY 50 -10.271 -3.080 13.747 441 HA2 GLY 50 HA2 GLY 50 -10.284 -2.975 16.050 442 HA3 GLY 50 HA3 GLY 50 -11.675 -4.048 16.042 443 H LEU 51 H LEU 51 -8.557 -4.766 14.580 444 HA LEU 51 HA LEU 51 -8.391 -7.219 16.079 445 HB2 LEU 51 HB2 LEU 51 -6.212 -6.129 14.339 446 HB3 LEU 51 HB3 LEU 51 -6.625 -7.810 14.674 447 HG LEU 51 HG LEU 51 -8.358 -5.962 13.041 448 HD11 LEU 51 HD11 LEU 51 -6.341 -6.135 11.822 449 HD12 LEU 51 HD12 LEU 51 -7.453 -7.301 11.106 450 HD13 LEU 51 HD13 LEU 51 -6.179 -7.852 12.193 451 HD21 LEU 51 HD21 LEU 51 -8.509 -8.763 13.937 452 HD22 LEU 51 HD22 LEU 51 -8.904 -8.479 12.242 453 HD23 LEU 51 HD23 LEU 51 -9.794 -7.634 13.508
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