NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14105 | 1wfi | 10084 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.403 -16.443 8.269 2 HA2 GLY 1 1HA GLY 1 3.551 -14.946 7.639 3 HA3 GLY 1 2HA GLY 1 2.760 -13.954 8.848 4 H SER 2 H SER 2 5.178 -14.727 9.631 5 HA SER 2 HA SER 2 6.318 -15.760 11.161 6 HB2 SER 2 1HB SER 2 4.490 -15.129 12.674 7 HB3 SER 2 2HB SER 2 3.571 -16.551 12.221 8 HG SER 2 HG SER 2 4.639 -17.674 13.688 9 H SER 3 H SER 3 7.390 -17.294 9.839 10 HA SER 3 HA SER 3 6.172 -19.942 9.927 11 HB2 SER 3 1HB SER 3 7.905 -18.871 7.660 12 HB3 SER 3 2HB SER 3 7.092 -20.423 7.709 13 HG SER 3 HG SER 3 5.603 -19.288 6.611 14 H GLY 4 H GLY 4 9.273 -18.117 9.368 15 HA2 GLY 4 1HA GLY 4 10.765 -18.978 11.421 16 HA3 GLY 4 2HA GLY 4 10.842 -20.355 10.339 17 H SER 5 H SER 5 10.990 -19.364 7.805 18 HA SER 5 HA SER 5 13.421 -17.772 7.962 19 HB2 SER 5 1HB SER 5 12.405 -19.744 5.876 20 HB3 SER 5 2HB SER 5 13.779 -18.695 5.585 21 HG SER 5 HG SER 5 15.015 -19.825 6.983 22 H SER 6 H SER 6 13.637 -15.870 6.687 23 HA SER 6 HA SER 6 13.039 -14.155 5.492 24 HB2 SER 6 1HB SER 6 12.040 -16.206 3.989 25 HB3 SER 6 2HB SER 6 10.554 -15.339 4.321 26 HG SER 6 HG SER 6 12.734 -14.616 2.704 27 H GLY 7 H GLY 7 11.363 -12.369 5.406 28 HA2 GLY 7 1HA GLY 7 9.245 -12.732 7.432 29 HA3 GLY 7 2HA GLY 7 10.349 -11.373 7.501 30 HA PRO 8 HA PRO 8 6.795 -10.434 4.687 31 HB2 PRO 8 1HB PRO 8 5.252 -8.860 6.303 32 HB3 PRO 8 2HB PRO 8 4.937 -10.564 6.041 33 HG2 PRO 8 1HG PRO 8 6.105 -9.239 8.411 34 HG3 PRO 8 2HG PRO 8 5.398 -10.837 8.284 35 HD2 PRO 8 1HD PRO 8 8.192 -10.201 8.403 36 HD3 PRO 8 2HD PRO 8 7.487 -11.787 8.159 37 H ASN 9 H ASN 9 5.686 -7.889 4.658 38 HA ASN 9 HA ASN 9 8.081 -6.250 4.778 39 HB2 ASN 9 1HB ASN 9 7.795 -6.960 2.410 40 HB3 ASN 9 2HB ASN 9 6.124 -6.434 2.427 41 HD21 ASN 9 1HD2 ASN 9 7.580 -5.433 0.501 42 HD22 ASN 9 2HD2 ASN 9 8.020 -3.778 0.756 43 H TYR 10 H TYR 10 4.495 -6.483 4.262 44 HA TYR 10 HA TYR 10 4.222 -3.925 5.693 45 HB2 TYR 10 1HB TYR 10 2.012 -3.917 4.287 46 HB3 TYR 10 2HB TYR 10 3.490 -3.669 3.380 47 HD1 TYR 10 2HD TYR 10 0.989 -6.262 4.335 48 HD2 TYR 10 1HD TYR 10 4.106 -5.140 1.628 49 HE1 TYR 10 2HE TYR 10 0.408 -8.233 2.838 50 HE2 TYR 10 1HE TYR 10 3.515 -7.115 0.140 51 HH TYR 10 HH TYR 10 1.826 -8.578 -0.318 52 H ARG 11 H ARG 11 2.289 -3.710 7.051 53 HA ARG 11 HA ARG 11 1.724 -6.235 8.286 54 HB2 ARG 11 1HB ARG 11 0.878 -3.394 9.054 55 HB3 ARG 11 2HB ARG 11 0.622 -4.815 10.046 56 HG2 ARG 11 1HG ARG 11 3.003 -5.156 10.346 57 HG3 ARG 11 2HG ARG 11 3.398 -3.995 9.094 58 HD2 ARG 11 1HD ARG 11 3.736 -2.974 11.313 59 HD3 ARG 11 2HD ARG 11 2.430 -2.154 10.480 60 HE ARG 11 HE ARG 11 0.964 -2.891 12.140 61 HH11 ARG 11 2HH2 ARG 11 3.809 -4.963 12.146 62 HH12 ARG 11 1HH2 ARG 11 3.316 -5.850 13.550 63 HH21 ARG 11 2HH1 ARG 11 0.314 -4.061 13.992 64 HH22 ARG 11 1HH1 ARG 11 1.315 -5.334 14.607 65 H TRP 12 H TRP 12 -0.401 -7.150 8.487 66 HA TRP 12 HA TRP 12 -2.659 -5.742 7.422 67 HB2 TRP 12 1HB TRP 12 -3.153 -7.116 5.580 68 HB3 TRP 12 2HB TRP 12 -1.499 -6.575 5.373 69 HD1 TRP 12 HD TRP 12 0.456 -8.497 5.727 70 HE1 TRP 12 1HE TRP 12 0.476 -11.127 5.509 71 HE3 TRP 12 3HE TRP 12 -4.590 -9.079 5.964 72 HZ2 TRP 12 2HZ TRP 12 -1.576 -13.111 5.460 73 HZ3 TRP 12 3HZ TRP 12 -5.500 -11.395 5.823 74 HH2 TRP 12 HH TRP 12 -4.081 -13.371 5.580 75 H THR 13 H THR 13 -4.665 -7.156 7.713 76 HA THR 13 HA THR 13 -4.389 -9.549 9.248 77 HB THR 13 HB THR 13 -3.851 -7.792 10.968 78 HG1 THR 13 1HG THR 13 -4.999 -9.634 11.716 79 HG21 THR 13 1HG2 THR 13 -6.731 -6.892 10.432 80 HG22 THR 13 2HG2 THR 13 -5.663 -6.286 11.721 81 HG23 THR 13 3HG2 THR 13 -5.287 -5.937 10.017 82 H GLN 14 H GLN 14 -7.066 -8.944 10.563 83 HA GLN 14 HA GLN 14 -8.923 -8.263 8.686 84 HB2 GLN 14 1HB GLN 14 -9.782 -10.520 7.968 85 HB3 GLN 14 2HB GLN 14 -8.221 -10.109 7.284 86 HG2 GLN 14 1HG GLN 14 -8.030 -11.509 9.894 87 HG3 GLN 14 2HG GLN 14 -8.813 -12.463 8.651 88 HE21 GLN 14 1HE2 GLN 14 -7.662 -13.366 7.071 89 HE22 GLN 14 2HE2 GLN 14 -5.957 -13.187 6.827 90 H THR 15 H THR 15 -11.100 -9.911 9.261 91 HA THR 15 HA THR 15 -11.158 -10.619 12.026 92 HB THR 15 HB THR 15 -11.212 -8.088 12.118 93 HG1 THR 15 1HG THR 15 -13.708 -9.548 12.636 94 HG21 THR 15 1HG2 THR 15 -12.926 -8.296 9.903 95 HG22 THR 15 2HG2 THR 15 -14.041 -8.000 11.258 96 HG23 THR 15 3HG2 THR 15 -12.727 -6.848 10.919 97 H LEU 16 H LEU 16 -11.575 -12.353 10.114 98 HA LEU 16 HA LEU 16 -13.058 -13.558 8.940 99 HB2 LEU 16 1HB LEU 16 -14.890 -13.359 11.288 100 HB3 LEU 16 2HB LEU 16 -14.431 -14.758 10.336 101 HG LEU 16 HG LEU 16 -13.309 -15.222 12.261 102 HD11 LEU 16 1HD1 LEU 16 -11.698 -14.402 10.184 103 HD12 LEU 16 2HD1 LEU 16 -11.018 -13.529 11.578 104 HD13 LEU 16 3HD1 LEU 16 -11.170 -15.302 11.625 105 HD21 LEU 16 1HD2 LEU 16 -13.830 -12.511 12.869 106 HD22 LEU 16 2HD2 LEU 16 -13.280 -13.802 13.963 107 HD23 LEU 16 3HD2 LEU 16 -12.089 -12.773 13.132 108 H ALA 17 H ALA 17 -13.277 -10.655 8.469 109 HA ALA 17 HA ALA 17 -15.830 -10.719 7.184 110 HB1 ALA 17 1HB ALA 17 -15.366 -9.103 9.678 111 HB2 ALA 17 2HB ALA 17 -16.351 -8.401 8.372 112 HB3 ALA 17 3HB ALA 17 -16.835 -9.941 9.123 113 H GLU 18 H GLU 18 -14.049 -7.832 8.375 114 HA GLU 18 HA GLU 18 -13.445 -7.257 5.602 115 HB2 GLU 18 1HB GLU 18 -13.114 -4.948 6.338 116 HB3 GLU 18 2HB GLU 18 -14.644 -5.540 6.954 117 HG2 GLU 18 1HG GLU 18 -13.868 -4.724 8.954 118 HG3 GLU 18 2HG GLU 18 -13.026 -6.259 9.034 119 H LEU 19 H LEU 19 -11.266 -6.391 5.025 120 HA LEU 19 HA LEU 19 -9.224 -7.671 6.697 121 HB2 LEU 19 1HB LEU 19 -9.671 -7.439 3.795 122 HB3 LEU 19 2HB LEU 19 -8.019 -7.159 4.307 123 HG LEU 19 HG LEU 19 -9.270 -9.553 5.498 124 HD11 LEU 19 1HD1 LEU 19 -8.493 -9.819 2.612 125 HD12 LEU 19 2HD1 LEU 19 -9.504 -10.877 3.626 126 HD13 LEU 19 3HD1 LEU 19 -10.146 -9.321 3.046 127 HD21 LEU 19 1HD2 LEU 19 -7.150 -10.282 5.604 128 HD22 LEU 19 2HD2 LEU 19 -6.772 -9.759 3.945 129 HD23 LEU 19 3HD2 LEU 19 -6.737 -8.581 5.279 130 H ASP 20 H ASP 20 -7.020 -6.519 6.602 131 HA ASP 20 HA ASP 20 -7.350 -3.664 6.310 132 HB2 ASP 20 1HB ASP 20 -6.928 -5.143 8.864 133 HB3 ASP 20 2HB ASP 20 -5.825 -3.804 8.618 134 H LEU 21 H LEU 21 -5.462 -2.804 5.375 135 HA LEU 21 HA LEU 21 -3.023 -4.416 5.613 136 HB2 LEU 21 1HB LEU 21 -3.761 -4.998 3.490 137 HB3 LEU 21 2HB LEU 21 -4.378 -3.395 3.144 138 HG LEU 21 HG LEU 21 -2.318 -4.066 1.874 139 HD11 LEU 21 1HD1 LEU 21 -1.254 -1.726 3.170 140 HD12 LEU 21 2HD1 LEU 21 -2.029 -1.888 1.576 141 HD13 LEU 21 3HD1 LEU 21 -3.022 -1.591 3.023 142 HD21 LEU 21 1HD2 LEU 21 -0.507 -4.843 2.890 143 HD22 LEU 21 2HD2 LEU 21 -0.392 -3.379 3.896 144 HD23 LEU 21 3HD2 LEU 21 -1.374 -4.759 4.442 145 H ALA 22 H ALA 22 -1.070 -3.227 5.716 146 HA ALA 22 HA ALA 22 -1.309 -0.329 5.622 147 HB1 ALA 22 1HB ALA 22 -0.090 -1.707 8.033 148 HB2 ALA 22 2HB ALA 22 -0.517 0.009 7.836 149 HB3 ALA 22 3HB ALA 22 -1.800 -1.215 7.989 150 H VAL 23 H VAL 23 0.489 0.578 4.699 151 HA VAL 23 HA VAL 23 2.912 -1.067 4.642 152 HB VAL 23 HB VAL 23 1.662 0.361 2.287 153 HG11 VAL 23 1HG1 VAL 23 4.017 -1.489 2.077 154 HG12 VAL 23 2HG1 VAL 23 3.520 -0.151 1.014 155 HG13 VAL 23 3HG1 VAL 23 4.275 0.196 2.589 156 HG21 VAL 23 1HG2 VAL 23 0.545 -1.523 1.877 157 HG22 VAL 23 2HG2 VAL 23 2.085 -2.410 1.788 158 HG23 VAL 23 3HG2 VAL 23 1.228 -2.269 3.342 159 HA PRO 24 HA PRO 24 4.181 2.906 6.061 160 HB2 PRO 24 1HB PRO 24 6.490 2.081 7.267 161 HB3 PRO 24 2HB PRO 24 4.939 2.105 8.082 162 HG2 PRO 24 1HG PRO 24 6.442 -0.212 7.029 163 HG3 PRO 24 2HG PRO 24 5.135 -0.190 8.196 164 HD2 PRO 24 1HD PRO 24 4.958 -0.943 5.434 165 HD3 PRO 24 2HD PRO 24 3.631 -0.809 6.571 166 H PHE 25 H PHE 25 5.659 4.528 5.461 167 HA PHE 25 HA PHE 25 7.556 3.592 3.441 168 HB2 PHE 25 1HB PHE 25 5.474 5.850 3.334 169 HB3 PHE 25 2HB PHE 25 6.815 5.782 2.208 170 HD1 PHE 25 1HD PHE 25 6.886 2.805 1.749 171 HD2 PHE 25 2HD PHE 25 3.646 5.542 1.896 172 HE1 PHE 25 1HE PHE 25 5.549 1.304 0.245 173 HE2 PHE 25 2HE PHE 25 2.309 4.041 0.393 174 HZ PHE 25 HZ PHE 25 3.277 1.940 -0.415 175 H ARG 26 H ARG 26 9.468 4.863 3.249 176 HA ARG 26 HA ARG 26 9.933 6.438 5.601 177 HB2 ARG 26 1HB ARG 26 11.574 4.951 3.623 178 HB3 ARG 26 2HB ARG 26 12.293 6.478 4.096 179 HG2 ARG 26 1HG ARG 26 11.188 4.938 6.381 180 HG3 ARG 26 2HG ARG 26 12.473 4.100 5.533 181 HD2 ARG 26 1HD ARG 26 13.552 5.423 7.234 182 HD3 ARG 26 2HD ARG 26 13.872 6.238 5.716 183 HE ARG 26 HE ARG 26 11.435 7.244 6.913 184 HH11 ARG 26 2HH2 ARG 26 14.941 7.424 7.158 185 HH12 ARG 26 1HH2 ARG 26 14.938 9.004 7.868 186 HH21 ARG 26 2HH1 ARG 26 11.430 9.328 7.850 187 HH22 ARG 26 1HH1 ARG 26 12.927 10.094 8.264 188 H VAL 27 H VAL 27 8.663 8.352 5.065 189 HA VAL 27 HA VAL 27 9.896 9.956 2.933 190 HB VAL 27 HB VAL 27 7.558 11.038 2.869 191 HG11 VAL 27 1HG1 VAL 27 6.807 8.812 1.483 192 HG12 VAL 27 2HG1 VAL 27 7.937 10.045 0.875 193 HG13 VAL 27 3HG1 VAL 27 8.563 8.553 1.618 194 HG21 VAL 27 1HG2 VAL 27 6.390 8.409 3.567 195 HG22 VAL 27 2HG2 VAL 27 7.008 9.357 4.942 196 HG23 VAL 27 3HG2 VAL 27 5.779 10.055 3.859 197 H SER 28 H SER 28 9.473 12.398 3.345 198 HA SER 28 HA SER 28 9.776 12.826 6.215 199 HB2 SER 28 1HB SER 28 11.484 13.556 3.996 200 HB3 SER 28 2HB SER 28 10.888 15.024 4.745 201 HG SER 28 HG SER 28 11.996 14.610 6.565 202 H PHE 29 H PHE 29 7.470 12.942 4.004 203 HA PHE 29 HA PHE 29 6.411 15.471 5.015 204 HB2 PHE 29 1HB PHE 29 5.420 15.608 2.565 205 HB3 PHE 29 2HB PHE 29 7.098 16.062 2.787 206 HD1 PHE 29 2HD PHE 29 4.892 13.298 1.694 207 HD2 PHE 29 1HD PHE 29 8.829 14.882 1.698 208 HE1 PHE 29 2HE PHE 29 5.580 11.592 -0.014 209 HE2 PHE 29 1HE PHE 29 9.517 13.176 -0.010 210 HZ PHE 29 HZ PHE 29 7.885 11.551 -0.845 211 H ARG 30 H ARG 30 3.926 15.576 4.208 212 HA ARG 30 HA ARG 30 2.850 13.075 5.146 213 HB2 ARG 30 1HB ARG 30 1.990 15.027 6.291 214 HB3 ARG 30 2HB ARG 30 1.692 15.873 4.786 215 HG2 ARG 30 1HG ARG 30 -0.244 14.644 4.305 216 HG3 ARG 30 2HG ARG 30 0.294 13.235 5.198 217 HD2 ARG 30 1HD ARG 30 -0.052 14.474 7.353 218 HD3 ARG 30 2HD ARG 30 -0.603 15.875 6.455 219 HE ARG 30 HE ARG 30 -2.210 13.780 5.534 220 HH11 ARG 30 2HH2 ARG 30 -1.523 15.230 8.666 221 HH12 ARG 30 1HH2 ARG 30 -3.078 14.850 9.326 222 HH21 ARG 30 2HH1 ARG 30 -4.262 13.278 6.405 223 HH22 ARG 30 1HH1 ARG 30 -4.647 13.733 8.031 224 H LEU 31 H LEU 31 2.863 11.678 3.326 225 HA LEU 31 HA LEU 31 2.363 12.384 0.727 226 HB2 LEU 31 1HB LEU 31 2.031 9.846 2.291 227 HB3 LEU 31 2HB LEU 31 1.538 9.917 0.610 228 HG LEU 31 HG LEU 31 4.295 10.846 1.320 229 HD11 LEU 31 1HD1 LEU 31 4.538 8.118 0.674 230 HD12 LEU 31 2HD1 LEU 31 4.919 8.917 2.218 231 HD13 LEU 31 3HD1 LEU 31 3.305 8.215 1.954 232 HD21 LEU 31 1HD2 LEU 31 3.469 11.103 -0.969 233 HD22 LEU 31 2HD2 LEU 31 4.827 9.954 -0.892 234 HD23 LEU 31 3HD2 LEU 31 3.160 9.352 -1.061 235 H LYS 32 H LYS 32 0.553 12.653 -0.575 236 HA LYS 32 HA LYS 32 -1.975 12.790 0.911 237 HB2 LYS 32 1HB LYS 32 -0.861 14.430 -1.363 238 HB3 LYS 32 2HB LYS 32 -2.584 14.365 -1.052 239 HG2 LYS 32 1HG LYS 32 -2.196 15.114 1.300 240 HG3 LYS 32 2HG LYS 32 -0.469 15.157 1.008 241 HD2 LYS 32 1HD LYS 32 -0.596 17.197 0.010 242 HD3 LYS 32 2HD LYS 32 -1.884 16.674 -1.056 243 HE2 LYS 32 1HE LYS 32 -2.509 17.238 1.856 244 HE3 LYS 32 2HE LYS 32 -2.333 18.579 0.742 245 HZ1 LYS 32 1HZ LYS 32 -4.374 16.548 0.833 246 HZ2 LYS 32 2HZ LYS 32 -4.489 18.123 0.419 247 HZ3 LYS 32 3HZ LYS 32 -3.920 17.036 -0.658 248 H GLY 33 H GLY 33 -3.952 12.453 -0.623 249 HA2 GLY 33 1HA GLY 33 -3.679 9.827 -1.734 250 HA3 GLY 33 2HA GLY 33 -5.122 10.819 -1.666 251 H LYS 34 H LYS 34 -1.850 11.269 -3.199 252 HA LYS 34 HA LYS 34 -3.151 11.301 -5.799 253 HB2 LYS 34 1HB LYS 34 -2.123 13.433 -6.423 254 HB3 LYS 34 2HB LYS 34 -3.260 13.629 -5.105 255 HG2 LYS 34 1HG LYS 34 -1.038 13.229 -3.620 256 HG3 LYS 34 2HG LYS 34 -0.255 13.829 -5.069 257 HD2 LYS 34 1HD LYS 34 -2.642 15.347 -4.013 258 HD3 LYS 34 2HD LYS 34 -1.124 15.496 -3.150 259 HE2 LYS 34 1HE LYS 34 -0.519 15.738 -5.950 260 HE3 LYS 34 2HE LYS 34 -1.914 16.752 -5.641 261 HZ1 LYS 34 1HZ LYS 34 -0.734 17.860 -3.933 262 HZ2 LYS 34 2HZ LYS 34 0.523 16.819 -4.004 263 HZ3 LYS 34 3HZ LYS 34 0.236 17.838 -5.248 264 H ASP 35 H ASP 35 -0.121 11.539 -3.845 265 HA ASP 35 HA ASP 35 1.341 10.446 -6.063 266 HB2 ASP 35 1HB ASP 35 2.120 12.271 -4.327 267 HB3 ASP 35 2HB ASP 35 2.421 10.912 -3.262 268 H VAL 36 H VAL 36 -0.827 8.938 -4.484 269 HA VAL 36 HA VAL 36 0.860 6.786 -3.409 270 HB VAL 36 HB VAL 36 -2.040 7.409 -2.819 271 HG11 VAL 36 1HG1 VAL 36 -1.456 5.889 -0.800 272 HG12 VAL 36 2HG1 VAL 36 -1.757 5.131 -2.382 273 HG13 VAL 36 3HG1 VAL 36 -0.088 5.347 -1.801 274 HG21 VAL 36 1HG2 VAL 36 -0.087 7.757 -0.648 275 HG22 VAL 36 2HG2 VAL 36 0.119 8.908 -1.990 276 HG23 VAL 36 3HG2 VAL 36 -1.445 8.793 -1.149 277 H VAL 37 H VAL 37 -0.348 4.550 -3.638 278 HA VAL 37 HA VAL 37 -1.828 4.415 -6.136 279 HB VAL 37 HB VAL 37 0.824 3.056 -5.633 280 HG11 VAL 37 1HG1 VAL 37 -1.090 1.624 -6.660 281 HG12 VAL 37 2HG1 VAL 37 -0.844 2.631 -8.107 282 HG13 VAL 37 3HG1 VAL 37 0.497 1.652 -7.466 283 HG21 VAL 37 1HG2 VAL 37 1.352 4.129 -7.877 284 HG22 VAL 37 2HG2 VAL 37 -0.141 5.077 -7.672 285 HG23 VAL 37 3HG2 VAL 37 1.185 5.240 -6.496 286 H VAL 38 H VAL 38 -3.616 3.258 -5.661 287 HA VAL 38 HA VAL 38 -3.275 0.861 -4.042 288 HB VAL 38 HB VAL 38 -5.042 3.210 -3.399 289 HG11 VAL 38 1HG1 VAL 38 -6.508 1.242 -3.502 290 HG12 VAL 38 2HG1 VAL 38 -5.413 0.362 -2.408 291 HG13 VAL 38 3HG1 VAL 38 -6.289 1.797 -1.825 292 HG21 VAL 38 1HG2 VAL 38 -3.177 3.429 -2.085 293 HG22 VAL 38 2HG2 VAL 38 -4.149 2.369 -1.036 294 HG23 VAL 38 3HG2 VAL 38 -2.856 1.679 -2.047 295 H ASP 39 H ASP 39 -3.847 -0.660 -5.524 296 HA ASP 39 HA ASP 39 -6.144 -0.022 -7.188 297 HB2 ASP 39 1HB ASP 39 -3.743 -0.845 -8.037 298 HB3 ASP 39 2HB ASP 39 -4.360 -2.429 -7.612 299 H ILE 40 H ILE 40 -7.637 -0.576 -5.362 300 HA ILE 40 HA ILE 40 -7.507 -3.216 -4.258 301 HB ILE 40 HB ILE 40 -9.443 -0.921 -4.007 302 HG12 ILE 40 1HG1 ILE 40 -7.724 -2.117 -1.840 303 HG13 ILE 40 2HG1 ILE 40 -7.061 -0.945 -2.961 304 HG21 ILE 40 1HG2 ILE 40 -11.006 -2.334 -3.309 305 HG22 ILE 40 2HG2 ILE 40 -9.894 -3.719 -3.427 306 HG23 ILE 40 3HG2 ILE 40 -9.945 -2.742 -1.940 307 HD11 ILE 40 1HD1 ILE 40 -8.139 -0.094 -0.723 308 HD12 ILE 40 2HD1 ILE 40 -8.500 0.780 -2.231 309 HD13 ILE 40 3HD1 ILE 40 -9.686 -0.365 -1.561 310 H GLN 41 H GLN 41 -7.734 -4.773 -5.857 311 HA GLN 41 HA GLN 41 -10.028 -4.479 -7.601 312 HB2 GLN 41 1HB GLN 41 -7.430 -5.941 -7.717 313 HB3 GLN 41 2HB GLN 41 -8.791 -6.785 -8.428 314 HG2 GLN 41 1HG GLN 41 -8.058 -3.897 -9.098 315 HG3 GLN 41 2HG GLN 41 -7.520 -5.276 -10.036 316 HE21 GLN 41 1HE2 GLN 41 -9.637 -2.882 -10.049 317 HE22 GLN 41 2HE2 GLN 41 -10.989 -3.574 -10.882 318 H ARG 42 H ARG 42 -11.109 -6.786 -8.124 319 HA ARG 42 HA ARG 42 -12.420 -7.503 -5.816 320 HB2 ARG 42 1HB ARG 42 -13.267 -7.804 -8.179 321 HB3 ARG 42 2HB ARG 42 -12.135 -9.124 -8.398 322 HG2 ARG 42 1HG ARG 42 -14.235 -10.143 -7.818 323 HG3 ARG 42 2HG ARG 42 -13.224 -10.279 -6.393 324 HD2 ARG 42 1HD ARG 42 -14.727 -9.101 -5.165 325 HD3 ARG 42 2HD ARG 42 -14.606 -7.741 -6.264 326 HE ARG 42 HE ARG 42 -16.673 -9.836 -6.284 327 HH11 ARG 42 2HH2 ARG 42 -15.134 -7.239 -8.091 328 HH12 ARG 42 1HH2 ARG 42 -16.479 -7.012 -9.159 329 HH21 ARG 42 2HH1 ARG 42 -18.448 -9.538 -7.693 330 HH22 ARG 42 1HH1 ARG 42 -18.376 -8.329 -8.931 331 H ARG 43 H ARG 43 -9.810 -9.185 -7.697 332 HA ARG 43 HA ARG 43 -9.269 -10.690 -5.271 333 HB2 ARG 43 1HB ARG 43 -10.332 -11.848 -7.545 334 HB3 ARG 43 2HB ARG 43 -8.619 -12.038 -7.860 335 HG2 ARG 43 1HG ARG 43 -8.271 -13.311 -5.853 336 HG3 ARG 43 2HG ARG 43 -9.806 -12.813 -5.169 337 HD2 ARG 43 1HD ARG 43 -10.980 -14.431 -6.301 338 HD3 ARG 43 2HD ARG 43 -10.088 -14.180 -7.788 339 HE ARG 43 HE ARG 43 -8.318 -15.405 -5.920 340 HH11 ARG 43 2HH2 ARG 43 -11.234 -16.183 -7.728 341 HH12 ARG 43 1HH2 ARG 43 -10.894 -17.880 -7.794 342 HH21 ARG 43 2HH1 ARG 43 -7.869 -17.644 -6.006 343 HH22 ARG 43 1HH1 ARG 43 -8.967 -18.717 -6.808 344 H HIS 44 H HIS 44 -7.921 -8.370 -5.625 345 HA HIS 44 HA HIS 44 -5.268 -9.181 -5.844 346 HB2 HIS 44 1HB HIS 44 -5.986 -9.179 -8.299 347 HB3 HIS 44 2HB HIS 44 -6.097 -7.435 -8.168 348 HD1 HIS 44 1HD HIS 44 -4.024 -8.982 -10.015 349 HD2 HIS 44 2HD HIS 44 -3.200 -7.335 -6.246 350 HE1 HIS 44 1HE HIS 44 -1.507 -8.573 -9.948 351 H LEU 45 H LEU 45 -4.112 -7.800 -4.568 352 HA LEU 45 HA LEU 45 -5.278 -5.130 -4.178 353 HB2 LEU 45 1HB LEU 45 -5.616 -6.723 -2.281 354 HB3 LEU 45 2HB LEU 45 -3.875 -6.816 -2.102 355 HG LEU 45 HG LEU 45 -3.756 -4.444 -1.555 356 HD11 LEU 45 1HD1 LEU 45 -6.353 -3.607 -1.068 357 HD12 LEU 45 2HD1 LEU 45 -5.303 -3.089 -2.409 358 HD13 LEU 45 3HD1 LEU 45 -6.458 -4.421 -2.648 359 HD21 LEU 45 1HD2 LEU 45 -5.718 -4.795 0.414 360 HD22 LEU 45 2HD2 LEU 45 -5.157 -6.435 0.007 361 HD23 LEU 45 3HD2 LEU 45 -3.987 -5.196 0.521 362 H ARG 46 H ARG 46 -4.007 -3.731 -5.283 363 HA ARG 46 HA ARG 46 -1.145 -4.226 -5.101 364 HB2 ARG 46 1HB ARG 46 -2.456 -4.137 -7.410 365 HB3 ARG 46 2HB ARG 46 -2.412 -2.401 -7.172 366 HG2 ARG 46 1HG ARG 46 0.171 -2.788 -6.719 367 HG3 ARG 46 2HG ARG 46 -0.089 -4.314 -7.541 368 HD2 ARG 46 1HD ARG 46 -1.391 -2.280 -9.108 369 HD3 ARG 46 2HD ARG 46 0.202 -1.675 -8.699 370 HE ARG 46 HE ARG 46 0.483 -4.396 -9.515 371 HH11 ARG 46 2HH2 ARG 46 -0.359 -1.266 -10.884 372 HH12 ARG 46 1HH2 ARG 46 0.201 -1.667 -12.473 373 HH21 ARG 46 2HH1 ARG 46 1.222 -4.926 -11.611 374 HH22 ARG 46 1HH1 ARG 46 1.106 -3.763 -12.890 375 H VAL 47 H VAL 47 -0.036 -2.790 -3.809 376 HA VAL 47 HA VAL 47 -1.134 -0.077 -3.590 377 HB VAL 47 HB VAL 47 -0.121 -1.879 -1.385 378 HG11 VAL 47 1HG1 VAL 47 0.791 0.324 -0.999 379 HG12 VAL 47 2HG1 VAL 47 -0.788 1.082 -1.319 380 HG13 VAL 47 3HG1 VAL 47 -0.565 0.062 0.123 381 HG21 VAL 47 1HG2 VAL 47 -2.342 -2.438 -1.579 382 HG22 VAL 47 2HG2 VAL 47 -2.468 -1.051 -0.471 383 HG23 VAL 47 3HG2 VAL 47 -2.808 -0.839 -2.206 384 H GLY 48 H GLY 48 0.533 1.553 -2.971 385 HA2 GLY 48 1HA GLY 48 3.204 1.213 -2.708 386 HA3 GLY 48 2HA GLY 48 2.968 1.049 -4.436 387 H LEU 49 H LEU 49 4.495 3.121 -3.956 388 HA LEU 49 HA LEU 49 2.740 5.457 -3.711 389 HB2 LEU 49 1HB LEU 49 5.702 5.086 -3.278 390 HB3 LEU 49 2HB LEU 49 4.940 6.661 -3.380 391 HG LEU 49 HG LEU 49 4.237 4.535 -1.337 392 HD11 LEU 49 1HD1 LEU 49 5.340 6.359 0.195 393 HD12 LEU 49 2HD1 LEU 49 6.338 5.144 -0.639 394 HD13 LEU 49 3HD1 LEU 49 6.205 6.792 -1.299 395 HD21 LEU 49 1HD2 LEU 49 3.243 7.332 -1.831 396 HD22 LEU 49 2HD2 LEU 49 2.322 5.836 -1.541 397 HD23 LEU 49 3HD2 LEU 49 3.201 6.614 -0.203 398 H LYS 50 H LYS 50 2.449 6.839 -5.420 399 HA LYS 50 HA LYS 50 2.782 6.008 -7.971 400 HB2 LYS 50 1HB LYS 50 1.890 8.333 -6.648 401 HB3 LYS 50 2HB LYS 50 3.060 8.888 -7.828 402 HG2 LYS 50 1HG LYS 50 1.820 8.100 -9.650 403 HG3 LYS 50 2HG LYS 50 1.071 6.812 -8.727 404 HD2 LYS 50 1HD LYS 50 -0.421 8.372 -7.599 405 HD3 LYS 50 2HD LYS 50 0.450 9.756 -8.228 406 HE2 LYS 50 1HE LYS 50 -0.300 8.172 -10.497 407 HE3 LYS 50 2HE LYS 50 -1.713 8.258 -9.464 408 HZ1 LYS 50 1HZ LYS 50 -0.149 10.550 -10.431 409 HZ2 LYS 50 2HZ LYS 50 -1.647 10.123 -10.922 410 HZ3 LYS 50 3HZ LYS 50 -1.409 10.663 -9.399 411 H GLY 51 H GLY 51 4.445 5.691 -9.357 412 HA2 GLY 51 1HA GLY 51 6.446 6.172 -10.382 413 HA3 GLY 51 2HA GLY 51 6.858 7.295 -9.102 414 H GLN 52 H GLN 52 6.111 5.282 -6.945 415 HA GLN 52 HA GLN 52 8.647 3.919 -7.021 416 HB2 GLN 52 1HB GLN 52 6.785 4.880 -4.944 417 HB3 GLN 52 2HB GLN 52 7.406 3.278 -4.598 418 HG2 GLN 52 1HG GLN 52 9.611 4.860 -5.562 419 HG3 GLN 52 2HG GLN 52 8.765 5.821 -4.367 420 HE21 GLN 52 1HE2 GLN 52 8.061 4.555 -2.373 421 HE22 GLN 52 2HE2 GLN 52 9.235 3.503 -1.655 422 HA PRO 53 HA PRO 53 6.976 -0.053 -7.573 423 HB2 PRO 53 1HB PRO 53 8.316 -1.665 -5.819 424 HB3 PRO 53 2HB PRO 53 9.010 -1.105 -7.328 425 HG2 PRO 53 1HG PRO 53 9.578 -0.190 -4.575 426 HG3 PRO 53 2HG PRO 53 10.534 0.037 -6.026 427 HD2 PRO 53 1HD PRO 53 8.875 1.992 -4.740 428 HD3 PRO 53 2HD PRO 53 9.739 2.182 -6.253 429 HA PRO 54 HA PRO 54 3.701 -0.703 -4.941 430 HB2 PRO 54 1HB PRO 54 2.535 -2.864 -6.140 431 HB3 PRO 54 2HB PRO 54 2.279 -1.216 -6.677 432 HG2 PRO 54 1HG PRO 54 3.936 -3.331 -7.910 433 HG3 PRO 54 2HG PRO 54 3.331 -1.852 -8.629 434 HD2 PRO 54 1HD PRO 54 6.008 -2.352 -7.728 435 HD3 PRO 54 2HD PRO 54 5.374 -0.837 -8.339 436 H VAL 55 H VAL 55 4.197 -1.204 -2.893 437 HA VAL 55 HA VAL 55 5.789 -3.370 -2.246 438 HB VAL 55 HB VAL 55 3.640 -2.151 -0.511 439 HG11 VAL 55 1HG1 VAL 55 5.497 -4.156 0.002 440 HG12 VAL 55 2HG1 VAL 55 6.255 -2.694 0.676 441 HG13 VAL 55 3HG1 VAL 55 4.630 -3.182 1.213 442 HG21 VAL 55 1HG2 VAL 55 6.105 -0.946 -1.644 443 HG22 VAL 55 2HG2 VAL 55 4.608 -0.177 -1.067 444 HG23 VAL 55 3HG2 VAL 55 5.846 -0.701 0.100 445 H VAL 56 H VAL 56 2.294 -3.120 -2.886 446 HA VAL 56 HA VAL 56 2.106 -6.005 -2.356 447 HB VAL 56 HB VAL 56 -0.074 -3.915 -2.209 448 HG11 VAL 56 1HG1 VAL 56 -1.573 -5.567 -1.801 449 HG12 VAL 56 2HG1 VAL 56 -0.406 -6.557 -2.711 450 HG13 VAL 56 3HG1 VAL 56 -0.392 -6.575 -0.931 451 HG21 VAL 56 1HG2 VAL 56 0.105 -3.903 0.125 452 HG22 VAL 56 2HG2 VAL 56 1.089 -5.386 0.156 453 HG23 VAL 56 3HG2 VAL 56 1.798 -3.859 -0.423 454 H ASP 57 H ASP 57 1.363 -7.318 -4.004 455 HA ASP 57 HA ASP 57 -0.117 -6.330 -6.142 456 HB2 ASP 57 1HB ASP 57 1.812 -5.295 -7.056 457 HB3 ASP 57 2HB ASP 57 2.880 -6.566 -6.496 458 H GLY 58 H GLY 58 -1.349 -8.258 -5.857 459 HA2 GLY 58 1HA GLY 58 -0.450 -10.622 -7.086 460 HA3 GLY 58 2HA GLY 58 -0.287 -10.798 -5.350 461 H GLU 59 H GLU 59 -2.071 -12.431 -6.776 462 HA GLU 59 HA GLU 59 -4.657 -11.281 -6.732 463 HB2 GLU 59 1HB GLU 59 -4.168 -13.046 -8.327 464 HB3 GLU 59 2HB GLU 59 -3.658 -14.139 -7.056 465 HG2 GLU 59 1HG GLU 59 -6.003 -14.046 -6.099 466 HG3 GLU 59 2HG GLU 59 -6.486 -13.058 -7.464 467 H LEU 60 H LEU 60 -5.923 -10.972 -4.955 468 HA LEU 60 HA LEU 60 -5.154 -11.633 -2.408 469 HB2 LEU 60 1HB LEU 60 -7.779 -10.924 -3.671 470 HB3 LEU 60 2HB LEU 60 -7.708 -11.354 -1.974 471 HG LEU 60 HG LEU 60 -5.927 -9.199 -3.106 472 HD11 LEU 60 1HD1 LEU 60 -7.578 -7.522 -2.553 473 HD12 LEU 60 2HD1 LEU 60 -8.260 -8.669 -3.730 474 HD13 LEU 60 3HD1 LEU 60 -8.722 -8.775 -2.015 475 HD21 LEU 60 1HD2 LEU 60 -7.051 -9.153 -0.347 476 HD22 LEU 60 2HD2 LEU 60 -5.801 -10.366 -0.714 477 HD23 LEU 60 3HD2 LEU 60 -5.459 -8.636 -0.953 478 H TYR 61 H TYR 61 -6.511 -13.086 -0.852 479 HA TYR 61 HA TYR 61 -6.178 -15.749 -1.773 480 HB2 TYR 61 1HB TYR 61 -5.821 -14.990 0.579 481 HB3 TYR 61 2HB TYR 61 -7.453 -14.356 0.659 482 HD1 TYR 61 1HD TYR 61 -9.408 -16.002 0.580 483 HD2 TYR 61 2HD TYR 61 -5.354 -17.237 1.172 484 HE1 TYR 61 1HE TYR 61 -10.214 -18.217 1.534 485 HE2 TYR 61 2HE TYR 61 -6.174 -19.447 2.125 486 HH TYR 61 HH TYR 61 -8.298 -20.222 3.298 487 H ASN 62 H ASN 62 -8.740 -13.448 -2.058 488 HA ASN 62 HA ASN 62 -10.335 -15.234 -3.432 489 HB2 ASN 62 1HB ASN 62 -10.729 -16.003 -0.975 490 HB3 ASN 62 2HB ASN 62 -11.545 -14.472 -0.730 491 HD21 ASN 62 1HD2 ASN 62 -11.962 -17.635 -1.472 492 HD22 ASN 62 2HD2 ASN 62 -13.481 -17.596 -2.302 493 H GLU 63 H GLU 63 -12.485 -14.103 -4.048 494 HA GLU 63 HA GLU 63 -12.053 -11.526 -4.765 495 HB2 GLU 63 1HB GLU 63 -14.619 -13.099 -4.353 496 HB3 GLU 63 2HB GLU 63 -14.648 -11.459 -4.970 497 HG2 GLU 63 1HG GLU 63 -12.866 -12.310 -6.707 498 HG3 GLU 63 2HG GLU 63 -13.383 -13.916 -6.232 499 H VAL 64 H VAL 64 -12.947 -9.455 -4.034 500 HA VAL 64 HA VAL 64 -14.040 -9.404 -1.355 501 HB VAL 64 HB VAL 64 -12.305 -7.707 -0.677 502 HG11 VAL 64 1HG1 VAL 64 -11.243 -10.511 -1.151 503 HG12 VAL 64 2HG1 VAL 64 -10.748 -9.369 0.122 504 HG13 VAL 64 3HG1 VAL 64 -12.385 -10.068 0.141 505 HG21 VAL 64 1HG2 VAL 64 -11.477 -7.442 -3.098 506 HG22 VAL 64 2HG2 VAL 64 -10.251 -7.511 -1.809 507 HG23 VAL 64 3HG2 VAL 64 -10.565 -8.945 -2.816 508 H LYS 65 H LYS 65 -15.440 -7.683 -1.084 509 HA LYS 65 HA LYS 65 -16.321 -6.356 -3.366 510 HB2 LYS 65 1HB LYS 65 -17.487 -6.873 -1.094 511 HB3 LYS 65 2HB LYS 65 -16.808 -5.345 -0.571 512 HG2 LYS 65 1HG LYS 65 -18.396 -4.188 -1.702 513 HG3 LYS 65 2HG LYS 65 -17.963 -4.980 -3.204 514 HD2 LYS 65 1HD LYS 65 -19.418 -6.910 -2.644 515 HD3 LYS 65 2HD LYS 65 -19.801 -6.198 -1.089 516 HE2 LYS 65 1HE LYS 65 -20.812 -4.216 -2.262 517 HE3 LYS 65 2HE LYS 65 -20.462 -4.965 -3.807 518 HZ1 LYS 65 1HZ LYS 65 -21.796 -6.888 -2.962 519 HZ2 LYS 65 2HZ LYS 65 -22.296 -5.929 -1.737 520 HZ3 LYS 65 3HZ LYS 65 -22.642 -5.528 -3.282 521 H VAL 66 H VAL 66 -15.047 -5.019 -4.552 522 HA VAL 66 HA VAL 66 -13.080 -3.388 -3.238 523 HB VAL 66 HB VAL 66 -12.319 -2.889 -5.390 524 HG11 VAL 66 1HG1 VAL 66 -11.928 -5.216 -4.799 525 HG12 VAL 66 2HG1 VAL 66 -13.505 -5.683 -5.479 526 HG13 VAL 66 3HG1 VAL 66 -12.219 -5.077 -6.550 527 HG21 VAL 66 1HG2 VAL 66 -15.079 -3.662 -6.375 528 HG22 VAL 66 2HG2 VAL 66 -14.285 -2.071 -6.466 529 HG23 VAL 66 3HG2 VAL 66 -13.684 -3.424 -7.455 530 H GLU 67 H GLU 67 -16.337 -3.051 -4.670 531 HA GLU 67 HA GLU 67 -16.379 -0.319 -4.902 532 HB2 GLU 67 1HB GLU 67 -18.453 -2.465 -4.531 533 HB3 GLU 67 2HB GLU 67 -18.969 -0.802 -4.335 534 HG2 GLU 67 1HG GLU 67 -17.608 -0.458 -6.623 535 HG3 GLU 67 2HG GLU 67 -17.893 -2.178 -6.798 536 H GLU 68 H GLU 68 -16.575 -2.408 -2.049 537 HA GLU 68 HA GLU 68 -17.252 -0.072 -0.452 538 HB2 GLU 68 1HB GLU 68 -17.386 -3.051 0.180 539 HB3 GLU 68 2HB GLU 68 -17.684 -1.799 1.370 540 HG2 GLU 68 1HG GLU 68 -19.266 -1.094 -0.895 541 HG3 GLU 68 2HG GLU 68 -19.469 -2.824 -0.700 542 H SER 69 H SER 69 -14.591 -0.553 -1.682 543 HA SER 69 HA SER 69 -12.992 -1.377 0.566 544 HB2 SER 69 1HB SER 69 -11.205 -1.550 -0.941 545 HB3 SER 69 2HB SER 69 -12.578 -1.938 -1.958 546 HG SER 69 HG SER 69 -12.590 0.312 -2.679 547 H SER 70 H SER 70 -10.830 0.148 0.748 548 HA SER 70 HA SER 70 -11.185 2.864 0.287 549 HB2 SER 70 1HB SER 70 -12.843 2.212 2.294 550 HB3 SER 70 2HB SER 70 -11.379 2.337 3.248 551 HG SER 70 HG SER 70 -12.514 4.392 1.551 552 H TRP 71 H TRP 71 -9.438 4.161 1.649 553 HA TRP 71 HA TRP 71 -7.386 2.664 2.891 554 HB2 TRP 71 1HB TRP 71 -5.635 2.907 1.242 555 HB3 TRP 71 2HB TRP 71 -6.930 1.892 0.640 556 HD1 TRP 71 HD TRP 71 -8.481 2.975 -1.371 557 HE1 TRP 71 1HE TRP 71 -8.059 4.841 -3.189 558 HE3 TRP 71 3HE TRP 71 -4.458 5.055 0.940 559 HZ2 TRP 71 2HZ TRP 71 -6.133 6.931 -3.450 560 HZ3 TRP 71 3HZ TRP 71 -3.365 7.005 -0.163 561 HH2 TRP 71 HH TRP 71 -4.140 7.943 -2.283 562 H LEU 72 H LEU 72 -5.653 4.158 3.635 563 HA LEU 72 HA LEU 72 -6.063 6.960 3.083 564 HB2 LEU 72 1HB LEU 72 -6.822 7.660 5.090 565 HB3 LEU 72 2HB LEU 72 -7.646 6.117 4.986 566 HG LEU 72 HG LEU 72 -5.219 5.521 6.251 567 HD11 LEU 72 1HD1 LEU 72 -6.197 7.593 8.051 568 HD12 LEU 72 2HD1 LEU 72 -4.537 7.200 7.545 569 HD13 LEU 72 3HD1 LEU 72 -5.547 8.261 6.534 570 HD21 LEU 72 1HD2 LEU 72 -6.885 4.308 7.142 571 HD22 LEU 72 2HD2 LEU 72 -6.992 5.647 8.310 572 HD23 LEU 72 3HD2 LEU 72 -8.092 5.596 6.912 573 H ILE 73 H ILE 73 -4.373 8.234 4.578 574 HA ILE 73 HA ILE 73 -1.924 6.611 4.513 575 HB ILE 73 HB ILE 73 -2.388 9.524 3.887 576 HG12 ILE 73 1HG1 ILE 73 -1.030 7.492 2.129 577 HG13 ILE 73 2HG1 ILE 73 -2.780 7.582 2.185 578 HG21 ILE 73 1HG2 ILE 73 0.309 8.172 3.898 579 HG22 ILE 73 2HG2 ILE 73 -0.076 9.906 3.780 580 HG23 ILE 73 3HG2 ILE 73 -0.324 9.042 5.316 581 HD11 ILE 73 1HD1 ILE 73 -1.762 10.275 1.975 582 HD12 ILE 73 2HD1 ILE 73 -0.975 9.270 0.734 583 HD13 ILE 73 3HD1 ILE 73 -2.751 9.371 0.803 584 H GLU 74 H GLU 74 -1.375 6.013 6.540 585 HA GLU 74 HA GLU 74 -2.213 7.670 8.721 586 HB2 GLU 74 1HB GLU 74 -1.158 4.901 8.367 587 HB3 GLU 74 2HB GLU 74 -0.720 5.680 9.875 588 HG2 GLU 74 1HG GLU 74 -3.563 6.091 9.163 589 HG3 GLU 74 2HG GLU 74 -3.149 4.397 9.341 590 H ASP 75 H ASP 75 -0.838 8.812 10.159 591 HA ASP 75 HA ASP 75 0.861 10.050 10.694 592 HB2 ASP 75 1HB ASP 75 1.924 7.378 10.290 593 HB3 ASP 75 2HB ASP 75 3.146 8.542 9.817 594 H GLY 76 H GLY 76 -0.178 10.009 7.801 595 HA2 GLY 76 1HA GLY 76 0.301 10.896 5.789 596 HA3 GLY 76 2HA GLY 76 1.360 11.979 6.669 597 H LYS 77 H LYS 77 1.587 8.389 6.212 598 HA LYS 77 HA LYS 77 3.661 8.611 4.289 599 HB2 LYS 77 1HB LYS 77 5.516 7.793 5.624 600 HB3 LYS 77 2HB LYS 77 4.944 9.326 6.252 601 HG2 LYS 77 1HG LYS 77 3.510 7.981 7.914 602 HG3 LYS 77 2HG LYS 77 4.370 6.550 7.381 603 HD2 LYS 77 1HD LYS 77 6.552 7.874 7.929 604 HD3 LYS 77 2HD LYS 77 5.513 8.999 8.781 605 HE2 LYS 77 1HE LYS 77 4.595 6.599 9.788 606 HE3 LYS 77 2HE LYS 77 6.279 6.207 9.504 607 HZ1 LYS 77 1HZ LYS 77 6.071 7.131 11.649 608 HZ2 LYS 77 2HZ LYS 77 6.830 8.252 10.736 609 HZ3 LYS 77 3HZ LYS 77 5.252 8.437 11.112 610 H VAL 78 H VAL 78 2.395 6.544 6.995 611 HA VAL 78 HA VAL 78 2.742 4.165 5.489 612 HB VAL 78 HB VAL 78 1.045 4.702 7.935 613 HG11 VAL 78 1HG1 VAL 78 1.151 2.358 8.367 614 HG12 VAL 78 2HG1 VAL 78 0.659 2.544 6.667 615 HG13 VAL 78 3HG1 VAL 78 2.337 2.101 7.064 616 HG21 VAL 78 1HG2 VAL 78 3.203 5.422 8.543 617 HG22 VAL 78 2HG2 VAL 78 3.111 3.743 9.125 618 HG23 VAL 78 3HG2 VAL 78 3.996 4.118 7.626 619 H VAL 79 H VAL 79 1.383 3.163 4.063 620 HA VAL 79 HA VAL 79 -1.144 4.547 3.550 621 HB VAL 79 HB VAL 79 0.713 2.845 1.908 622 HG11 VAL 79 1HG1 VAL 79 -1.256 1.855 1.203 623 HG12 VAL 79 2HG1 VAL 79 -2.225 3.319 1.491 624 HG13 VAL 79 3HG1 VAL 79 -1.139 3.234 0.084 625 HG21 VAL 79 1HG2 VAL 79 0.390 4.825 0.329 626 HG22 VAL 79 2HG2 VAL 79 -0.415 5.646 1.687 627 HG23 VAL 79 3HG2 VAL 79 1.286 5.142 1.834 628 H THR 80 H THR 80 -2.945 3.666 4.413 629 HA THR 80 HA THR 80 -2.886 0.775 4.960 630 HB THR 80 HB THR 80 -4.860 1.589 6.531 631 HG1 THR 80 1HG THR 80 -4.327 3.922 7.055 632 HG21 THR 80 1HG2 THR 80 -2.672 0.892 7.486 633 HG22 THR 80 2HG2 THR 80 -1.965 2.462 7.032 634 HG23 THR 80 3HG2 THR 80 -3.234 2.384 8.278 635 H VAL 81 H VAL 81 -4.431 -0.589 4.157 636 HA VAL 81 HA VAL 81 -6.393 0.688 2.380 637 HB VAL 81 HB VAL 81 -4.747 -1.816 2.016 638 HG11 VAL 81 1HG1 VAL 81 -6.630 -2.668 1.085 639 HG12 VAL 81 2HG1 VAL 81 -7.381 -1.068 0.871 640 HG13 VAL 81 3HG1 VAL 81 -6.160 -1.641 -0.291 641 HG21 VAL 81 1HG2 VAL 81 -4.809 0.904 0.784 642 HG22 VAL 81 2HG2 VAL 81 -3.431 -0.163 1.141 643 HG23 VAL 81 3HG2 VAL 81 -4.457 -0.480 -0.279 644 H HIS 82 H HIS 82 -8.511 -0.156 2.404 645 HA HIS 82 HA HIS 82 -8.967 -2.064 4.582 646 HB2 HIS 82 1HB HIS 82 -9.856 -0.001 5.289 647 HB3 HIS 82 2HB HIS 82 -10.511 0.371 3.707 648 HD1 HIS 82 1HD HIS 82 -11.070 -2.192 6.505 649 HD2 HIS 82 2HD HIS 82 -13.165 -0.247 3.434 650 HE1 HIS 82 1HE HIS 82 -13.514 -2.877 6.762 651 H LEU 83 H LEU 83 -9.377 -4.045 3.735 652 HA LEU 83 HA LEU 83 -10.825 -4.128 1.191 653 HB2 LEU 83 1HB LEU 83 -8.948 -6.032 2.571 654 HB3 LEU 83 2HB LEU 83 -10.007 -6.562 1.279 655 HG LEU 83 HG LEU 83 -7.742 -4.571 1.137 656 HD11 LEU 83 1HD1 LEU 83 -6.948 -6.775 0.895 657 HD12 LEU 83 2HD1 LEU 83 -8.314 -7.246 -0.144 658 HD13 LEU 83 3HD1 LEU 83 -7.071 -6.130 -0.760 659 HD21 LEU 83 1HD2 LEU 83 -8.526 -4.579 -1.402 660 HD22 LEU 83 2HD2 LEU 83 -10.118 -4.836 -0.647 661 HD23 LEU 83 3HD2 LEU 83 -9.151 -3.404 -0.220 662 H GLU 84 H GLU 84 -12.655 -5.540 0.944 663 HA GLU 84 HA GLU 84 -13.776 -6.373 3.502 664 HB2 GLU 84 1HB GLU 84 -14.743 -4.259 1.952 665 HB3 GLU 84 2HB GLU 84 -15.777 -5.592 1.476 666 HG2 GLU 84 1HG GLU 84 -16.967 -5.229 3.373 667 HG3 GLU 84 2HG GLU 84 -15.603 -5.867 4.270 668 H LYS 85 H LYS 85 -14.562 -8.465 3.544 669 HA LYS 85 HA LYS 85 -14.074 -10.077 1.247 670 HB2 LYS 85 1HB LYS 85 -15.314 -10.708 3.942 671 HB3 LYS 85 2HB LYS 85 -14.924 -11.902 2.720 672 HG2 LYS 85 1HG LYS 85 -12.535 -11.267 2.804 673 HG3 LYS 85 2HG LYS 85 -12.888 -9.969 3.928 674 HD2 LYS 85 1HD LYS 85 -13.554 -11.535 5.665 675 HD3 LYS 85 2HD LYS 85 -13.549 -12.882 4.544 676 HE2 LYS 85 1HE LYS 85 -11.175 -12.932 4.404 677 HE3 LYS 85 2HE LYS 85 -11.007 -11.284 4.976 678 HZ1 LYS 85 1HZ LYS 85 -12.015 -12.165 7.101 679 HZ2 LYS 85 2HZ LYS 85 -11.697 -13.661 6.530 680 HZ3 LYS 85 3HZ LYS 85 -10.476 -12.605 6.776 681 H ILE 86 H ILE 86 -15.710 -11.473 0.200 682 HA ILE 86 HA ILE 86 -18.053 -9.904 -0.376 683 HB ILE 86 HB ILE 86 -16.958 -12.486 -1.488 684 HG12 ILE 86 1HG1 ILE 86 -15.684 -10.375 -1.937 685 HG13 ILE 86 2HG1 ILE 86 -16.266 -11.205 -3.367 686 HG21 ILE 86 1HG2 ILE 86 -19.099 -12.867 -2.082 687 HG22 ILE 86 2HG2 ILE 86 -19.582 -11.168 -1.865 688 HG23 ILE 86 3HG2 ILE 86 -18.738 -11.670 -3.349 689 HD11 ILE 86 1HD1 ILE 86 -18.375 -9.623 -3.107 690 HD12 ILE 86 2HD1 ILE 86 -17.265 -8.635 -2.128 691 HD13 ILE 86 3HD1 ILE 86 -16.876 -8.989 -3.829 692 H ASN 87 H ASN 87 -17.135 -12.793 1.476 693 HA ASN 87 HA ASN 87 -19.946 -13.325 1.938 694 HB2 ASN 87 1HB ASN 87 -18.934 -15.385 3.178 695 HB3 ASN 87 2HB ASN 87 -18.783 -15.354 1.433 696 HD21 ASN 87 1HD2 ASN 87 -16.830 -15.167 0.470 697 HD22 ASN 87 2HD2 ASN 87 -15.312 -15.175 1.302 698 H LYS 88 H LYS 88 -16.800 -12.530 3.519 699 HA LYS 88 HA LYS 88 -16.302 -11.613 5.465 700 HB2 LYS 88 1HB LYS 88 -19.133 -10.769 5.123 701 HB3 LYS 88 2HB LYS 88 -18.476 -10.639 6.742 702 HG2 LYS 88 1HG LYS 88 -16.389 -9.620 5.229 703 HG3 LYS 88 2HG LYS 88 -17.775 -9.109 4.287 704 HD2 LYS 88 1HD LYS 88 -18.073 -8.707 7.224 705 HD3 LYS 88 2HD LYS 88 -16.790 -7.763 6.493 706 HE2 LYS 88 1HE LYS 88 -18.375 -6.286 5.810 707 HE3 LYS 88 2HE LYS 88 -18.933 -7.502 4.678 708 HZ1 LYS 88 1HZ LYS 88 -20.341 -8.369 6.466 709 HZ2 LYS 88 2HZ LYS 88 -19.882 -7.136 7.434 710 HZ3 LYS 88 3HZ LYS 88 -20.718 -6.832 6.064 711 H MET 89 H MET 89 -16.405 -14.347 5.373 712 HA MET 89 HA MET 89 -16.799 -14.934 8.088 713 HB2 MET 89 1HB MET 89 -18.548 -16.735 7.731 714 HB3 MET 89 2HB MET 89 -19.170 -15.127 7.420 715 HG2 MET 89 1HG MET 89 -19.824 -15.882 5.376 716 HG3 MET 89 2HG MET 89 -18.130 -15.909 4.926 717 HE1 MET 89 1HE MET 89 -21.241 -17.763 5.909 718 HE2 MET 89 2HE MET 89 -20.742 -19.443 6.220 719 HE3 MET 89 3HE MET 89 -20.372 -18.170 7.408 720 H GLU 90 H GLU 90 -14.548 -15.038 6.472 721 HA GLU 90 HA GLU 90 -14.012 -17.854 6.580 722 HB2 GLU 90 1HB GLU 90 -14.805 -17.553 4.253 723 HB3 GLU 90 2HB GLU 90 -13.641 -16.267 4.001 724 HG2 GLU 90 1HG GLU 90 -12.373 -18.000 3.155 725 HG3 GLU 90 2HG GLU 90 -11.918 -18.179 4.838 726 H TRP 91 H TRP 91 -11.881 -18.257 7.203 727 HA TRP 91 HA TRP 91 -10.323 -15.896 7.827 728 HB2 TRP 91 1HB TRP 91 -10.502 -17.426 9.600 729 HB3 TRP 91 2HB TRP 91 -10.157 -18.805 8.574 730 HD1 TRP 91 HD TRP 91 -7.603 -19.495 8.346 731 HE1 TRP 91 1HE TRP 91 -5.284 -18.647 9.279 732 HE3 TRP 91 3HE TRP 91 -9.368 -15.114 10.230 733 HZ2 TRP 91 2HZ TRP 91 -4.467 -16.292 10.668 734 HZ3 TRP 91 3HZ TRP 91 -7.744 -13.597 11.360 735 HH2 TRP 91 HH TRP 91 -5.369 -14.126 11.594 736 H TRP 92 H TRP 92 -8.497 -15.266 6.699 737 HA TRP 92 HA TRP 92 -7.895 -16.812 4.305 738 HB2 TRP 92 1HB TRP 92 -7.285 -13.999 5.194 739 HB3 TRP 92 2HB TRP 92 -6.475 -14.733 3.824 740 HD1 TRP 92 HD TRP 92 -10.115 -15.741 4.126 741 HE1 TRP 92 1HE TRP 92 -11.629 -14.569 2.310 742 HE3 TRP 92 3HE TRP 92 -6.583 -12.438 2.553 743 HZ2 TRP 92 2HZ TRP 92 -11.190 -12.440 0.462 744 HZ3 TRP 92 3HZ TRP 92 -7.207 -10.847 0.739 745 HH2 TRP 92 HH TRP 92 -9.419 -10.813 -0.300 746 H ASN 93 H ASN 93 -5.837 -17.732 3.933 747 HA ASN 93 HA ASN 93 -4.263 -17.978 6.350 748 HB2 ASN 93 1HB ASN 93 -5.115 -19.945 4.745 749 HB3 ASN 93 2HB ASN 93 -3.717 -19.508 3.784 750 HD21 ASN 93 1HD2 ASN 93 -4.229 -21.959 5.191 751 HD22 ASN 93 2HD2 ASN 93 -2.961 -22.197 6.346 752 H ARG 94 H ARG 94 -4.452 -16.032 3.626 753 HA ARG 94 HA ARG 94 -1.843 -15.087 3.960 754 HB2 ARG 94 1HB ARG 94 -1.297 -15.488 1.392 755 HB3 ARG 94 2HB ARG 94 -0.942 -16.745 2.560 756 HG2 ARG 94 1HG ARG 94 -2.129 -18.039 1.062 757 HG3 ARG 94 2HG ARG 94 -3.489 -17.461 2.005 758 HD2 ARG 94 1HD ARG 94 -3.914 -15.651 0.387 759 HD3 ARG 94 2HD ARG 94 -2.462 -16.055 -0.507 760 HE ARG 94 HE ARG 94 -5.020 -17.365 -0.742 761 HH11 ARG 94 2HH2 ARG 94 -1.566 -18.037 -0.797 762 HH12 ARG 94 1HH2 ARG 94 -1.725 -19.437 -1.804 763 HH21 ARG 94 2HH1 ARG 94 -5.230 -19.212 -2.071 764 HH22 ARG 94 1HH1 ARG 94 -3.823 -20.110 -2.534 765 H LEU 95 H LEU 95 -1.544 -13.030 2.814 766 HA LEU 95 HA LEU 95 -3.975 -11.688 2.334 767 HB2 LEU 95 1HB LEU 95 -1.859 -10.730 3.269 768 HB3 LEU 95 2HB LEU 95 -1.167 -10.806 1.660 769 HG LEU 95 HG LEU 95 -1.969 -8.556 2.251 770 HD11 LEU 95 1HD1 LEU 95 -3.816 -9.444 0.073 771 HD12 LEU 95 2HD1 LEU 95 -2.716 -8.046 0.149 772 HD13 LEU 95 3HD1 LEU 95 -2.063 -9.677 -0.137 773 HD21 LEU 95 1HD2 LEU 95 -4.812 -9.035 1.925 774 HD22 LEU 95 2HD2 LEU 95 -4.161 -9.896 3.340 775 HD23 LEU 95 3HD2 LEU 95 -3.939 -8.137 3.190 776 H VAL 96 H VAL 96 -1.259 -12.694 0.142 777 HA VAL 96 HA VAL 96 -3.238 -12.664 -2.029 778 HB VAL 96 HB VAL 96 -1.228 -12.057 -3.481 779 HG11 VAL 96 1HG1 VAL 96 -1.502 -9.590 -2.089 780 HG12 VAL 96 2HG1 VAL 96 -2.348 -10.132 -3.559 781 HG13 VAL 96 3HG1 VAL 96 -3.053 -10.453 -1.956 782 HG21 VAL 96 1HG2 VAL 96 -0.034 -10.722 -1.093 783 HG22 VAL 96 2HG2 VAL 96 0.286 -12.459 -1.311 784 HG23 VAL 96 3HG2 VAL 96 0.736 -11.304 -2.588 785 H THR 97 H THR 97 -2.984 -14.323 -3.631 786 HA THR 97 HA THR 97 -1.926 -16.742 -2.544 787 HB THR 97 HB THR 97 -2.862 -17.677 -4.661 788 HG1 THR 97 1HG THR 97 -3.027 -16.234 -6.340 789 HG21 THR 97 1HG2 THR 97 -5.191 -16.589 -4.585 790 HG22 THR 97 2HG2 THR 97 -4.616 -17.233 -3.029 791 HG23 THR 97 3HG2 THR 97 -4.544 -15.483 -3.349 792 H SER 98 H SER 98 -0.797 -14.270 -4.831 793 HA SER 98 HA SER 98 1.652 -15.839 -5.024 794 HB2 SER 98 1HB SER 98 1.894 -14.660 -7.338 795 HB3 SER 98 2HB SER 98 0.814 -16.034 -7.212 796 HG SER 98 HG SER 98 -0.569 -14.647 -8.122 797 H ASP 99 H ASP 99 3.124 -14.741 -3.769 798 HA ASP 99 HA ASP 99 2.928 -12.254 -2.841 799 HB2 ASP 99 1HB ASP 99 5.635 -12.379 -3.139 800 HB3 ASP 99 2HB ASP 99 4.762 -13.260 -1.901 801 HA PRO 100 HA PRO 100 3.919 -9.544 -6.144 802 HB2 PRO 100 1HB PRO 100 5.275 -7.502 -4.935 803 HB3 PRO 100 2HB PRO 100 3.531 -7.661 -4.876 804 HG2 PRO 100 1HG PRO 100 5.515 -8.217 -2.757 805 HG3 PRO 100 2HG PRO 100 3.788 -7.960 -2.604 806 HD2 PRO 100 1HD PRO 100 5.166 -10.473 -2.484 807 HD3 PRO 100 2HD PRO 100 3.431 -10.226 -2.447 808 H GLU 101 H GLU 101 6.848 -8.705 -4.451 809 HA GLU 101 HA GLU 101 8.329 -10.294 -6.355 810 HB2 GLU 101 1HB GLU 101 8.472 -7.269 -6.140 811 HB3 GLU 101 2HB GLU 101 9.843 -8.195 -6.720 812 HG2 GLU 101 1HG GLU 101 7.729 -9.289 -8.178 813 HG3 GLU 101 2HG GLU 101 7.267 -7.602 -8.062 814 H ILE 102 H ILE 102 9.536 -7.519 -4.422 815 HA ILE 102 HA ILE 102 11.216 -9.369 -2.959 816 HB ILE 102 HB ILE 102 11.173 -6.368 -2.744 817 HG12 ILE 102 1HG1 ILE 102 12.685 -8.010 -4.797 818 HG13 ILE 102 2HG1 ILE 102 11.278 -7.022 -5.139 819 HG21 ILE 102 1HG2 ILE 102 12.981 -8.570 -1.899 820 HG22 ILE 102 2HG2 ILE 102 13.745 -7.080 -2.502 821 HG23 ILE 102 3HG2 ILE 102 12.621 -7.008 -1.124 822 HD11 ILE 102 1HD1 ILE 102 12.621 -5.218 -5.368 823 HD12 ILE 102 2HD1 ILE 102 13.099 -5.374 -3.660 824 HD13 ILE 102 3HD1 ILE 102 14.037 -6.201 -4.926 825 H ASN 103 H ASN 103 11.541 -8.669 -0.499 826 HA ASN 103 HA ASN 103 8.886 -8.208 0.601 827 HB2 ASN 103 1HB ASN 103 10.697 -10.545 0.955 828 HB3 ASN 103 2HB ASN 103 10.134 -9.872 2.471 829 HD21 ASN 103 1HD2 ASN 103 9.505 -12.094 0.179 830 HD22 ASN 103 2HD2 ASN 103 7.791 -12.292 0.339 831 H THR 104 H THR 104 11.259 -6.432 0.141 832 HA THR 104 HA THR 104 12.675 -5.063 1.204 833 HB THR 104 HB THR 104 10.385 -4.228 1.849 834 HG1 THR 104 1HG THR 104 12.004 -2.919 2.699 835 HG21 THR 104 1HG2 THR 104 10.952 -5.966 4.302 836 HG22 THR 104 2HG2 THR 104 9.806 -4.604 4.328 837 HG23 THR 104 3HG2 THR 104 9.504 -6.001 3.267 838 H LYS 105 H LYS 105 13.437 -4.562 3.802 839 HA LYS 105 HA LYS 105 14.863 -7.040 4.363 840 HB2 LYS 105 1HB LYS 105 16.473 -5.681 5.488 841 HB3 LYS 105 2HB LYS 105 16.117 -4.923 3.949 842 HG2 LYS 105 1HG LYS 105 14.320 -3.547 5.299 843 HG3 LYS 105 2HG LYS 105 15.202 -4.075 6.718 844 HD2 LYS 105 1HD LYS 105 16.258 -2.031 6.209 845 HD3 LYS 105 2HD LYS 105 17.335 -3.199 5.469 846 HE2 LYS 105 1HE LYS 105 16.849 -2.492 3.341 847 HE3 LYS 105 2HE LYS 105 15.134 -2.354 3.672 848 HZ1 LYS 105 1HZ LYS 105 17.091 -0.344 3.699 849 HZ2 LYS 105 2HZ LYS 105 15.466 -0.194 3.767 850 HZ3 LYS 105 3HZ LYS 105 16.327 -0.387 5.141 851 H LYS 106 H LYS 106 15.434 -7.059 6.958 852 HA LYS 106 HA LYS 106 13.234 -8.050 8.191 853 HB2 LYS 106 1HB LYS 106 15.895 -7.696 8.821 854 HB3 LYS 106 2HB LYS 106 15.099 -6.704 10.027 855 HG2 LYS 106 1HG LYS 106 13.777 -8.555 10.833 856 HG3 LYS 106 2HG LYS 106 14.164 -9.541 9.437 857 HD2 LYS 106 1HD LYS 106 15.723 -10.455 10.860 858 HD3 LYS 106 2HD LYS 106 16.691 -9.091 10.336 859 HE2 LYS 106 1HE LYS 106 15.225 -7.951 12.394 860 HE3 LYS 106 2HE LYS 106 15.406 -9.594 12.974 861 HZ1 LYS 106 1HZ LYS 106 17.794 -8.472 11.872 862 HZ2 LYS 106 2HZ LYS 106 17.257 -7.705 13.210 863 HZ3 LYS 106 3HZ LYS 106 17.578 -9.306 13.259 864 H ILE 107 H ILE 107 12.138 -7.142 10.255 865 HA ILE 107 HA ILE 107 10.437 -5.169 9.626 866 HB ILE 107 HB ILE 107 11.566 -5.819 12.350 867 HG12 ILE 107 1HG1 ILE 107 9.064 -6.957 12.148 868 HG13 ILE 107 2HG1 ILE 107 9.701 -7.186 10.531 869 HG21 ILE 107 1HG2 ILE 107 10.439 -3.663 12.402 870 HG22 ILE 107 2HG2 ILE 107 9.012 -4.368 11.605 871 HG23 ILE 107 3HG2 ILE 107 9.470 -4.898 13.241 872 HD11 ILE 107 1HD1 ILE 107 11.606 -7.768 12.764 873 HD12 ILE 107 2HD1 ILE 107 10.230 -8.884 12.589 874 HD13 ILE 107 3HD1 ILE 107 11.352 -8.635 11.230 875 H ASN 108 H ASN 108 12.837 -4.325 12.169 876 HA ASN 108 HA ASN 108 12.732 -1.650 11.574 877 HB2 ASN 108 1HB ASN 108 14.705 -1.445 13.050 878 HB3 ASN 108 2HB ASN 108 13.601 -2.631 13.719 879 HD21 ASN 108 1HD2 ASN 108 16.688 -2.024 12.333 880 HD22 ASN 108 2HD2 ASN 108 17.374 -3.607 12.490 881 HA PRO 109 HA PRO 109 15.406 -1.603 8.069 882 HB2 PRO 109 1HB PRO 109 15.529 1.098 7.676 883 HB3 PRO 109 2HB PRO 109 14.216 0.102 7.081 884 HG2 PRO 109 1HG PRO 109 14.238 1.959 9.381 885 HG3 PRO 109 2HG PRO 109 12.864 1.293 8.521 886 HD2 PRO 109 1HD PRO 109 13.849 0.467 11.085 887 HD3 PRO 109 2HD PRO 109 12.548 -0.274 10.174 888 H GLU 110 H GLU 110 16.196 1.124 10.181 889 HA GLU 110 HA GLU 110 18.546 0.005 11.076 890 HB2 GLU 110 1HB GLU 110 18.740 1.255 8.408 891 HB3 GLU 110 2HB GLU 110 19.871 1.940 9.559 892 HG2 GLU 110 1HG GLU 110 21.115 0.014 9.686 893 HG3 GLU 110 2HG GLU 110 19.702 -1.022 9.686 894 H ASN 111 H ASN 111 18.689 1.039 13.014 895 HA ASN 111 HA ASN 111 18.120 3.899 12.977 896 HB2 ASN 111 1HB ASN 111 16.437 2.249 14.182 897 HB3 ASN 111 2HB ASN 111 17.676 2.126 15.415 898 HD21 ASN 111 1HD2 ASN 111 17.723 3.570 16.969 899 HD22 ASN 111 2HD2 ASN 111 16.913 5.101 16.994 900 H SER 112 H SER 112 20.674 3.480 12.506 901 HA SER 112 HA SER 112 21.975 3.363 15.115 902 HB2 SER 112 1HB SER 112 22.627 2.116 12.509 903 HB3 SER 112 2HB SER 112 23.991 2.936 13.244 904 HG SER 112 HG SER 112 23.855 1.621 15.067 905 H LYS 113 H LYS 113 20.700 5.699 13.741 906 HA LYS 113 HA LYS 113 23.123 7.291 13.257 907 HB2 LYS 113 1HB LYS 113 20.341 7.524 12.086 908 HB3 LYS 113 2HB LYS 113 21.528 8.808 11.982 909 HG2 LYS 113 1HG LYS 113 23.108 7.318 10.808 910 HG3 LYS 113 2HG LYS 113 22.027 5.954 11.015 911 HD2 LYS 113 1HD LYS 113 20.271 7.223 9.681 912 HD3 LYS 113 2HD LYS 113 21.463 8.472 9.380 913 HE2 LYS 113 1HE LYS 113 22.062 5.568 8.703 914 HE3 LYS 113 2HE LYS 113 21.152 6.573 7.593 915 HZ1 LYS 113 1HZ LYS 113 23.710 7.482 8.680 916 HZ2 LYS 113 2HZ LYS 113 23.650 6.517 7.364 917 HZ3 LYS 113 3HZ LYS 113 22.942 7.988 7.330 918 H LEU 114 H LEU 114 22.397 9.804 13.674 919 HA LEU 114 HA LEU 114 20.990 9.835 16.244 920 HB2 LEU 114 1HB LEU 114 23.061 9.955 17.126 921 HB3 LEU 114 2HB LEU 114 23.788 10.575 15.657 922 HG LEU 114 HG LEU 114 22.319 12.733 16.369 923 HD11 LEU 114 1HD1 LEU 114 21.919 11.146 18.561 924 HD12 LEU 114 2HD1 LEU 114 23.311 12.131 19.070 925 HD13 LEU 114 3HD1 LEU 114 21.807 12.922 18.541 926 HD21 LEU 114 1HD2 LEU 114 24.956 12.425 17.737 927 HD22 LEU 114 2HD2 LEU 114 24.894 12.276 15.965 928 HD23 LEU 114 3HD2 LEU 114 24.320 13.765 16.753 929 H SER 115 H SER 115 19.172 10.982 15.847 930 HA SER 115 HA SER 115 18.660 12.535 13.747 931 HB2 SER 115 1HB SER 115 17.019 13.767 15.306 932 HB3 SER 115 2HB SER 115 16.867 12.024 15.217 933 HG SER 115 HG SER 115 17.558 11.801 17.266 934 H ASP 116 H ASP 116 19.917 14.171 12.910 935 HA ASP 116 HA ASP 116 20.218 16.527 14.392 936 HB2 ASP 116 1HB ASP 116 22.161 14.824 15.119 937 HB3 ASP 116 2HB ASP 116 22.889 15.347 13.613 938 H LEU 117 H LEU 117 19.110 17.154 12.354 939 HA LEU 117 HA LEU 117 21.014 17.710 10.247 940 HB2 LEU 117 1HB LEU 117 18.779 15.766 9.996 941 HB3 LEU 117 2HB LEU 117 19.033 16.872 8.661 942 HG LEU 117 HG LEU 117 21.251 15.156 9.792 943 HD11 LEU 117 1HD1 LEU 117 19.705 13.536 9.116 944 HD12 LEU 117 2HD1 LEU 117 19.181 14.486 7.705 945 HD13 LEU 117 3HD1 LEU 117 20.789 13.722 7.717 946 HD21 LEU 117 1HD2 LEU 117 22.118 16.970 8.527 947 HD22 LEU 117 2HD2 LEU 117 22.201 15.528 7.487 948 HD23 LEU 117 3HD2 LEU 117 20.918 16.736 7.234 949 H ASP 118 H ASP 118 19.567 18.954 8.402 950 HA ASP 118 HA ASP 118 17.389 20.379 9.462 951 HB2 ASP 118 1HB ASP 118 19.176 21.565 10.687 952 HB3 ASP 118 2HB ASP 118 20.073 21.812 9.201 953 H SER 119 H SER 119 16.184 20.857 7.612 954 HA SER 119 HA SER 119 17.167 22.145 5.418 955 HB2 SER 119 1HB SER 119 18.157 19.577 5.334 956 HB3 SER 119 2HB SER 119 16.670 19.378 4.429 957 HG SER 119 HG SER 119 17.432 20.595 2.806 958 H GLU 120 H GLU 120 15.347 23.038 4.491 959 HA GLU 120 HA GLU 120 12.907 21.455 4.690 960 HB2 GLU 120 1HB GLU 120 11.631 23.430 5.274 961 HB3 GLU 120 2HB GLU 120 12.975 23.310 6.392 962 HG2 GLU 120 1HG GLU 120 13.872 25.282 5.688 963 HG3 GLU 120 2HG GLU 120 13.729 24.836 3.999 964 H THR 121 H THR 121 11.550 23.950 3.409 965 HA THR 121 HA THR 121 12.748 24.422 0.922 966 HB THR 121 HB THR 121 12.264 21.931 0.691 967 HG1 THR 121 1HG THR 121 11.709 22.461 -1.420 968 HG21 THR 121 1HG2 THR 121 10.164 21.082 1.028 969 HG22 THR 121 2HG2 THR 121 9.765 22.623 1.825 970 HG23 THR 121 3HG2 THR 121 9.422 22.403 0.092 971 H ARG 122 H ARG 122 11.113 25.427 -0.654 972 HA ARG 122 HA ARG 122 8.614 26.129 0.116 973 HB2 ARG 122 1HB ARG 122 10.675 27.658 1.555 974 HB3 ARG 122 2HB ARG 122 9.655 28.723 0.608 975 HG2 ARG 122 1HG ARG 122 8.250 26.582 2.174 976 HG3 ARG 122 2HG ARG 122 8.994 27.865 3.108 977 HD2 ARG 122 1HD ARG 122 7.527 29.481 2.327 978 HD3 ARG 122 2HD ARG 122 7.416 28.769 0.730 979 HE ARG 122 HE ARG 122 6.176 26.932 2.473 980 HH11 ARG 122 2HH2 ARG 122 5.686 30.271 1.476 981 HH12 ARG 122 1HH2 ARG 122 3.972 30.227 1.721 982 HH21 ARG 122 2HH1 ARG 122 3.915 26.873 2.797 983 HH22 ARG 122 1HH1 ARG 122 2.957 28.281 2.477 984 H SER 123 H SER 123 7.787 26.650 -1.884 985 HA SER 123 HA SER 123 8.726 28.773 -3.369 986 HB2 SER 123 1HB SER 123 10.134 26.256 -3.869 987 HB3 SER 123 2HB SER 123 9.306 26.800 -5.315 988 HG SER 123 HG SER 123 11.637 27.656 -4.504 989 H MET 124 H MET 124 7.692 28.621 -5.752 990 HA MET 124 HA MET 124 5.268 27.019 -5.551 991 HB2 MET 124 1HB MET 124 5.116 29.617 -5.010 992 HB3 MET 124 2HB MET 124 5.304 29.829 -6.740 993 HG2 MET 124 1HG MET 124 3.274 27.783 -6.022 994 HG3 MET 124 2HG MET 124 2.886 29.385 -5.427 995 HE1 MET 124 1HE MET 124 1.763 31.295 -7.202 996 HE2 MET 124 2HE MET 124 3.499 31.438 -6.837 997 HE3 MET 124 3HE MET 124 2.925 31.608 -8.513 998 H VAL 125 H VAL 125 4.072 27.015 -7.805 999 HA VAL 125 HA VAL 125 5.832 27.384 -10.052 1000 HB VAL 125 HB VAL 125 6.532 25.207 -9.124 1001 HG11 VAL 125 1HG1 VAL 125 4.087 24.730 -8.309 1002 HG12 VAL 125 2HG1 VAL 125 3.886 24.026 -9.931 1003 HG13 VAL 125 3HG1 VAL 125 5.129 23.384 -8.830 1004 HG21 VAL 125 1HG2 VAL 125 5.985 23.872 -11.301 1005 HG22 VAL 125 2HG2 VAL 125 5.231 25.394 -11.832 1006 HG23 VAL 125 3HG2 VAL 125 6.958 25.359 -11.404 1007 H SER 126 H SER 126 4.540 28.375 -11.506 1008 HA SER 126 HA SER 126 1.710 27.752 -11.356 1009 HB2 SER 126 1HB SER 126 1.561 29.844 -12.876 1010 HB3 SER 126 2HB SER 126 2.011 30.091 -11.201 1011 HG SER 126 HG SER 126 3.647 31.173 -12.102 1012 H GLY 127 H GLY 127 0.498 27.536 -13.467 1013 HA2 GLY 127 1HA GLY 127 2.225 26.337 -15.552 1014 HA3 GLY 127 2HA GLY 127 0.666 25.691 -15.079 1015 HA PRO 128 HA PRO 128 0.132 29.670 -17.653 1016 HB2 PRO 128 1HB PRO 128 2.084 30.143 -19.506 1017 HB3 PRO 128 2HB PRO 128 2.017 30.957 -17.956 1018 HG2 PRO 128 1HG PRO 128 3.820 28.784 -18.832 1019 HG3 PRO 128 2HG PRO 128 4.003 29.884 -17.480 1020 HD2 PRO 128 1HD PRO 128 3.184 27.137 -17.360 1021 HD3 PRO 128 2HD PRO 128 3.255 28.269 -16.024 1022 H SER 129 H SER 129 -0.317 30.104 -20.109 1023 HA SER 129 HA SER 129 -0.911 27.437 -21.125 1024 HB2 SER 129 1HB SER 129 -2.723 29.351 -20.551 1025 HB3 SER 129 2HB SER 129 -2.322 29.878 -22.173 1026 HG SER 129 HG SER 129 -2.846 27.101 -21.789 1027 H SER 130 H SER 130 -1.279 27.652 -23.734 1028 HA SER 130 HA SER 130 0.710 29.422 -24.839 1029 HB2 SER 130 1HB SER 130 0.823 26.387 -25.092 1030 HB3 SER 130 2HB SER 130 1.699 27.466 -26.159 1031 HG SER 130 HG SER 130 3.133 27.916 -24.605 1032 H GLY 131 H GLY 131 0.705 29.009 -27.419 1033 HA2 GLY 131 1HA GLY 131 -0.838 27.996 -29.120 1034 HA3 GLY 131 2HA GLY 131 -2.136 28.713 -28.186 Start of MODEL 2 1 H1 GLY 1 H GLY 1 24.217 -9.862 10.248 2 HA2 GLY 1 1HA GLY 1 22.538 -8.368 8.833 3 HA3 GLY 1 2HA GLY 1 23.209 -9.368 7.560 4 H SER 2 H SER 2 20.444 -9.216 8.924 5 HA SER 2 HA SER 2 20.131 -12.055 9.043 6 HB2 SER 2 1HB SER 2 18.955 -12.025 11.241 7 HB3 SER 2 2HB SER 2 20.650 -11.604 11.390 8 HG SER 2 HG SER 2 19.980 -9.316 11.373 9 H SER 3 H SER 3 17.960 -12.687 8.531 10 HA SER 3 HA SER 3 16.426 -10.514 7.438 11 HB2 SER 3 1HB SER 3 16.822 -12.540 6.073 12 HB3 SER 3 2HB SER 3 16.050 -13.538 7.290 13 HG SER 3 HG SER 3 14.167 -13.084 6.396 14 H GLY 4 H GLY 4 14.065 -10.311 7.881 15 HA2 GLY 4 1HA GLY 4 12.180 -10.571 9.157 16 HA3 GLY 4 2HA GLY 4 13.021 -11.692 10.209 17 H SER 5 H SER 5 11.598 -8.691 10.138 18 HA SER 5 HA SER 5 12.961 -7.952 12.540 19 HB2 SER 5 1HB SER 5 13.950 -6.841 10.217 20 HB3 SER 5 2HB SER 5 12.743 -5.651 10.664 21 HG SER 5 HG SER 5 14.868 -6.627 12.378 22 H SER 6 H SER 6 10.684 -8.649 13.132 23 HA SER 6 HA SER 6 8.629 -8.237 13.697 24 HB2 SER 6 1HB SER 6 9.895 -5.530 13.739 25 HB3 SER 6 2HB SER 6 8.143 -5.543 13.776 26 HG SER 6 HG SER 6 9.850 -6.019 15.813 27 H GLY 7 H GLY 7 7.262 -9.001 12.092 28 HA2 GLY 7 1HA GLY 7 5.876 -8.982 10.324 29 HA3 GLY 7 2HA GLY 7 5.788 -7.242 10.512 30 HA PRO 8 HA PRO 8 8.245 -8.436 6.734 31 HB2 PRO 8 1HB PRO 8 6.348 -8.462 4.767 32 HB3 PRO 8 2HB PRO 8 6.944 -9.916 5.543 33 HG2 PRO 8 1HG PRO 8 4.357 -8.538 5.927 34 HG3 PRO 8 2HG PRO 8 4.799 -10.180 6.350 35 HD2 PRO 8 1HD PRO 8 4.557 -7.951 8.140 36 HD3 PRO 8 2HD PRO 8 5.111 -9.564 8.544 37 H ASN 9 H ASN 9 7.752 -7.196 4.294 38 HA ASN 9 HA ASN 9 8.655 -4.700 4.845 39 HB2 ASN 9 1HB ASN 9 7.650 -6.165 2.520 40 HB3 ASN 9 2HB ASN 9 7.113 -4.499 2.436 41 HD21 ASN 9 1HD2 ASN 9 8.389 -3.616 0.968 42 HD22 ASN 9 2HD2 ASN 9 10.121 -3.568 1.003 43 H TYR 10 H TYR 10 5.352 -6.022 4.787 44 HA TYR 10 HA TYR 10 4.349 -3.454 5.744 45 HB2 TYR 10 1HB TYR 10 2.398 -3.786 4.132 46 HB3 TYR 10 2HB TYR 10 3.914 -3.542 3.287 47 HD1 TYR 10 1HD TYR 10 5.112 -5.522 2.286 48 HD2 TYR 10 2HD TYR 10 1.162 -5.821 3.903 49 HE1 TYR 10 1HE TYR 10 4.752 -7.701 1.025 50 HE2 TYR 10 2HE TYR 10 0.816 -7.998 2.637 51 HH TYR 10 HH TYR 10 1.749 -9.038 0.560 52 H ARG 11 H ARG 11 2.133 -3.688 6.735 53 HA ARG 11 HA ARG 11 1.981 -6.332 7.927 54 HB2 ARG 11 1HB ARG 11 0.693 -5.173 9.762 55 HB3 ARG 11 2HB ARG 11 2.317 -4.543 9.568 56 HG2 ARG 11 1HG ARG 11 1.511 -2.468 9.139 57 HG3 ARG 11 2HG ARG 11 0.564 -3.075 7.795 58 HD2 ARG 11 1HD ARG 11 -1.303 -2.636 9.015 59 HD3 ARG 11 2HD ARG 11 -0.853 -3.961 10.070 60 HE ARG 11 HE ARG 11 -0.491 -1.088 10.606 61 HH11 ARG 11 2HH2 ARG 11 0.418 -4.364 11.513 62 HH12 ARG 11 1HH2 ARG 11 0.936 -3.917 13.104 63 HH21 ARG 11 2HH1 ARG 11 0.193 -0.497 12.704 64 HH22 ARG 11 1HH1 ARG 11 0.807 -1.702 13.786 65 H TRP 12 H TRP 12 -0.069 -7.438 8.028 66 HA TRP 12 HA TRP 12 -2.373 -6.138 6.861 67 HB2 TRP 12 1HB TRP 12 -2.659 -7.474 5.014 68 HB3 TRP 12 2HB TRP 12 -0.940 -7.132 4.978 69 HD1 TRP 12 HD TRP 12 0.702 -9.233 5.163 70 HE1 TRP 12 1HE TRP 12 0.446 -11.858 5.242 71 HE3 TRP 12 3HE TRP 12 -4.318 -9.245 5.978 72 HZ2 TRP 12 2HZ TRP 12 -1.777 -13.606 5.627 73 HZ3 TRP 12 3HZ TRP 12 -5.453 -11.454 6.193 74 HH2 TRP 12 HH TRP 12 -4.266 -13.584 6.031 75 H THR 13 H THR 13 -4.205 -6.882 7.906 76 HA THR 13 HA THR 13 -4.037 -9.474 9.256 77 HB THR 13 HB THR 13 -4.664 -8.514 11.377 78 HG1 THR 13 1HG THR 13 -5.046 -6.178 9.646 79 HG21 THR 13 1HG2 THR 13 -2.237 -7.963 10.646 80 HG22 THR 13 2HG2 THR 13 -2.852 -6.353 10.202 81 HG23 THR 13 3HG2 THR 13 -2.935 -6.902 11.893 82 H GLN 14 H GLN 14 -6.528 -9.282 10.588 83 HA GLN 14 HA GLN 14 -8.549 -8.320 8.989 84 HB2 GLN 14 1HB GLN 14 -9.352 -10.266 7.792 85 HB3 GLN 14 2HB GLN 14 -7.674 -10.022 7.350 86 HG2 GLN 14 1HG GLN 14 -7.152 -11.688 9.328 87 HG3 GLN 14 2HG GLN 14 -8.845 -12.124 9.201 88 HE21 GLN 14 1HE2 GLN 14 -6.245 -13.507 8.584 89 HE22 GLN 14 2HE2 GLN 14 -6.412 -14.131 6.977 90 H THR 15 H THR 15 -10.743 -9.243 9.688 91 HA THR 15 HA THR 15 -10.501 -10.481 12.351 92 HB THR 15 HB THR 15 -12.191 -8.938 13.146 93 HG1 THR 15 1HG THR 15 -13.622 -8.276 11.595 94 HG21 THR 15 1HG2 THR 15 -9.783 -7.911 11.970 95 HG22 THR 15 2HG2 THR 15 -11.096 -6.806 11.498 96 HG23 THR 15 3HG2 THR 15 -10.787 -7.138 13.219 97 H LEU 16 H LEU 16 -10.766 -11.893 9.846 98 HA LEU 16 HA LEU 16 -11.978 -13.504 8.948 99 HB2 LEU 16 1HB LEU 16 -13.305 -13.371 11.649 100 HB3 LEU 16 2HB LEU 16 -13.770 -14.546 10.435 101 HG LEU 16 HG LEU 16 -10.871 -14.458 10.958 102 HD11 LEU 16 1HD1 LEU 16 -12.493 -15.733 13.133 103 HD12 LEU 16 2HD1 LEU 16 -10.795 -15.199 13.135 104 HD13 LEU 16 3HD1 LEU 16 -12.106 -13.998 13.221 105 HD21 LEU 16 1HD2 LEU 16 -12.774 -16.801 11.095 106 HD22 LEU 16 2HD2 LEU 16 -12.160 -16.139 9.561 107 HD23 LEU 16 3HD2 LEU 16 -11.026 -16.806 10.760 108 H ALA 17 H ALA 17 -12.809 -10.483 8.938 109 HA ALA 17 HA ALA 17 -15.235 -10.986 7.426 110 HB1 ALA 17 1HB ALA 17 -15.511 -10.244 10.041 111 HB2 ALA 17 2HB ALA 17 -15.412 -8.651 9.254 112 HB3 ALA 17 3HB ALA 17 -16.665 -9.812 8.756 113 H GLU 18 H GLU 18 -12.981 -8.458 8.746 114 HA GLU 18 HA GLU 18 -12.975 -7.342 6.049 115 HB2 GLU 18 1HB GLU 18 -12.481 -5.158 7.060 116 HB3 GLU 18 2HB GLU 18 -13.952 -5.818 7.746 117 HG2 GLU 18 1HG GLU 18 -12.818 -5.117 9.676 118 HG3 GLU 18 2HG GLU 18 -12.365 -6.808 9.606 119 H LEU 19 H LEU 19 -10.857 -6.296 5.389 120 HA LEU 19 HA LEU 19 -8.616 -7.714 6.655 121 HB2 LEU 19 1HB LEU 19 -9.513 -7.578 3.872 122 HB3 LEU 19 2HB LEU 19 -7.820 -7.172 4.075 123 HG LEU 19 HG LEU 19 -8.701 -9.607 5.510 124 HD11 LEU 19 1HD1 LEU 19 -8.908 -11.025 3.623 125 HD12 LEU 19 2HD1 LEU 19 -10.006 -9.651 3.346 126 HD13 LEU 19 3HD1 LEU 19 -8.442 -9.725 2.500 127 HD21 LEU 19 1HD2 LEU 19 -6.362 -9.105 3.652 128 HD22 LEU 19 2HD2 LEU 19 -6.353 -8.788 5.403 129 HD23 LEU 19 3HD2 LEU 19 -6.566 -10.449 4.800 130 H ASP 20 H ASP 20 -6.985 -6.461 7.428 131 HA ASP 20 HA ASP 20 -7.149 -3.644 6.702 132 HB2 ASP 20 1HB ASP 20 -6.676 -5.104 9.234 133 HB3 ASP 20 2HB ASP 20 -5.485 -3.850 8.949 134 H LEU 21 H LEU 21 -5.313 -2.738 5.703 135 HA LEU 21 HA LEU 21 -2.815 -4.247 5.880 136 HB2 LEU 21 1HB LEU 21 -3.646 -5.036 3.848 137 HB3 LEU 21 2HB LEU 21 -4.308 -3.478 3.393 138 HG LEU 21 HG LEU 21 -2.343 -4.100 2.056 139 HD11 LEU 21 1HD1 LEU 21 -2.904 -1.638 3.187 140 HD12 LEU 21 2HD1 LEU 21 -1.158 -1.835 3.466 141 HD13 LEU 21 3HD1 LEU 21 -1.814 -1.949 1.815 142 HD21 LEU 21 1HD2 LEU 21 -1.289 -5.025 4.451 143 HD22 LEU 21 2HD2 LEU 21 -0.440 -4.897 2.892 144 HD23 LEU 21 3HD2 LEU 21 -0.318 -3.580 4.083 145 H ALA 22 H ALA 22 -0.931 -2.957 5.815 146 HA ALA 22 HA ALA 22 -1.310 -0.098 5.460 147 HB1 ALA 22 1HB ALA 22 -0.561 0.506 7.613 148 HB2 ALA 22 2HB ALA 22 -1.706 -0.820 7.923 149 HB3 ALA 22 3HB ALA 22 0.046 -1.130 7.962 150 H VAL 23 H VAL 23 0.528 0.899 4.628 151 HA VAL 23 HA VAL 23 2.962 -0.723 4.562 152 HB VAL 23 HB VAL 23 1.665 0.626 2.186 153 HG11 VAL 23 1HG1 VAL 23 4.261 0.594 2.425 154 HG12 VAL 23 2HG1 VAL 23 4.101 -1.140 2.056 155 HG13 VAL 23 3HG1 VAL 23 3.519 0.075 0.892 156 HG21 VAL 23 1HG2 VAL 23 1.337 -2.003 3.297 157 HG22 VAL 23 2HG2 VAL 23 0.589 -1.296 1.845 158 HG23 VAL 23 3HG2 VAL 23 2.155 -2.132 1.722 159 HA PRO 24 HA PRO 24 4.121 3.327 5.893 160 HB2 PRO 24 1HB PRO 24 6.367 2.569 7.252 161 HB3 PRO 24 2HB PRO 24 4.778 2.632 7.987 162 HG2 PRO 24 1HG PRO 24 6.332 0.268 7.130 163 HG3 PRO 24 2HG PRO 24 4.968 0.346 8.228 164 HD2 PRO 24 1HD PRO 24 4.929 -0.547 5.502 165 HD3 PRO 24 2HD PRO 24 3.547 -0.359 6.564 166 H PHE 25 H PHE 25 5.433 4.933 5.096 167 HA PHE 25 HA PHE 25 7.469 3.893 3.255 168 HB2 PHE 25 1HB PHE 25 5.487 6.235 3.025 169 HB3 PHE 25 2HB PHE 25 6.805 5.996 1.894 170 HD1 PHE 25 1HD PHE 25 6.482 2.867 1.975 171 HD2 PHE 25 2HD PHE 25 3.803 6.087 1.298 172 HE1 PHE 25 1HE PHE 25 5.024 1.363 0.594 173 HE2 PHE 25 2HE PHE 25 2.345 4.583 -0.084 174 HZ PHE 25 HZ PHE 25 2.972 2.239 -0.420 175 H ARG 26 H ARG 26 9.382 5.190 3.007 176 HA ARG 26 HA ARG 26 9.961 6.637 5.381 177 HB2 ARG 26 1HB ARG 26 11.439 5.230 3.374 178 HB3 ARG 26 2HB ARG 26 12.015 6.884 3.319 179 HG2 ARG 26 1HG ARG 26 11.699 5.995 6.094 180 HG3 ARG 26 2HG ARG 26 12.727 4.888 5.206 181 HD2 ARG 26 1HD ARG 26 14.424 6.422 5.004 182 HD3 ARG 26 2HD ARG 26 13.326 7.738 4.639 183 HE ARG 26 HE ARG 26 14.478 7.209 7.191 184 HH11 ARG 26 2HH2 ARG 26 11.348 8.026 5.804 185 HH12 ARG 26 1HH2 ARG 26 10.783 8.831 7.229 186 HH21 ARG 26 2HH1 ARG 26 13.733 8.271 9.072 187 HH22 ARG 26 1HH1 ARG 26 12.149 8.972 9.101 188 H VAL 27 H VAL 27 8.616 8.544 5.256 189 HA VAL 27 HA VAL 27 9.583 10.478 3.279 190 HB VAL 27 HB VAL 27 7.184 11.328 3.239 191 HG11 VAL 27 1HG1 VAL 27 6.883 8.800 1.867 192 HG12 VAL 27 2HG1 VAL 27 7.162 10.426 1.198 193 HG13 VAL 27 3HG1 VAL 27 8.544 9.413 1.680 194 HG21 VAL 27 1HG2 VAL 27 6.674 9.606 5.219 195 HG22 VAL 27 2HG2 VAL 27 5.432 10.097 4.041 196 HG23 VAL 27 3HG2 VAL 27 6.283 8.546 3.843 197 H SER 28 H SER 28 9.053 12.782 3.993 198 HA SER 28 HA SER 28 9.199 12.856 6.906 199 HB2 SER 28 1HB SER 28 11.013 13.860 4.959 200 HB3 SER 28 2HB SER 28 10.206 15.270 5.616 201 HG SER 28 HG SER 28 11.616 15.063 7.219 202 H PHE 29 H PHE 29 6.987 13.128 4.600 203 HA PHE 29 HA PHE 29 5.713 15.423 5.887 204 HB2 PHE 29 1HB PHE 29 4.814 15.800 3.413 205 HB3 PHE 29 2HB PHE 29 6.424 16.370 3.804 206 HD1 PHE 29 2HD PHE 29 4.681 13.371 2.437 207 HD2 PHE 29 1HD PHE 29 8.206 15.733 2.467 208 HE1 PHE 29 2HE PHE 29 5.627 11.982 0.572 209 HE2 PHE 29 1HE PHE 29 9.152 14.345 0.602 210 HZ PHE 29 HZ PHE 29 7.851 12.486 -0.323 211 H ARG 30 H ARG 30 3.272 15.466 4.769 212 HA ARG 30 HA ARG 30 2.282 12.871 5.506 213 HB2 ARG 30 1HB ARG 30 1.259 15.644 5.482 214 HB3 ARG 30 2HB ARG 30 0.079 14.506 4.861 215 HG2 ARG 30 1HG ARG 30 -0.136 13.391 6.892 216 HG3 ARG 30 2HG ARG 30 1.528 13.683 7.357 217 HD2 ARG 30 1HD ARG 30 1.018 16.049 7.866 218 HD3 ARG 30 2HD ARG 30 -0.622 15.855 7.279 219 HE ARG 30 HE ARG 30 -1.197 14.884 9.323 220 HH11 ARG 30 2HH2 ARG 30 2.291 14.663 8.908 221 HH12 ARG 30 1HH2 ARG 30 2.567 14.018 10.492 222 HH21 ARG 30 2HH1 ARG 30 -0.833 14.034 11.413 223 HH22 ARG 30 1HH1 ARG 30 0.778 13.658 11.926 224 H LEU 31 H LEU 31 2.451 11.443 3.757 225 HA LEU 31 HA LEU 31 2.262 12.185 1.090 226 HB2 LEU 31 1HB LEU 31 2.101 9.632 2.624 227 HB3 LEU 31 2HB LEU 31 1.612 9.622 0.941 228 HG LEU 31 HG LEU 31 4.294 10.700 1.823 229 HD11 LEU 31 1HD1 LEU 31 3.393 7.956 1.876 230 HD12 LEU 31 2HD1 LEU 31 4.691 8.169 0.676 231 HD13 LEU 31 3HD1 LEU 31 4.956 8.653 2.368 232 HD21 LEU 31 1HD2 LEU 31 3.040 9.960 -0.806 233 HD22 LEU 31 2HD2 LEU 31 3.920 11.435 -0.340 234 HD23 LEU 31 3HD2 LEU 31 4.807 9.914 -0.600 235 H LYS 32 H LYS 32 0.583 12.272 -0.412 236 HA LYS 32 HA LYS 32 -2.074 12.327 0.812 237 HB2 LYS 32 1HB LYS 32 -0.952 13.643 -1.675 238 HB3 LYS 32 2HB LYS 32 -2.656 13.644 -1.266 239 HG2 LYS 32 1HG LYS 32 -2.388 15.203 0.392 240 HG3 LYS 32 2HG LYS 32 -0.932 14.445 1.004 241 HD2 LYS 32 1HD LYS 32 0.346 15.422 -0.954 242 HD3 LYS 32 2HD LYS 32 -1.114 16.256 -1.450 243 HE2 LYS 32 1HE LYS 32 -1.042 17.757 0.339 244 HE3 LYS 32 2HE LYS 32 -0.247 16.620 1.409 245 HZ1 LYS 32 1HZ LYS 32 0.945 18.220 -0.723 246 HZ2 LYS 32 2HZ LYS 32 1.381 18.125 0.848 247 HZ3 LYS 32 3HZ LYS 32 1.704 16.885 -0.165 248 H GLY 33 H GLY 33 -3.695 11.977 -1.402 249 HA2 GLY 33 1HA GLY 33 -3.239 9.133 -1.950 250 HA3 GLY 33 2HA GLY 33 -4.749 10.012 -2.088 251 H LYS 34 H LYS 34 -1.736 11.421 -3.340 252 HA LYS 34 HA LYS 34 -2.684 10.810 -6.054 253 HB2 LYS 34 1HB LYS 34 -1.894 13.011 -6.746 254 HB3 LYS 34 2HB LYS 34 -3.114 13.147 -5.496 255 HG2 LYS 34 1HG LYS 34 -0.861 13.051 -3.937 256 HG3 LYS 34 2HG LYS 34 -0.193 13.791 -5.378 257 HD2 LYS 34 1HD LYS 34 -2.815 14.893 -4.423 258 HD3 LYS 34 2HD LYS 34 -1.427 15.211 -3.402 259 HE2 LYS 34 1HE LYS 34 -0.203 16.043 -5.504 260 HE3 LYS 34 2HE LYS 34 -1.731 15.928 -6.353 261 HZ1 LYS 34 1HZ LYS 34 -2.145 17.924 -5.554 262 HZ2 LYS 34 2HZ LYS 34 -2.296 17.279 -4.062 263 HZ3 LYS 34 3HZ LYS 34 -0.864 17.900 -4.542 264 H ASP 35 H ASP 35 0.054 11.261 -3.790 265 HA ASP 35 HA ASP 35 1.889 10.461 -5.852 266 HB2 ASP 35 1HB ASP 35 2.326 12.225 -4.000 267 HB3 ASP 35 2HB ASP 35 2.468 10.877 -2.889 268 H VAL 36 H VAL 36 -0.182 8.537 -5.091 269 HA VAL 36 HA VAL 36 1.541 6.386 -4.192 270 HB VAL 36 HB VAL 36 0.763 6.759 -2.094 271 HG11 VAL 36 1HG1 VAL 36 -0.531 8.767 -2.633 272 HG12 VAL 36 2HG1 VAL 36 -1.867 7.759 -3.239 273 HG13 VAL 36 3HG1 VAL 36 -1.430 7.716 -1.513 274 HG21 VAL 36 1HG2 VAL 36 -1.198 5.286 -1.616 275 HG22 VAL 36 2HG2 VAL 36 -1.470 5.147 -3.369 276 HG23 VAL 36 3HG2 VAL 36 0.035 4.526 -2.650 277 H VAL 37 H VAL 37 0.358 4.216 -4.501 278 HA VAL 37 HA VAL 37 -1.696 4.440 -6.570 279 HB VAL 37 HB VAL 37 0.849 2.817 -6.762 280 HG11 VAL 37 1HG1 VAL 37 -0.054 1.574 -8.403 281 HG12 VAL 37 2HG1 VAL 37 -1.623 2.106 -7.752 282 HG13 VAL 37 3HG1 VAL 37 -0.891 2.968 -9.127 283 HG21 VAL 37 1HG2 VAL 37 -0.126 5.315 -8.148 284 HG22 VAL 37 2HG2 VAL 37 1.438 5.006 -7.357 285 HG23 VAL 37 3HG2 VAL 37 1.060 4.233 -8.915 286 H VAL 38 H VAL 38 -3.347 3.678 -5.258 287 HA VAL 38 HA VAL 38 -2.866 1.024 -4.087 288 HB VAL 38 HB VAL 38 -4.536 3.357 -3.157 289 HG11 VAL 38 1HG1 VAL 38 -4.773 0.435 -2.486 290 HG12 VAL 38 2HG1 VAL 38 -5.102 1.661 -1.238 291 HG13 VAL 38 3HG1 VAL 38 -6.048 1.649 -2.746 292 HG21 VAL 38 1HG2 VAL 38 -3.229 2.720 -0.990 293 HG22 VAL 38 2HG2 VAL 38 -2.138 1.867 -2.108 294 HG23 VAL 38 3HG2 VAL 38 -2.397 3.619 -2.281 295 H ASP 39 H ASP 39 -3.587 -0.342 -5.691 296 HA ASP 39 HA ASP 39 -6.102 0.353 -6.943 297 HB2 ASP 39 1HB ASP 39 -3.870 -0.537 -8.106 298 HB3 ASP 39 2HB ASP 39 -4.471 -2.107 -7.613 299 H ILE 40 H ILE 40 -7.901 -0.457 -5.847 300 HA ILE 40 HA ILE 40 -7.571 -3.007 -4.440 301 HB ILE 40 HB ILE 40 -9.454 -0.687 -4.055 302 HG12 ILE 40 1HG1 ILE 40 -7.405 -1.972 -2.225 303 HG13 ILE 40 2HG1 ILE 40 -7.188 -0.470 -3.101 304 HG21 ILE 40 1HG2 ILE 40 -9.783 -2.683 -2.033 305 HG22 ILE 40 2HG2 ILE 40 -10.990 -2.002 -3.149 306 HG23 ILE 40 3HG2 ILE 40 -10.042 -3.431 -3.627 307 HD11 ILE 40 1HD1 ILE 40 -7.955 -0.277 -0.646 308 HD12 ILE 40 2HD1 ILE 40 -8.892 0.650 -1.842 309 HD13 ILE 40 3HD1 ILE 40 -9.532 -0.884 -1.205 310 H GLN 41 H GLN 41 -7.869 -4.496 -6.108 311 HA GLN 41 HA GLN 41 -10.235 -4.142 -7.728 312 HB2 GLN 41 1HB GLN 41 -7.683 -5.669 -7.954 313 HB3 GLN 41 2HB GLN 41 -9.090 -6.475 -8.618 314 HG2 GLN 41 1HG GLN 41 -8.262 -3.615 -9.305 315 HG3 GLN 41 2HG GLN 41 -7.885 -5.016 -10.289 316 HE21 GLN 41 1HE2 GLN 41 -9.336 -5.812 -11.666 317 HE22 GLN 41 2HE2 GLN 41 -10.959 -5.243 -11.874 318 H ARG 42 H ARG 42 -11.447 -6.364 -8.220 319 HA ARG 42 HA ARG 42 -12.695 -7.078 -5.896 320 HB2 ARG 42 1HB ARG 42 -13.593 -7.370 -8.240 321 HB3 ARG 42 2HB ARG 42 -12.493 -8.713 -8.476 322 HG2 ARG 42 1HG ARG 42 -14.482 -9.802 -7.831 323 HG3 ARG 42 2HG ARG 42 -13.590 -9.731 -6.324 324 HD2 ARG 42 1HD ARG 42 -15.210 -8.466 -5.354 325 HD3 ARG 42 2HD ARG 42 -15.110 -7.271 -6.633 326 HE ARG 42 HE ARG 42 -16.535 -9.644 -7.519 327 HH11 ARG 42 2HH2 ARG 42 -16.893 -6.675 -5.664 328 HH12 ARG 42 1HH2 ARG 42 -18.604 -6.576 -5.912 329 HH21 ARG 42 2HH1 ARG 42 -18.793 -9.513 -7.846 330 HH22 ARG 42 1HH1 ARG 42 -19.692 -8.201 -7.161 331 H ARG 43 H ARG 43 -10.188 -8.857 -7.834 332 HA ARG 43 HA ARG 43 -9.582 -10.314 -5.396 333 HB2 ARG 43 1HB ARG 43 -10.828 -11.510 -7.551 334 HB3 ARG 43 2HB ARG 43 -9.147 -11.781 -7.966 335 HG2 ARG 43 1HG ARG 43 -8.720 -13.003 -5.948 336 HG3 ARG 43 2HG ARG 43 -10.174 -12.405 -5.174 337 HD2 ARG 43 1HD ARG 43 -11.490 -14.022 -6.125 338 HD3 ARG 43 2HD ARG 43 -10.747 -13.833 -7.700 339 HE ARG 43 HE ARG 43 -8.822 -15.082 -6.032 340 HH11 ARG 43 2HH2 ARG 43 -11.993 -15.801 -7.377 341 HH12 ARG 43 1HH2 ARG 43 -11.734 -17.513 -7.406 342 HH21 ARG 43 2HH1 ARG 43 -8.479 -17.341 -6.069 343 HH22 ARG 43 1HH1 ARG 43 -9.722 -18.395 -6.657 344 H HIS 44 H HIS 44 -8.162 -8.073 -5.907 345 HA HIS 44 HA HIS 44 -5.563 -9.019 -6.286 346 HB2 HIS 44 1HB HIS 44 -6.564 -8.912 -8.697 347 HB3 HIS 44 2HB HIS 44 -6.356 -7.180 -8.533 348 HD1 HIS 44 1HD HIS 44 -3.807 -6.351 -8.048 349 HD2 HIS 44 2HD HIS 44 -4.276 -10.304 -9.370 350 HE1 HIS 44 1HE HIS 44 -1.512 -7.108 -8.866 351 H LEU 45 H LEU 45 -4.113 -7.573 -5.359 352 HA LEU 45 HA LEU 45 -5.183 -4.897 -4.805 353 HB2 LEU 45 1HB LEU 45 -5.449 -6.335 -2.840 354 HB3 LEU 45 2HB LEU 45 -3.737 -6.709 -2.867 355 HG LEU 45 HG LEU 45 -3.167 -4.403 -2.358 356 HD11 LEU 45 1HD1 LEU 45 -5.875 -3.891 -3.236 357 HD12 LEU 45 2HD1 LEU 45 -5.579 -3.179 -1.632 358 HD13 LEU 45 3HD1 LEU 45 -4.518 -2.763 -3.000 359 HD21 LEU 45 1HD2 LEU 45 -4.338 -6.207 -0.624 360 HD22 LEU 45 2HD2 LEU 45 -3.435 -4.742 -0.170 361 HD23 LEU 45 3HD2 LEU 45 -5.210 -4.692 -0.289 362 H ARG 46 H ARG 46 -3.705 -3.200 -4.967 363 HA ARG 46 HA ARG 46 -0.961 -3.947 -5.435 364 HB2 ARG 46 1HB ARG 46 -2.298 -3.770 -7.669 365 HB3 ARG 46 2HB ARG 46 -2.382 -2.048 -7.354 366 HG2 ARG 46 1HG ARG 46 0.175 -2.066 -7.128 367 HG3 ARG 46 2HG ARG 46 0.146 -3.722 -7.700 368 HD2 ARG 46 1HD ARG 46 0.562 -2.044 -9.539 369 HD3 ARG 46 2HD ARG 46 -0.841 -3.053 -9.833 370 HE ARG 46 HE ARG 46 -1.529 -0.595 -8.417 371 HH11 ARG 46 2HH2 ARG 46 -0.910 -1.975 -11.595 372 HH12 ARG 46 1HH2 ARG 46 -1.836 -0.777 -12.436 373 HH21 ARG 46 2HH1 ARG 46 -2.751 0.985 -9.527 374 HH22 ARG 46 1HH1 ARG 46 -2.890 0.918 -11.252 375 H VAL 47 H VAL 47 0.048 -2.742 -3.846 376 HA VAL 47 HA VAL 47 -0.806 0.059 -3.593 377 HB VAL 47 HB VAL 47 0.067 -1.910 -1.475 378 HG11 VAL 47 1HG1 VAL 47 1.148 0.099 -0.858 379 HG12 VAL 47 2HG1 VAL 47 -0.239 1.098 -1.355 380 HG13 VAL 47 3HG1 VAL 47 -0.357 0.068 0.092 381 HG21 VAL 47 1HG2 VAL 47 -2.103 -1.722 -0.579 382 HG22 VAL 47 2HG2 VAL 47 -2.473 -0.272 -1.543 383 HG23 VAL 47 3HG2 VAL 47 -2.355 -1.862 -2.335 384 H GLY 48 H GLY 48 0.885 1.611 -3.212 385 HA2 GLY 48 1HA GLY 48 3.512 1.265 -2.765 386 HA3 GLY 48 2HA GLY 48 3.383 0.840 -4.460 387 H LEU 49 H LEU 49 4.917 3.048 -3.723 388 HA LEU 49 HA LEU 49 3.275 5.406 -3.991 389 HB2 LEU 49 1HB LEU 49 6.220 4.904 -3.619 390 HB3 LEU 49 2HB LEU 49 5.590 6.500 -3.976 391 HG LEU 49 HG LEU 49 4.664 4.858 -1.608 392 HD11 LEU 49 1HD1 LEU 49 6.667 5.179 -0.692 393 HD12 LEU 49 2HD1 LEU 49 7.179 6.272 -2.000 394 HD13 LEU 49 3HD1 LEU 49 6.254 6.909 -0.620 395 HD21 LEU 49 1HD2 LEU 49 4.427 7.813 -2.242 396 HD22 LEU 49 2HD2 LEU 49 3.118 6.609 -2.304 397 HD23 LEU 49 3HD2 LEU 49 3.878 7.017 -0.748 398 H LYS 50 H LYS 50 3.105 6.723 -5.809 399 HA LYS 50 HA LYS 50 3.105 5.594 -8.265 400 HB2 LYS 50 1HB LYS 50 2.584 8.106 -7.177 401 HB3 LYS 50 2HB LYS 50 3.817 8.426 -8.380 402 HG2 LYS 50 1HG LYS 50 2.465 7.785 -10.152 403 HG3 LYS 50 2HG LYS 50 1.642 6.548 -9.224 404 HD2 LYS 50 1HD LYS 50 0.275 8.217 -8.072 405 HD3 LYS 50 2HD LYS 50 1.212 9.533 -8.752 406 HE2 LYS 50 1HE LYS 50 0.356 8.014 -10.994 407 HE3 LYS 50 2HE LYS 50 -1.035 8.067 -9.929 408 HZ1 LYS 50 1HZ LYS 50 0.449 10.330 -11.043 409 HZ2 LYS 50 2HZ LYS 50 -1.138 9.983 -11.205 410 HZ3 LYS 50 3HZ LYS 50 -0.561 10.515 -9.773 411 H GLY 51 H GLY 51 4.583 4.906 -9.727 412 HA2 GLY 51 1HA GLY 51 6.539 4.900 -10.908 413 HA3 GLY 51 2HA GLY 51 7.189 6.156 -9.873 414 H GLN 52 H GLN 52 6.753 4.936 -7.295 415 HA GLN 52 HA GLN 52 9.031 3.316 -7.223 416 HB2 GLN 52 1HB GLN 52 7.085 4.449 -5.300 417 HB3 GLN 52 2HB GLN 52 7.757 2.915 -4.785 418 HG2 GLN 52 1HG GLN 52 10.073 3.995 -5.510 419 HG3 GLN 52 2HG GLN 52 9.204 5.511 -5.372 420 HE21 GLN 52 1HE2 GLN 52 10.391 2.686 -3.712 421 HE22 GLN 52 2HE2 GLN 52 10.239 3.266 -2.087 422 HA PRO 53 HA PRO 53 7.347 -0.681 -7.456 423 HB2 PRO 53 1HB PRO 53 8.667 -2.132 -5.554 424 HB3 PRO 53 2HB PRO 53 9.376 -1.710 -7.100 425 HG2 PRO 53 1HG PRO 53 9.921 -0.555 -4.434 426 HG3 PRO 53 2HG PRO 53 10.891 -0.460 -5.891 427 HD2 PRO 53 1HD PRO 53 9.226 1.605 -4.800 428 HD3 PRO 53 2HD PRO 53 10.104 1.658 -6.316 429 HA PRO 54 HA PRO 54 4.039 -0.987 -4.789 430 HB2 PRO 54 1HB PRO 54 2.716 -3.074 -5.956 431 HB3 PRO 54 2HB PRO 54 2.565 -1.417 -6.505 432 HG2 PRO 54 1HG PRO 54 4.061 -3.649 -7.737 433 HG3 PRO 54 2HG PRO 54 3.550 -2.138 -8.463 434 HD2 PRO 54 1HD PRO 54 6.197 -2.812 -7.588 435 HD3 PRO 54 2HD PRO 54 5.660 -1.262 -8.205 436 H VAL 55 H VAL 55 4.484 -1.512 -2.740 437 HA VAL 55 HA VAL 55 5.954 -3.760 -2.081 438 HB VAL 55 HB VAL 55 3.873 -2.407 -0.361 439 HG11 VAL 55 1HG1 VAL 55 4.657 -4.051 1.004 440 HG12 VAL 55 2HG1 VAL 55 6.194 -4.210 0.121 441 HG13 VAL 55 3HG1 VAL 55 5.962 -2.871 1.271 442 HG21 VAL 55 1HG2 VAL 55 6.532 -1.424 -1.347 443 HG22 VAL 55 2HG2 VAL 55 5.011 -0.537 -1.089 444 HG23 VAL 55 3HG2 VAL 55 6.012 -1.011 0.304 445 H VAL 56 H VAL 56 2.440 -3.293 -2.589 446 HA VAL 56 HA VAL 56 2.109 -6.173 -2.105 447 HB VAL 56 HB VAL 56 0.013 -4.000 -1.971 448 HG11 VAL 56 1HG1 VAL 56 -1.472 -5.653 -1.790 449 HG12 VAL 56 2HG1 VAL 56 -0.171 -6.826 -2.106 450 HG13 VAL 56 3HG1 VAL 56 -0.565 -6.363 -0.433 451 HG21 VAL 56 1HG2 VAL 56 0.236 -3.908 0.369 452 HG22 VAL 56 2HG2 VAL 56 1.244 -5.374 0.422 453 HG23 VAL 56 3HG2 VAL 56 1.909 -3.861 -0.238 454 H ASP 57 H ASP 57 1.471 -7.437 -3.798 455 HA ASP 57 HA ASP 57 -0.075 -6.423 -5.890 456 HB2 ASP 57 1HB ASP 57 1.895 -7.069 -7.609 457 HB3 ASP 57 2HB ASP 57 1.678 -5.433 -7.020 458 H GLY 58 H GLY 58 -1.314 -8.325 -5.922 459 HA2 GLY 58 1HA GLY 58 -0.341 -10.683 -7.062 460 HA3 GLY 58 2HA GLY 58 -0.302 -10.885 -5.322 461 H GLU 59 H GLU 59 -1.973 -12.572 -6.626 462 HA GLU 59 HA GLU 59 -4.566 -11.377 -6.824 463 HB2 GLU 59 1HB GLU 59 -4.012 -13.099 -8.434 464 HB3 GLU 59 2HB GLU 59 -3.537 -14.220 -7.174 465 HG2 GLU 59 1HG GLU 59 -5.797 -14.531 -6.432 466 HG3 GLU 59 2HG GLU 59 -6.362 -13.100 -7.272 467 H LEU 60 H LEU 60 -5.942 -11.124 -5.121 468 HA LEU 60 HA LEU 60 -5.275 -11.959 -2.554 469 HB2 LEU 60 1HB LEU 60 -7.863 -11.015 -3.781 470 HB3 LEU 60 2HB LEU 60 -7.681 -11.343 -2.069 471 HG LEU 60 HG LEU 60 -5.873 -9.395 -3.503 472 HD11 LEU 60 1HD1 LEU 60 -8.693 -9.009 -2.581 473 HD12 LEU 60 2HD1 LEU 60 -7.524 -7.685 -2.362 474 HD13 LEU 60 3HD1 LEU 60 -7.841 -8.331 -3.990 475 HD21 LEU 60 1HD2 LEU 60 -6.661 -9.058 -0.663 476 HD22 LEU 60 2HD2 LEU 60 -5.619 -10.450 -1.041 477 HD23 LEU 60 3HD2 LEU 60 -5.093 -8.804 -1.466 478 H TYR 61 H TYR 61 -6.758 -13.380 -1.139 479 HA TYR 61 HA TYR 61 -6.688 -15.986 -2.208 480 HB2 TYR 61 1HB TYR 61 -6.448 -15.233 0.221 481 HB3 TYR 61 2HB TYR 61 -8.119 -14.706 0.205 482 HD1 TYR 61 2HD TYR 61 -9.857 -16.625 -0.525 483 HD2 TYR 61 1HD TYR 61 -5.973 -17.315 1.131 484 HE1 TYR 61 2HE TYR 61 -10.587 -18.937 0.241 485 HE2 TYR 61 1HE TYR 61 -6.716 -19.624 1.892 486 HH TYR 61 HH TYR 61 -8.471 -20.926 2.233 487 H ASN 62 H ASN 62 -9.275 -13.535 -1.784 488 HA ASN 62 HA ASN 62 -10.893 -15.112 -3.555 489 HB2 ASN 62 1HB ASN 62 -11.342 -15.328 -0.799 490 HB3 ASN 62 2HB ASN 62 -12.470 -14.068 -1.258 491 HD21 ASN 62 1HD2 ASN 62 -14.398 -14.765 -1.720 492 HD22 ASN 62 2HD2 ASN 62 -14.830 -16.265 -2.470 493 H GLU 63 H GLU 63 -13.212 -13.657 -3.634 494 HA GLU 63 HA GLU 63 -12.308 -11.152 -4.583 495 HB2 GLU 63 1HB GLU 63 -15.075 -12.400 -4.329 496 HB3 GLU 63 2HB GLU 63 -14.812 -10.816 -5.031 497 HG2 GLU 63 1HG GLU 63 -13.274 -11.814 -6.728 498 HG3 GLU 63 2HG GLU 63 -13.509 -13.399 -6.017 499 H VAL 64 H VAL 64 -13.111 -9.018 -3.874 500 HA VAL 64 HA VAL 64 -14.245 -8.963 -1.196 501 HB VAL 64 HB VAL 64 -12.489 -7.239 -0.583 502 HG11 VAL 64 1HG1 VAL 64 -12.615 -9.952 -0.170 503 HG12 VAL 64 2HG1 VAL 64 -10.969 -9.751 -0.816 504 HG13 VAL 64 3HG1 VAL 64 -11.475 -8.843 0.628 505 HG21 VAL 64 1HG2 VAL 64 -11.637 -6.977 -2.939 506 HG22 VAL 64 2HG2 VAL 64 -10.376 -7.247 -1.713 507 HG23 VAL 64 3HG2 VAL 64 -10.882 -8.581 -2.778 508 H LYS 65 H LYS 65 -15.702 -7.305 -0.961 509 HA LYS 65 HA LYS 65 -16.600 -5.967 -3.209 510 HB2 LYS 65 1HB LYS 65 -17.667 -6.459 -0.845 511 HB3 LYS 65 2HB LYS 65 -17.056 -4.864 -0.455 512 HG2 LYS 65 1HG LYS 65 -18.645 -3.829 -1.720 513 HG3 LYS 65 2HG LYS 65 -18.366 -4.889 -3.087 514 HD2 LYS 65 1HD LYS 65 -19.801 -6.628 -2.109 515 HD3 LYS 65 2HD LYS 65 -19.963 -5.719 -0.620 516 HE2 LYS 65 1HE LYS 65 -21.215 -3.949 -1.740 517 HE3 LYS 65 2HE LYS 65 -20.863 -4.620 -3.321 518 HZ1 LYS 65 1HZ LYS 65 -22.215 -6.303 -1.378 519 HZ2 LYS 65 2HZ LYS 65 -23.078 -5.141 -2.133 520 HZ3 LYS 65 3HZ LYS 65 -22.334 -6.303 -3.006 521 H VAL 66 H VAL 66 -15.290 -4.683 -4.428 522 HA VAL 66 HA VAL 66 -13.336 -3.012 -3.153 523 HB VAL 66 HB VAL 66 -12.500 -2.675 -5.261 524 HG11 VAL 66 1HG1 VAL 66 -12.432 -4.779 -6.376 525 HG12 VAL 66 2HG1 VAL 66 -12.654 -5.130 -4.645 526 HG13 VAL 66 3HG1 VAL 66 -14.038 -5.238 -5.760 527 HG21 VAL 66 1HG2 VAL 66 -13.815 -2.819 -7.358 528 HG22 VAL 66 2HG2 VAL 66 -15.278 -3.141 -6.397 529 HG23 VAL 66 3HG2 VAL 66 -14.438 -1.579 -6.242 530 H GLU 67 H GLU 67 -16.685 -2.800 -4.143 531 HA GLU 67 HA GLU 67 -16.703 -0.019 -4.555 532 HB2 GLU 67 1HB GLU 67 -18.638 -2.235 -4.498 533 HB3 GLU 67 2HB GLU 67 -19.306 -0.767 -3.813 534 HG2 GLU 67 1HG GLU 67 -17.758 -0.499 -6.380 535 HG3 GLU 67 2HG GLU 67 -19.330 -1.268 -6.473 536 H GLU 68 H GLU 68 -16.666 -2.089 -1.734 537 HA GLU 68 HA GLU 68 -17.501 0.176 -0.101 538 HB2 GLU 68 1HB GLU 68 -17.424 -2.808 0.520 539 HB3 GLU 68 2HB GLU 68 -17.795 -1.579 1.713 540 HG2 GLU 68 1HG GLU 68 -19.437 -1.030 -0.578 541 HG3 GLU 68 2HG GLU 68 -19.545 -2.754 -0.281 542 H SER 69 H SER 69 -14.770 -1.294 -1.343 543 HA SER 69 HA SER 69 -13.208 -1.359 1.019 544 HB2 SER 69 1HB SER 69 -12.485 -1.460 -1.940 545 HB3 SER 69 2HB SER 69 -11.297 -1.610 -0.661 546 HG SER 69 HG SER 69 -13.547 -3.360 -1.165 547 H SER 70 H SER 70 -11.689 0.195 1.761 548 HA SER 70 HA SER 70 -11.373 2.574 0.169 549 HB2 SER 70 1HB SER 70 -11.889 4.013 2.220 550 HB3 SER 70 2HB SER 70 -13.272 3.275 1.436 551 HG SER 70 HG SER 70 -13.275 1.611 3.063 552 H TRP 71 H TRP 71 -9.369 3.624 0.580 553 HA TRP 71 HA TRP 71 -7.754 2.409 2.716 554 HB2 TRP 71 1HB TRP 71 -5.839 2.388 1.299 555 HB3 TRP 71 2HB TRP 71 -7.131 1.500 0.515 556 HD1 TRP 71 HD TRP 71 -8.271 2.724 -1.691 557 HE1 TRP 71 1HE TRP 71 -7.389 4.497 -3.435 558 HE3 TRP 71 3HE TRP 71 -4.388 4.367 1.151 559 HZ2 TRP 71 2HZ TRP 71 -5.215 6.346 -3.431 560 HZ3 TRP 71 3HZ TRP 71 -2.934 6.158 0.207 561 HH2 TRP 71 HH TRP 71 -3.297 7.143 -2.001 562 H LEU 72 H LEU 72 -5.969 3.911 3.446 563 HA LEU 72 HA LEU 72 -6.241 6.670 2.694 564 HB2 LEU 72 1HB LEU 72 -7.247 7.534 4.500 565 HB3 LEU 72 2HB LEU 72 -8.035 5.969 4.509 566 HG LEU 72 HG LEU 72 -5.781 5.519 6.054 567 HD11 LEU 72 1HD1 LEU 72 -6.786 7.939 7.382 568 HD12 LEU 72 2HD1 LEU 72 -5.127 7.315 7.217 569 HD13 LEU 72 3HD1 LEU 72 -5.861 8.252 5.894 570 HD21 LEU 72 1HD2 LEU 72 -7.525 4.561 7.065 571 HD22 LEU 72 2HD2 LEU 72 -7.740 6.119 7.899 572 HD23 LEU 72 3HD2 LEU 72 -8.673 5.762 6.426 573 H ILE 73 H ILE 73 -4.665 8.005 4.242 574 HA ILE 73 HA ILE 73 -2.313 6.289 4.640 575 HB ILE 73 HB ILE 73 -2.368 9.186 3.791 576 HG12 ILE 73 1HG1 ILE 73 -1.721 6.782 2.069 577 HG13 ILE 73 2HG1 ILE 73 -3.298 7.544 2.100 578 HG21 ILE 73 1HG2 ILE 73 -0.044 9.082 3.593 579 HG22 ILE 73 2HG2 ILE 73 -0.381 8.246 5.128 580 HG23 ILE 73 3HG2 ILE 73 -0.018 7.304 3.662 581 HD11 ILE 73 1HD1 ILE 73 -1.011 9.427 1.758 582 HD12 ILE 73 2HD1 ILE 73 -1.277 8.294 0.411 583 HD13 ILE 73 3HD1 ILE 73 -2.585 9.385 0.928 584 H GLU 74 H GLU 74 -2.154 5.913 6.796 585 HA GLU 74 HA GLU 74 -3.181 7.765 8.655 586 HB2 GLU 74 1HB GLU 74 -1.823 5.106 8.730 587 HB3 GLU 74 2HB GLU 74 -1.640 6.086 10.171 588 HG2 GLU 74 1HG GLU 74 -4.405 6.209 9.254 589 HG3 GLU 74 2HG GLU 74 -3.910 4.534 9.399 590 H ASP 75 H ASP 75 -2.136 9.346 9.869 591 HA ASP 75 HA ASP 75 -0.640 10.869 10.284 592 HB2 ASP 75 1HB ASP 75 0.757 8.266 10.656 593 HB3 ASP 75 2HB ASP 75 1.838 9.635 10.489 594 H GLY 76 H GLY 76 -1.058 9.994 7.383 595 HA2 GLY 76 1HA GLY 76 -0.127 10.211 5.333 596 HA3 GLY 76 2HA GLY 76 0.513 11.697 6.006 597 H LYS 77 H LYS 77 1.281 8.217 6.716 598 HA LYS 77 HA LYS 77 3.961 8.684 5.657 599 HB2 LYS 77 1HB LYS 77 4.818 7.432 7.742 600 HB3 LYS 77 2HB LYS 77 4.445 9.138 7.880 601 HG2 LYS 77 1HG LYS 77 2.214 8.601 8.833 602 HG3 LYS 77 2HG LYS 77 2.520 6.888 8.632 603 HD2 LYS 77 1HD LYS 77 4.484 8.556 10.223 604 HD3 LYS 77 2HD LYS 77 2.975 8.071 10.972 605 HE2 LYS 77 1HE LYS 77 3.481 5.677 10.461 606 HE3 LYS 77 2HE LYS 77 4.979 6.153 9.686 607 HZ1 LYS 77 1HZ LYS 77 5.445 7.270 11.920 608 HZ2 LYS 77 2HZ LYS 77 4.283 6.288 12.513 609 HZ3 LYS 77 3HZ LYS 77 5.613 5.649 11.811 610 H VAL 78 H VAL 78 1.545 6.370 7.030 611 HA VAL 78 HA VAL 78 2.627 4.377 5.159 612 HB VAL 78 HB VAL 78 2.443 2.792 6.728 613 HG11 VAL 78 1HG1 VAL 78 3.200 3.498 8.809 614 HG12 VAL 78 2HG1 VAL 78 3.602 4.888 7.772 615 HG13 VAL 78 3HG1 VAL 78 2.161 4.943 8.815 616 HG21 VAL 78 1HG2 VAL 78 -0.059 4.215 7.659 617 HG22 VAL 78 2HG2 VAL 78 0.089 2.633 6.856 618 HG23 VAL 78 3HG2 VAL 78 0.635 2.832 8.538 619 H VAL 79 H VAL 79 1.186 3.288 3.789 620 HA VAL 79 HA VAL 79 -1.386 4.623 3.527 621 HB VAL 79 HB VAL 79 0.432 3.039 1.772 622 HG11 VAL 79 1HG1 VAL 79 -1.409 1.752 1.239 623 HG12 VAL 79 2HG1 VAL 79 -2.565 3.060 1.588 624 HG13 VAL 79 3HG1 VAL 79 -1.598 3.101 0.093 625 HG21 VAL 79 1HG2 VAL 79 0.483 4.919 0.491 626 HG22 VAL 79 2HG2 VAL 79 -1.225 5.313 0.799 627 HG23 VAL 79 3HG2 VAL 79 0.009 5.685 2.026 628 H THR 80 H THR 80 -3.104 3.776 4.576 629 HA THR 80 HA THR 80 -3.033 0.919 5.214 630 HB THR 80 HB THR 80 -5.082 1.787 6.654 631 HG1 THR 80 1HG THR 80 -4.912 3.857 5.306 632 HG21 THR 80 1HG2 THR 80 -2.637 1.316 7.481 633 HG22 THR 80 2HG2 THR 80 -2.407 3.075 7.340 634 HG23 THR 80 3HG2 THR 80 -3.635 2.424 8.452 635 H VAL 81 H VAL 81 -4.402 -0.568 4.372 636 HA VAL 81 HA VAL 81 -6.451 0.493 2.551 637 HB VAL 81 HB VAL 81 -4.631 -1.899 2.220 638 HG11 VAL 81 1HG1 VAL 81 -7.234 -1.220 0.981 639 HG12 VAL 81 2HG1 VAL 81 -5.943 -1.683 -0.153 640 HG13 VAL 81 3HG1 VAL 81 -6.417 -2.791 1.156 641 HG21 VAL 81 1HG2 VAL 81 -3.357 -0.642 0.872 642 HG22 VAL 81 2HG2 VAL 81 -4.771 0.056 0.047 643 HG23 VAL 81 3HG2 VAL 81 -4.192 0.764 1.574 644 H HIS 82 H HIS 82 -8.507 -0.304 2.818 645 HA HIS 82 HA HIS 82 -8.754 -2.487 4.759 646 HB2 HIS 82 1HB HIS 82 -9.452 -0.403 5.771 647 HB3 HIS 82 2HB HIS 82 -10.484 -0.026 4.405 648 HD1 HIS 82 1HD HIS 82 -10.283 -2.255 7.449 649 HD2 HIS 82 2HD HIS 82 -12.987 -1.319 4.381 650 HE1 HIS 82 1HE HIS 82 -12.520 -3.272 8.134 651 H LEU 83 H LEU 83 -9.197 -4.288 3.566 652 HA LEU 83 HA LEU 83 -10.876 -3.985 1.211 653 HB2 LEU 83 1HB LEU 83 -9.389 -6.400 2.250 654 HB3 LEU 83 2HB LEU 83 -10.197 -6.258 0.701 655 HG LEU 83 HG LEU 83 -8.025 -5.916 0.074 656 HD11 LEU 83 1HD1 LEU 83 -8.679 -3.064 0.832 657 HD12 LEU 83 2HD1 LEU 83 -7.717 -3.652 -0.546 658 HD13 LEU 83 3HD1 LEU 83 -9.475 -3.927 -0.505 659 HD21 LEU 83 1HD2 LEU 83 -7.308 -5.931 2.560 660 HD22 LEU 83 2HD2 LEU 83 -6.262 -5.128 1.365 661 HD23 LEU 83 3HD2 LEU 83 -7.324 -4.157 2.413 662 H GLU 84 H GLU 84 -12.977 -4.671 1.079 663 HA GLU 84 HA GLU 84 -14.042 -5.752 3.560 664 HB2 GLU 84 1HB GLU 84 -14.886 -3.620 1.918 665 HB3 GLU 84 2HB GLU 84 -16.034 -4.901 1.581 666 HG2 GLU 84 1HG GLU 84 -15.961 -5.138 4.283 667 HG3 GLU 84 2HG GLU 84 -15.507 -3.449 4.162 668 H LYS 85 H LYS 85 -14.026 -7.974 3.480 669 HA LYS 85 HA LYS 85 -13.985 -9.508 1.212 670 HB2 LYS 85 1HB LYS 85 -14.948 -10.075 4.021 671 HB3 LYS 85 2HB LYS 85 -14.915 -11.313 2.782 672 HG2 LYS 85 1HG LYS 85 -12.509 -11.064 2.480 673 HG3 LYS 85 2HG LYS 85 -12.472 -9.622 3.474 674 HD2 LYS 85 1HD LYS 85 -13.099 -10.923 5.473 675 HD3 LYS 85 2HD LYS 85 -13.310 -12.371 4.508 676 HE2 LYS 85 1HE LYS 85 -10.883 -12.297 3.876 677 HE3 LYS 85 2HE LYS 85 -10.676 -10.858 4.855 678 HZ1 LYS 85 1HZ LYS 85 -11.091 -12.055 6.781 679 HZ2 LYS 85 2HZ LYS 85 -11.755 -13.326 5.999 680 HZ3 LYS 85 3HZ LYS 85 -10.146 -13.061 5.908 681 H ILE 86 H ILE 86 -15.649 -10.885 0.206 682 HA ILE 86 HA ILE 86 -17.984 -9.335 -0.331 683 HB ILE 86 HB ILE 86 -16.956 -12.001 -1.281 684 HG12 ILE 86 1HG1 ILE 86 -15.791 -9.926 -2.025 685 HG13 ILE 86 2HG1 ILE 86 -16.487 -10.867 -3.330 686 HG21 ILE 86 1HG2 ILE 86 -19.262 -12.346 -1.418 687 HG22 ILE 86 2HG2 ILE 86 -19.590 -10.651 -1.851 688 HG23 ILE 86 3HG2 ILE 86 -18.821 -11.739 -3.032 689 HD11 ILE 86 1HD1 ILE 86 -17.055 -8.571 -3.775 690 HD12 ILE 86 2HD1 ILE 86 -18.548 -9.343 -3.190 691 HD13 ILE 86 3HD1 ILE 86 -17.594 -8.309 -2.099 692 H ASN 87 H ASN 87 -17.539 -12.748 0.851 693 HA ASN 87 HA ASN 87 -20.182 -12.600 1.958 694 HB2 ASN 87 1HB ASN 87 -18.094 -14.842 1.914 695 HB3 ASN 87 2HB ASN 87 -19.709 -15.028 2.569 696 HD21 ASN 87 1HD2 ASN 87 -18.878 -16.657 0.588 697 HD22 ASN 87 2HD2 ASN 87 -19.694 -16.323 -0.902 698 H LYS 88 H LYS 88 -16.893 -12.015 2.864 699 HA LYS 88 HA LYS 88 -15.802 -11.830 4.790 700 HB2 LYS 88 1HB LYS 88 -16.952 -10.489 6.499 701 HB3 LYS 88 2HB LYS 88 -17.199 -9.855 4.885 702 HG2 LYS 88 1HG LYS 88 -19.438 -10.841 4.763 703 HG3 LYS 88 2HG LYS 88 -19.190 -11.714 6.262 704 HD2 LYS 88 1HD LYS 88 -18.666 -8.892 6.717 705 HD3 LYS 88 2HD LYS 88 -20.220 -9.062 5.926 706 HE2 LYS 88 1HE LYS 88 -19.662 -10.984 8.162 707 HE3 LYS 88 2HE LYS 88 -19.883 -9.308 8.623 708 HZ1 LYS 88 1HZ LYS 88 -21.788 -10.409 6.750 709 HZ2 LYS 88 2HZ LYS 88 -21.886 -10.933 8.294 710 HZ3 LYS 88 3HZ LYS 88 -22.020 -9.339 7.961 711 H MET 89 H MET 89 -17.166 -14.452 4.211 712 HA MET 89 HA MET 89 -17.247 -15.349 6.987 713 HB2 MET 89 1HB MET 89 -18.919 -16.236 4.576 714 HB3 MET 89 2HB MET 89 -18.846 -17.170 6.057 715 HG2 MET 89 1HG MET 89 -19.422 -14.297 6.524 716 HG3 MET 89 2HG MET 89 -20.637 -15.090 5.542 717 HE1 MET 89 1HE MET 89 -22.814 -15.426 7.624 718 HE2 MET 89 2HE MET 89 -22.273 -16.228 6.130 719 HE3 MET 89 3HE MET 89 -22.599 -17.192 7.590 720 H GLU 90 H GLU 90 -14.808 -15.249 5.727 721 HA GLU 90 HA GLU 90 -14.212 -18.033 5.555 722 HB2 GLU 90 1HB GLU 90 -14.626 -17.857 3.241 723 HB3 GLU 90 2HB GLU 90 -14.023 -16.214 3.149 724 HG2 GLU 90 1HG GLU 90 -11.717 -16.953 3.402 725 HG3 GLU 90 2HG GLU 90 -12.218 -18.580 3.818 726 H TRP 91 H TRP 91 -11.995 -18.469 6.054 727 HA TRP 91 HA TRP 91 -10.599 -16.122 7.094 728 HB2 TRP 91 1HB TRP 91 -10.868 -17.715 8.773 729 HB3 TRP 91 2HB TRP 91 -10.518 -19.060 7.705 730 HD1 TRP 91 HD TRP 91 -7.974 -19.820 7.555 731 HE1 TRP 91 1HE TRP 91 -5.683 -19.107 8.654 732 HE3 TRP 91 3HE TRP 91 -9.698 -15.496 9.599 733 HZ2 TRP 91 2HZ TRP 91 -4.867 -16.865 10.219 734 HZ3 TRP 91 3HZ TRP 91 -8.090 -14.103 10.898 735 HH2 TRP 91 HH TRP 91 -5.748 -14.726 11.222 736 H TRP 92 H TRP 92 -8.577 -15.507 6.286 737 HA TRP 92 HA TRP 92 -7.786 -16.882 3.828 738 HB2 TRP 92 1HB TRP 92 -7.147 -14.132 4.905 739 HB3 TRP 92 2HB TRP 92 -6.434 -14.811 3.456 740 HD1 TRP 92 HD TRP 92 -10.153 -15.514 4.019 741 HE1 TRP 92 1HE TRP 92 -11.664 -14.209 2.294 742 HE3 TRP 92 3HE TRP 92 -6.413 -12.640 2.119 743 HZ2 TRP 92 2HZ TRP 92 -11.137 -12.166 0.371 744 HZ3 TRP 92 3HZ TRP 92 -6.996 -11.016 0.321 745 HH2 TRP 92 HH TRP 92 -9.264 -10.754 -0.553 746 H ASN 93 H ASN 93 -5.651 -17.699 3.584 747 HA ASN 93 HA ASN 93 -4.262 -17.953 6.128 748 HB2 ASN 93 1HB ASN 93 -4.768 -19.770 3.835 749 HB3 ASN 93 2HB ASN 93 -3.086 -19.766 4.329 750 HD21 ASN 93 1HD2 ASN 93 -3.879 -22.049 4.754 751 HD22 ASN 93 2HD2 ASN 93 -4.431 -22.411 6.355 752 H ARG 94 H ARG 94 -4.288 -16.119 3.345 753 HA ARG 94 HA ARG 94 -1.660 -15.253 3.720 754 HB2 ARG 94 1HB ARG 94 -1.187 -15.789 1.095 755 HB3 ARG 94 2HB ARG 94 -0.673 -16.863 2.382 756 HG2 ARG 94 1HG ARG 94 -1.809 -18.370 1.007 757 HG3 ARG 94 2HG ARG 94 -3.096 -17.915 2.106 758 HD2 ARG 94 1HD ARG 94 -4.225 -16.663 0.499 759 HD3 ARG 94 2HD ARG 94 -2.754 -16.178 -0.320 760 HE ARG 94 HE ARG 94 -3.030 -17.999 -1.743 761 HH11 ARG 94 2HH2 ARG 94 -4.645 -18.715 1.301 762 HH12 ARG 94 1HH2 ARG 94 -5.262 -20.241 0.761 763 HH21 ARG 94 2HH1 ARG 94 -3.844 -20.012 -2.455 764 HH22 ARG 94 1HH1 ARG 94 -4.803 -20.984 -1.389 765 H LEU 95 H LEU 95 -1.667 -13.083 3.149 766 HA LEU 95 HA LEU 95 -3.877 -11.755 2.364 767 HB2 LEU 95 1HB LEU 95 -1.735 -10.836 3.263 768 HB3 LEU 95 2HB LEU 95 -1.047 -10.974 1.657 769 HG LEU 95 HG LEU 95 -1.785 -8.685 2.206 770 HD11 LEU 95 1HD1 LEU 95 -1.735 -9.625 -0.146 771 HD12 LEU 95 2HD1 LEU 95 -3.503 -9.795 -0.020 772 HD13 LEU 95 3HD1 LEU 95 -2.752 -8.186 0.107 773 HD21 LEU 95 1HD2 LEU 95 -4.660 -9.360 1.908 774 HD22 LEU 95 2HD2 LEU 95 -3.898 -9.772 3.463 775 HD23 LEU 95 3HD2 LEU 95 -3.864 -8.093 2.872 776 H VAL 96 H VAL 96 -1.208 -12.857 0.159 777 HA VAL 96 HA VAL 96 -3.220 -12.892 -1.977 778 HB VAL 96 HB VAL 96 -1.251 -12.222 -3.475 779 HG11 VAL 96 1HG1 VAL 96 -1.675 -9.742 -2.137 780 HG12 VAL 96 2HG1 VAL 96 -2.476 -10.364 -3.600 781 HG13 VAL 96 3HG1 VAL 96 -3.171 -10.696 -1.995 782 HG21 VAL 96 1HG2 VAL 96 -0.135 -10.761 -1.119 783 HG22 VAL 96 2HG2 VAL 96 0.298 -12.477 -1.315 784 HG23 VAL 96 3HG2 VAL 96 0.663 -11.313 -2.612 785 H THR 97 H THR 97 -2.817 -14.501 -3.651 786 HA THR 97 HA THR 97 -1.666 -16.880 -2.533 787 HB THR 97 HB THR 97 -2.532 -17.836 -4.710 788 HG1 THR 97 1HG THR 97 -2.122 -15.899 -5.983 789 HG21 THR 97 1HG2 THR 97 -4.828 -16.108 -4.173 790 HG22 THR 97 2HG2 THR 97 -4.645 -17.847 -3.838 791 HG23 THR 97 3HG2 THR 97 -4.098 -16.648 -2.642 792 H SER 98 H SER 98 -0.651 -14.328 -4.764 793 HA SER 98 HA SER 98 1.817 -15.846 -5.099 794 HB2 SER 98 1HB SER 98 0.187 -14.279 -7.090 795 HB3 SER 98 2HB SER 98 1.931 -14.264 -7.268 796 HG SER 98 HG SER 98 1.753 -16.179 -8.188 797 H ASP 99 H ASP 99 2.706 -14.783 -3.201 798 HA ASP 99 HA ASP 99 2.614 -12.036 -2.862 799 HB2 ASP 99 1HB ASP 99 4.491 -12.414 -1.253 800 HB3 ASP 99 2HB ASP 99 3.177 -13.551 -1.026 801 HA PRO 100 HA PRO 100 5.756 -10.871 -5.705 802 HB2 PRO 100 1HB PRO 100 6.243 -8.318 -4.861 803 HB3 PRO 100 2HB PRO 100 4.898 -8.743 -5.900 804 HG2 PRO 100 1HG PRO 100 4.876 -8.080 -3.020 805 HG3 PRO 100 2HG PRO 100 3.541 -8.088 -4.154 806 HD2 PRO 100 1HD PRO 100 4.119 -10.076 -2.169 807 HD3 PRO 100 2HD PRO 100 2.853 -10.141 -3.380 808 H GLU 101 H GLU 101 6.566 -9.597 -2.503 809 HA GLU 101 HA GLU 101 9.190 -9.478 -2.711 810 HB2 GLU 101 1HB GLU 101 9.330 -9.940 -0.296 811 HB3 GLU 101 2HB GLU 101 7.917 -8.966 -0.650 812 HG2 GLU 101 1HG GLU 101 6.568 -11.158 -0.736 813 HG3 GLU 101 2HG GLU 101 7.988 -11.965 -0.101 814 H ILE 102 H ILE 102 7.357 -12.524 -1.982 815 HA ILE 102 HA ILE 102 7.880 -14.652 -2.245 816 HB ILE 102 HB ILE 102 9.884 -13.515 -4.190 817 HG12 ILE 102 1HG1 ILE 102 7.361 -15.014 -4.861 818 HG13 ILE 102 2HG1 ILE 102 7.299 -13.305 -4.481 819 HG21 ILE 102 1HG2 ILE 102 9.141 -16.406 -3.675 820 HG22 ILE 102 2HG2 ILE 102 10.011 -15.824 -5.115 821 HG23 ILE 102 3HG2 ILE 102 10.743 -15.649 -3.502 822 HD11 ILE 102 1HD1 ILE 102 7.626 -14.022 -6.978 823 HD12 ILE 102 2HD1 ILE 102 8.632 -12.699 -6.340 824 HD13 ILE 102 3HD1 ILE 102 9.312 -14.336 -6.501 825 H ASN 103 H ASN 103 9.653 -16.347 -1.805 826 HA ASN 103 HA ASN 103 10.712 -15.920 0.618 827 HB2 ASN 103 1HB ASN 103 10.807 -17.963 -1.343 828 HB3 ASN 103 2HB ASN 103 12.493 -17.617 -1.015 829 HD21 ASN 103 1HD2 ASN 103 10.659 -19.893 -0.360 830 HD22 ASN 103 2HD2 ASN 103 10.824 -20.164 1.343 831 H THR 104 H THR 104 12.476 -15.775 -2.576 832 HA THR 104 HA THR 104 14.845 -14.710 -1.403 833 HB THR 104 HB THR 104 15.641 -14.773 -3.679 834 HG1 THR 104 1HG THR 104 12.752 -14.648 -4.163 835 HG21 THR 104 1HG2 THR 104 15.224 -16.977 -4.267 836 HG22 THR 104 2HG2 THR 104 14.445 -17.031 -2.667 837 HG23 THR 104 3HG2 THR 104 13.460 -16.779 -4.128 838 H LYS 105 H LYS 105 15.394 -12.679 -0.903 839 HA LYS 105 HA LYS 105 14.197 -10.495 -2.334 840 HB2 LYS 105 1HB LYS 105 13.156 -11.335 0.277 841 HB3 LYS 105 2HB LYS 105 13.684 -9.664 0.259 842 HG2 LYS 105 1HG LYS 105 12.129 -10.507 -2.145 843 HG3 LYS 105 2HG LYS 105 11.226 -10.529 -0.642 844 HD2 LYS 105 1HD LYS 105 10.918 -8.296 -0.975 845 HD3 LYS 105 2HD LYS 105 12.579 -8.110 -0.445 846 HE2 LYS 105 1HE LYS 105 13.245 -7.459 -2.519 847 HE3 LYS 105 2HE LYS 105 12.536 -8.882 -3.257 848 HZ1 LYS 105 1HZ LYS 105 11.523 -6.840 -4.026 849 HZ2 LYS 105 2HZ LYS 105 10.421 -7.777 -3.268 850 HZ3 LYS 105 3HZ LYS 105 11.036 -6.466 -2.513 851 H LYS 106 H LYS 106 15.005 -8.350 -0.924 852 HA LYS 106 HA LYS 106 17.715 -8.268 -1.328 853 HB2 LYS 106 1HB LYS 106 16.002 -6.374 -1.028 854 HB3 LYS 106 2HB LYS 106 16.274 -6.547 0.694 855 HG2 LYS 106 1HG LYS 106 18.504 -5.820 0.565 856 HG3 LYS 106 2HG LYS 106 18.690 -6.332 -1.101 857 HD2 LYS 106 1HD LYS 106 17.747 -4.390 -1.959 858 HD3 LYS 106 2HD LYS 106 16.651 -4.190 -0.607 859 HE2 LYS 106 1HE LYS 106 18.216 -3.048 0.686 860 HE3 LYS 106 2HE LYS 106 19.579 -3.909 0.000 861 HZ1 LYS 106 1HZ LYS 106 18.323 -2.422 -2.001 862 HZ2 LYS 106 2HZ LYS 106 18.629 -1.439 -0.734 863 HZ3 LYS 106 3HZ LYS 106 19.845 -2.278 -1.429 864 H ILE 107 H ILE 107 19.045 -9.823 -0.471 865 HA ILE 107 HA ILE 107 18.878 -11.250 1.738 866 HB ILE 107 HB ILE 107 21.526 -10.603 1.839 867 HG12 ILE 107 1HG1 ILE 107 21.037 -10.381 -1.087 868 HG13 ILE 107 2HG1 ILE 107 20.737 -8.941 -0.134 869 HG21 ILE 107 1HG2 ILE 107 20.390 -12.404 -0.298 870 HG22 ILE 107 2HG2 ILE 107 21.884 -12.594 0.651 871 HG23 ILE 107 3HG2 ILE 107 20.299 -12.809 1.433 872 HD11 ILE 107 1HD1 ILE 107 23.322 -10.471 -0.493 873 HD12 ILE 107 2HD1 ILE 107 23.021 -8.723 -0.644 874 HD13 ILE 107 3HD1 ILE 107 23.078 -9.481 0.966 875 H ASN 108 H ASN 108 21.006 -8.341 2.003 876 HA ASN 108 HA ASN 108 19.665 -7.816 4.536 877 HB2 ASN 108 1HB ASN 108 21.988 -8.885 4.774 878 HB3 ASN 108 2HB ASN 108 22.659 -7.468 3.991 879 HD21 ASN 108 1HD2 ASN 108 22.485 -5.423 4.984 880 HD22 ASN 108 2HD2 ASN 108 22.284 -5.250 6.696 881 HA PRO 109 HA PRO 109 19.519 -3.791 2.770 882 HB2 PRO 109 1HB PRO 109 18.632 -2.373 4.931 883 HB3 PRO 109 2HB PRO 109 17.567 -3.290 3.884 884 HG2 PRO 109 1HG PRO 109 18.507 -3.950 6.608 885 HG3 PRO 109 2HG PRO 109 17.143 -4.610 5.727 886 HD2 PRO 109 1HD PRO 109 19.683 -5.872 6.155 887 HD3 PRO 109 2HD PRO 109 18.362 -6.481 5.178 888 H GLU 110 H GLU 110 20.926 -3.864 6.011 889 HA GLU 110 HA GLU 110 22.808 -3.068 6.756 890 HB2 GLU 110 1HB GLU 110 23.645 -3.930 4.407 891 HB3 GLU 110 2HB GLU 110 23.751 -2.228 4.004 892 HG2 GLU 110 1HG GLU 110 25.430 -1.805 5.605 893 HG3 GLU 110 2HG GLU 110 24.972 -3.170 6.604 894 H ASN 111 H ASN 111 22.465 -1.252 7.964 895 HA ASN 111 HA ASN 111 22.908 1.255 6.868 896 HB2 ASN 111 1HB ASN 111 20.359 0.495 6.232 897 HB3 ASN 111 2HB ASN 111 20.055 1.147 7.830 898 HD21 ASN 111 1HD2 ASN 111 19.460 2.018 4.996 899 HD22 ASN 111 2HD2 ASN 111 19.960 3.674 4.904 900 H SER 112 H SER 112 22.124 3.013 8.668 901 HA SER 112 HA SER 112 22.515 1.699 11.242 902 HB2 SER 112 1HB SER 112 23.953 3.818 9.982 903 HB3 SER 112 2HB SER 112 23.065 4.554 11.302 904 HG SER 112 HG SER 112 24.779 3.848 12.421 905 H LYS 113 H LYS 113 20.300 1.398 11.783 906 HA LYS 113 HA LYS 113 18.752 3.889 11.977 907 HB2 LYS 113 1HB LYS 113 17.811 1.048 11.493 908 HB3 LYS 113 2HB LYS 113 16.743 2.389 11.852 909 HG2 LYS 113 1HG LYS 113 18.125 3.543 9.835 910 HG3 LYS 113 2HG LYS 113 18.379 1.871 9.377 911 HD2 LYS 113 1HD LYS 113 16.376 2.457 8.250 912 HD3 LYS 113 2HD LYS 113 15.812 1.569 9.652 913 HE2 LYS 113 1HE LYS 113 16.094 4.350 10.403 914 HE3 LYS 113 2HE LYS 113 15.196 4.281 8.899 915 HZ1 LYS 113 1HZ LYS 113 13.488 3.300 9.906 916 HZ2 LYS 113 2HZ LYS 113 14.409 2.330 10.842 917 HZ3 LYS 113 3HZ LYS 113 14.132 3.875 11.292 918 H LEU 114 H LEU 114 16.905 3.495 13.777 919 HA LEU 114 HA LEU 114 18.081 2.098 16.047 920 HB2 LEU 114 1HB LEU 114 18.950 4.043 16.734 921 HB3 LEU 114 2HB LEU 114 17.895 5.011 15.724 922 HG LEU 114 HG LEU 114 16.041 4.489 17.419 923 HD11 LEU 114 1HD1 LEU 114 18.422 3.727 19.133 924 HD12 LEU 114 2HD1 LEU 114 16.735 3.902 19.675 925 HD13 LEU 114 3HD1 LEU 114 17.173 2.611 18.530 926 HD21 LEU 114 1HD2 LEU 114 17.869 6.093 18.992 927 HD22 LEU 114 2HD2 LEU 114 17.962 6.515 17.265 928 HD23 LEU 114 3HD2 LEU 114 16.397 6.569 18.111 929 H SER 115 H SER 115 16.526 0.652 16.557 930 HA SER 115 HA SER 115 13.792 1.669 16.499 931 HB2 SER 115 1HB SER 115 14.961 -0.978 15.652 932 HB3 SER 115 2HB SER 115 13.335 -0.964 16.305 933 HG SER 115 HG SER 115 14.327 0.134 13.879 934 H ASP 116 H ASP 116 13.923 2.357 18.732 935 HA ASP 116 HA ASP 116 13.953 0.085 20.552 936 HB2 ASP 116 1HB ASP 116 15.723 2.380 20.510 937 HB3 ASP 116 2HB ASP 116 14.733 2.478 21.953 938 H LEU 117 H LEU 117 11.599 0.096 20.558 939 HA LEU 117 HA LEU 117 10.417 2.560 21.639 940 HB2 LEU 117 1HB LEU 117 8.527 2.231 20.398 941 HB3 LEU 117 2HB LEU 117 9.786 1.718 19.292 942 HG LEU 117 HG LEU 117 9.245 -0.676 20.301 943 HD11 LEU 117 1HD1 LEU 117 7.434 -0.878 21.563 944 HD12 LEU 117 2HD1 LEU 117 7.289 0.896 21.584 945 HD13 LEU 117 3HD1 LEU 117 6.436 -0.052 20.342 946 HD21 LEU 117 1HD2 LEU 117 9.014 0.237 17.921 947 HD22 LEU 117 2HD2 LEU 117 7.989 -1.144 18.380 948 HD23 LEU 117 3HD2 LEU 117 7.298 0.495 18.318 949 H ASP 118 H ASP 118 8.664 2.267 23.224 950 HA ASP 118 HA ASP 118 8.396 -0.330 24.356 951 HB2 ASP 118 1HB ASP 118 10.527 1.058 25.326 952 HB3 ASP 118 2HB ASP 118 9.277 1.751 26.339 953 H SER 119 H SER 119 6.601 -0.324 25.987 954 HA SER 119 HA SER 119 5.373 2.028 26.793 955 HB2 SER 119 1HB SER 119 4.810 1.991 24.269 956 HB3 SER 119 2HB SER 119 3.793 0.607 24.616 957 HG SER 119 HG SER 119 3.549 3.243 25.796 958 H GLU 120 H GLU 120 4.434 1.395 28.701 959 HA GLU 120 HA GLU 120 2.688 -0.797 28.787 960 HB2 GLU 120 1HB GLU 120 5.524 -1.270 29.506 961 HB3 GLU 120 2HB GLU 120 4.395 -1.761 30.753 962 HG2 GLU 120 1HG GLU 120 3.114 -2.774 28.556 963 HG3 GLU 120 2HG GLU 120 4.771 -2.857 27.991 964 H THR 121 H THR 121 1.181 -0.264 30.316 965 HA THR 121 HA THR 121 2.080 1.159 32.703 966 HB THR 121 HB THR 121 1.415 2.833 30.883 967 HG1 THR 121 1HG THR 121 0.882 3.837 32.779 968 HG21 THR 121 1HG2 THR 121 -0.803 2.980 30.121 969 HG22 THR 121 2HG2 THR 121 -0.621 1.211 30.201 970 HG23 THR 121 3HG2 THR 121 -1.445 2.082 31.517 971 H ARG 122 H ARG 122 0.229 1.335 34.334 972 HA ARG 122 HA ARG 122 -1.721 -0.738 33.954 973 HB2 ARG 122 1HB ARG 122 0.685 -1.153 35.509 974 HB3 ARG 122 2HB ARG 122 -0.668 -1.097 36.622 975 HG2 ARG 122 1HG ARG 122 -1.311 -2.675 34.222 976 HG3 ARG 122 2HG ARG 122 0.112 -3.296 35.036 977 HD2 ARG 122 1HD ARG 122 -1.465 -2.907 37.218 978 HD3 ARG 122 2HD ARG 122 -2.726 -3.136 36.022 979 HE ARG 122 HE ARG 122 -0.690 -5.170 35.732 980 HH11 ARG 122 2HH2 ARG 122 -3.413 -4.238 37.757 981 HH12 ARG 122 1HH2 ARG 122 -3.751 -5.857 38.269 982 HH21 ARG 122 2HH1 ARG 122 -1.135 -7.307 36.408 983 HH22 ARG 122 1HH1 ARG 122 -2.446 -7.615 37.497 984 H SER 123 H SER 123 -3.153 -0.816 36.145 985 HA SER 123 HA SER 123 -3.137 1.706 37.503 986 HB2 SER 123 1HB SER 123 -4.513 1.949 35.317 987 HB3 SER 123 2HB SER 123 -5.680 0.872 36.058 988 HG SER 123 HG SER 123 -5.809 3.390 36.325 989 H MET 124 H MET 124 -5.210 1.683 39.103 990 HA MET 124 HA MET 124 -6.371 -0.727 39.747 991 HB2 MET 124 1HB MET 124 -3.814 -1.102 40.333 992 HB3 MET 124 2HB MET 124 -4.125 -0.053 41.702 993 HG2 MET 124 1HG MET 124 -4.684 -2.032 42.742 994 HG3 MET 124 2HG MET 124 -6.240 -1.750 41.986 995 HE1 MET 124 1HE MET 124 -5.313 -5.623 41.712 996 HE2 MET 124 2HE MET 124 -4.181 -4.666 42.699 997 HE3 MET 124 3HE MET 124 -5.932 -4.368 42.813 998 H VAL 125 H VAL 125 -8.238 0.102 40.575 999 HA VAL 125 HA VAL 125 -7.991 2.016 42.761 1000 HB VAL 125 HB VAL 125 -8.260 3.406 40.826 1001 HG11 VAL 125 1HG1 VAL 125 -10.905 2.507 39.964 1002 HG12 VAL 125 2HG1 VAL 125 -9.454 2.882 39.004 1003 HG13 VAL 125 3HG1 VAL 125 -9.651 1.267 39.725 1004 HG21 VAL 125 1HG2 VAL 125 -9.433 4.420 42.528 1005 HG22 VAL 125 2HG2 VAL 125 -10.727 4.233 41.320 1006 HG23 VAL 125 3HG2 VAL 125 -10.599 3.084 42.673 1007 H SER 126 H SER 126 -8.755 0.681 44.358 1008 HA SER 126 HA SER 126 -11.405 -0.413 43.849 1009 HB2 SER 126 1HB SER 126 -9.345 -2.080 43.933 1010 HB3 SER 126 2HB SER 126 -9.450 -1.836 45.666 1011 HG SER 126 HG SER 126 -11.627 -2.600 45.637 1012 H GLY 127 H GLY 127 -12.832 -0.438 45.717 1013 HA2 GLY 127 1HA GLY 127 -11.929 0.447 48.281 1014 HA3 GLY 127 2HA GLY 127 -12.713 1.736 47.391 1015 HA PRO 128 HA PRO 128 -15.823 -1.734 48.404 1016 HB2 PRO 128 1HB PRO 128 -15.315 -3.149 50.687 1017 HB3 PRO 128 2HB PRO 128 -14.933 -3.746 49.084 1018 HG2 PRO 128 1HG PRO 128 -13.106 -2.673 51.146 1019 HG3 PRO 128 2HG PRO 128 -12.724 -3.649 49.742 1020 HD2 PRO 128 1HD PRO 128 -12.311 -0.826 50.033 1021 HD3 PRO 128 2HD PRO 128 -12.037 -1.782 48.590 1022 H SER 129 H SER 129 -17.328 -2.217 50.528 1023 HA SER 129 HA SER 129 -17.142 -0.214 52.452 1024 HB2 SER 129 1HB SER 129 -18.902 1.303 51.816 1025 HB3 SER 129 2HB SER 129 -17.804 1.197 50.454 1026 HG SER 129 HG SER 129 -20.141 1.036 49.922 1027 H SER 130 H SER 130 -19.382 -0.099 53.719 1028 HA SER 130 HA SER 130 -21.289 -2.038 53.267 1029 HB2 SER 130 1HB SER 130 -19.369 -3.588 53.820 1030 HB3 SER 130 2HB SER 130 -19.277 -2.855 55.409 1031 HG SER 130 HG SER 130 -20.550 -4.758 55.529 1032 H GLY 131 H GLY 131 -22.646 -2.387 55.431 1033 HA2 GLY 131 1HA GLY 131 -23.951 -1.269 56.903 1034 HA3 GLY 131 2HA GLY 131 -22.427 -0.989 57.722 Start of MODEL 3 1 H1 GLY 1 H GLY 1 21.880 -18.268 -9.319 2 HA2 GLY 1 1HA GLY 1 20.649 -16.198 -7.809 3 HA3 GLY 1 2HA GLY 1 19.890 -17.633 -8.468 4 H SER 2 H SER 2 20.707 -16.034 -5.611 5 HA SER 2 HA SER 2 21.448 -18.194 -4.006 6 HB2 SER 2 1HB SER 2 20.283 -15.447 -3.454 7 HB3 SER 2 2HB SER 2 20.544 -16.581 -2.144 8 HG SER 2 HG SER 2 22.541 -15.806 -2.142 9 H SER 3 H SER 3 20.156 -19.391 -2.432 10 HA SER 3 HA SER 3 17.296 -19.230 -2.942 11 HB2 SER 3 1HB SER 3 17.251 -21.771 -2.719 12 HB3 SER 3 2HB SER 3 17.965 -21.156 -4.196 13 HG SER 3 HG SER 3 19.508 -22.568 -3.577 14 H GLY 4 H GLY 4 16.212 -18.866 -1.042 15 HA2 GLY 4 1HA GLY 4 17.131 -20.179 1.396 16 HA3 GLY 4 2HA GLY 4 17.167 -18.427 1.386 17 H SER 5 H SER 5 15.502 -18.088 2.907 18 HA SER 5 HA SER 5 12.946 -19.288 2.263 19 HB2 SER 5 1HB SER 5 13.855 -17.734 4.726 20 HB3 SER 5 2HB SER 5 12.274 -18.463 4.533 21 HG SER 5 HG SER 5 13.409 -20.014 5.626 22 H SER 6 H SER 6 11.153 -17.425 3.327 23 HA SER 6 HA SER 6 11.787 -14.926 2.013 24 HB2 SER 6 1HB SER 6 9.373 -14.986 1.048 25 HB3 SER 6 2HB SER 6 10.611 -15.916 0.227 26 HG SER 6 HG SER 6 8.696 -17.184 0.519 27 H GLY 7 H GLY 7 9.903 -13.264 2.523 28 HA2 GLY 7 1HA GLY 7 8.241 -13.783 4.774 29 HA3 GLY 7 2HA GLY 7 9.695 -12.932 5.255 30 HA PRO 8 HA PRO 8 6.597 -10.124 3.111 31 HB2 PRO 8 1HB PRO 8 4.755 -9.501 5.032 32 HB3 PRO 8 2HB PRO 8 4.470 -10.695 3.781 33 HG2 PRO 8 1HG PRO 8 5.076 -11.118 6.643 34 HG3 PRO 8 2HG PRO 8 4.380 -12.240 5.491 35 HD2 PRO 8 1HD PRO 8 7.082 -12.223 6.454 36 HD3 PRO 8 2HD PRO 8 6.417 -13.271 5.216 37 H ASN 9 H ASN 9 5.591 -7.858 4.357 38 HA ASN 9 HA ASN 9 7.728 -6.972 6.049 39 HB2 ASN 9 1HB ASN 9 8.113 -6.555 3.371 40 HB3 ASN 9 2HB ASN 9 7.144 -5.140 3.732 41 HD21 ASN 9 1HD2 ASN 9 10.185 -6.207 3.440 42 HD22 ASN 9 2HD2 ASN 9 11.045 -5.146 4.505 43 H TYR 10 H TYR 10 4.833 -6.147 4.018 44 HA TYR 10 HA TYR 10 4.049 -3.987 5.723 45 HB2 TYR 10 1HB TYR 10 1.996 -4.198 4.167 46 HB3 TYR 10 2HB TYR 10 3.516 -4.014 3.314 47 HD1 TYR 10 1HD TYR 10 0.962 -6.503 4.365 48 HD2 TYR 10 2HD TYR 10 4.310 -5.698 1.825 49 HE1 TYR 10 1HE TYR 10 0.501 -8.640 3.067 50 HE2 TYR 10 2HE TYR 10 3.837 -7.838 0.537 51 HH TYR 10 HH TYR 10 1.935 -9.279 0.081 52 H ARG 11 H ARG 11 1.931 -3.899 6.852 53 HA ARG 11 HA ARG 11 1.475 -6.457 8.127 54 HB2 ARG 11 1HB ARG 11 0.534 -3.669 8.970 55 HB3 ARG 11 2HB ARG 11 0.393 -5.128 9.931 56 HG2 ARG 11 1HG ARG 11 2.901 -5.348 9.928 57 HG3 ARG 11 2HG ARG 11 3.017 -3.857 9.014 58 HD2 ARG 11 1HD ARG 11 3.315 -3.634 11.558 59 HD3 ARG 11 2HD ARG 11 2.159 -2.538 10.829 60 HE ARG 11 HE ARG 11 0.413 -3.645 11.949 61 HH11 ARG 11 2HH2 ARG 11 3.347 -5.580 12.125 62 HH12 ARG 11 1HH2 ARG 11 2.690 -6.703 13.268 63 HH21 ARG 11 2HH1 ARG 11 -0.454 -5.126 13.458 64 HH22 ARG 11 1HH1 ARG 11 0.514 -6.443 14.032 65 H TRP 12 H TRP 12 -0.597 -7.446 8.144 66 HA TRP 12 HA TRP 12 -2.831 -5.982 7.025 67 HB2 TRP 12 1HB TRP 12 -3.285 -7.461 5.244 68 HB3 TRP 12 2HB TRP 12 -1.627 -6.924 5.063 69 HD1 TRP 12 HD TRP 12 0.284 -8.816 5.228 70 HE1 TRP 12 1HE TRP 12 0.330 -11.455 5.271 71 HE3 TRP 12 3HE TRP 12 -4.679 -9.411 6.160 72 HZ2 TRP 12 2HZ TRP 12 -1.670 -13.449 5.680 73 HZ3 TRP 12 3HZ TRP 12 -5.552 -11.737 6.366 74 HH2 TRP 12 HH TRP 12 -4.134 -13.716 6.142 75 H THR 13 H THR 13 -4.645 -6.552 8.177 76 HA THR 13 HA THR 13 -4.531 -9.108 9.638 77 HB THR 13 HB THR 13 -5.563 -7.939 11.539 78 HG1 THR 13 1HG THR 13 -6.534 -5.987 11.089 79 HG21 THR 13 1HG2 THR 13 -3.522 -5.903 10.593 80 HG22 THR 13 2HG2 THR 13 -3.779 -6.549 12.232 81 HG23 THR 13 3HG2 THR 13 -2.981 -7.550 10.995 82 H GLN 14 H GLN 14 -7.138 -8.991 10.703 83 HA GLN 14 HA GLN 14 -9.068 -8.329 8.869 84 HB2 GLN 14 1HB GLN 14 -9.641 -10.533 7.878 85 HB3 GLN 14 2HB GLN 14 -8.062 -9.979 7.358 86 HG2 GLN 14 1HG GLN 14 -7.183 -11.371 9.441 87 HG3 GLN 14 2HG GLN 14 -8.737 -12.174 9.335 88 HE21 GLN 14 1HE2 GLN 14 -6.038 -13.180 8.872 89 HE22 GLN 14 2HE2 GLN 14 -5.996 -13.832 7.267 90 H THR 15 H THR 15 -11.202 -9.718 9.348 91 HA THR 15 HA THR 15 -11.139 -10.829 12.041 92 HB THR 15 HB THR 15 -11.513 -8.420 12.416 93 HG1 THR 15 1HG THR 15 -14.055 -9.876 12.313 94 HG21 THR 15 1HG2 THR 15 -13.636 -7.394 11.472 95 HG22 THR 15 2HG2 THR 15 -12.394 -7.692 10.232 96 HG23 THR 15 3HG2 THR 15 -13.779 -8.800 10.389 97 H LEU 16 H LEU 16 -11.350 -12.192 9.590 98 HA LEU 16 HA LEU 16 -12.617 -13.660 8.537 99 HB2 LEU 16 1HB LEU 16 -14.342 -13.504 11.013 100 HB3 LEU 16 2HB LEU 16 -14.401 -14.767 9.800 101 HG LEU 16 HG LEU 16 -11.757 -14.280 11.078 102 HD11 LEU 16 1HD1 LEU 16 -13.902 -15.787 12.586 103 HD12 LEU 16 2HD1 LEU 16 -12.249 -15.388 13.115 104 HD13 LEU 16 3HD1 LEU 16 -13.462 -14.098 12.933 105 HD21 LEU 16 1HD2 LEU 16 -11.356 -16.483 10.594 106 HD22 LEU 16 2HD2 LEU 16 -13.066 -16.952 10.759 107 HD23 LEU 16 3HD2 LEU 16 -12.519 -16.079 9.308 108 H ALA 17 H ALA 17 -13.200 -10.598 8.512 109 HA ALA 17 HA ALA 17 -15.521 -10.871 6.809 110 HB1 ALA 17 1HB ALA 17 -16.483 -10.461 9.058 111 HB2 ALA 17 2HB ALA 17 -15.497 -8.986 9.201 112 HB3 ALA 17 3HB ALA 17 -16.767 -9.091 7.958 113 H GLU 18 H GLU 18 -13.731 -8.195 8.500 114 HA GLU 18 HA GLU 18 -13.306 -7.035 5.884 115 HB2 GLU 18 1HB GLU 18 -12.700 -5.827 8.616 116 HB3 GLU 18 2HB GLU 18 -12.765 -4.976 7.085 117 HG2 GLU 18 1HG GLU 18 -15.066 -4.901 7.065 118 HG3 GLU 18 2HG GLU 18 -15.230 -6.519 7.718 119 H LEU 19 H LEU 19 -11.131 -6.159 5.308 120 HA LEU 19 HA LEU 19 -8.999 -7.693 6.626 121 HB2 LEU 19 1HB LEU 19 -9.849 -7.612 3.837 122 HB3 LEU 19 2HB LEU 19 -8.153 -7.219 4.030 123 HG LEU 19 HG LEU 19 -9.160 -9.625 5.478 124 HD11 LEU 19 1HD1 LEU 19 -10.239 -9.732 3.229 125 HD12 LEU 19 2HD1 LEU 19 -8.616 -9.702 2.500 126 HD13 LEU 19 3HD1 LEU 19 -9.093 -11.053 3.556 127 HD21 LEU 19 1HD2 LEU 19 -6.756 -8.636 5.425 128 HD22 LEU 19 2HD2 LEU 19 -6.987 -10.395 5.280 129 HD23 LEU 19 3HD2 LEU 19 -6.656 -9.417 3.829 130 H ASP 20 H ASP 20 -7.499 -6.435 7.583 131 HA ASP 20 HA ASP 20 -7.501 -3.642 6.823 132 HB2 ASP 20 1HB ASP 20 -7.374 -4.983 9.293 133 HB3 ASP 20 2HB ASP 20 -5.722 -4.457 9.036 134 H LEU 21 H LEU 21 -5.487 -2.582 6.204 135 HA LEU 21 HA LEU 21 -3.113 -4.234 6.022 136 HB2 LEU 21 1HB LEU 21 -3.983 -4.838 3.959 137 HB3 LEU 21 2HB LEU 21 -4.674 -3.255 3.661 138 HG LEU 21 HG LEU 21 -2.421 -2.323 3.306 139 HD11 LEU 21 1HD1 LEU 21 -1.605 -4.945 4.351 140 HD12 LEU 21 2HD1 LEU 21 -0.725 -4.434 2.891 141 HD13 LEU 21 3HD1 LEU 21 -0.741 -3.389 4.332 142 HD21 LEU 21 1HD2 LEU 21 -1.973 -4.210 1.319 143 HD22 LEU 21 2HD2 LEU 21 -3.719 -4.327 1.640 144 HD23 LEU 21 3HD2 LEU 21 -2.999 -2.760 1.202 145 H ALA 22 H ALA 22 -1.246 -3.036 6.276 146 HA ALA 22 HA ALA 22 -1.447 -0.149 5.976 147 HB1 ALA 22 1HB ALA 22 -0.763 0.328 8.205 148 HB2 ALA 22 2HB ALA 22 -2.081 -0.858 8.363 149 HB3 ALA 22 3HB ALA 22 -0.389 -1.380 8.540 150 H VAL 23 H VAL 23 0.248 0.423 4.719 151 HA VAL 23 HA VAL 23 2.706 -1.160 5.025 152 HB VAL 23 HB VAL 23 1.611 0.158 2.533 153 HG11 VAL 23 1HG1 VAL 23 4.197 -0.169 2.977 154 HG12 VAL 23 2HG1 VAL 23 3.834 -1.854 2.530 155 HG13 VAL 23 3HG1 VAL 23 3.485 -0.534 1.387 156 HG21 VAL 23 1HG2 VAL 23 0.674 -1.801 1.882 157 HG22 VAL 23 2HG2 VAL 23 1.933 -2.789 2.660 158 HG23 VAL 23 3HG2 VAL 23 0.609 -2.106 3.634 159 HA PRO 24 HA PRO 24 4.005 2.877 6.229 160 HB2 PRO 24 1HB PRO 24 6.222 2.085 7.618 161 HB3 PRO 24 2HB PRO 24 4.631 2.213 8.343 162 HG2 PRO 24 1HG PRO 24 6.117 -0.217 7.549 163 HG3 PRO 24 2HG PRO 24 4.752 -0.072 8.638 164 HD2 PRO 24 1HD PRO 24 4.697 -1.027 5.934 165 HD3 PRO 24 2HD PRO 24 3.317 -0.773 6.984 166 H PHE 25 H PHE 25 5.657 4.389 5.683 167 HA PHE 25 HA PHE 25 7.555 3.252 3.771 168 HB2 PHE 25 1HB PHE 25 5.651 5.650 3.501 169 HB3 PHE 25 2HB PHE 25 7.018 5.430 2.427 170 HD1 PHE 25 1HD PHE 25 6.805 2.385 2.205 171 HD2 PHE 25 2HD PHE 25 3.915 5.478 1.902 172 HE1 PHE 25 1HE PHE 25 5.403 0.928 0.719 173 HE2 PHE 25 2HE PHE 25 2.512 4.021 0.415 174 HZ PHE 25 HZ PHE 25 3.273 1.763 -0.159 175 H ARG 26 H ARG 26 9.382 4.807 3.278 176 HA ARG 26 HA ARG 26 9.912 6.330 5.695 177 HB2 ARG 26 1HB ARG 26 11.640 4.765 3.778 178 HB3 ARG 26 2HB ARG 26 12.368 6.152 4.563 179 HG2 ARG 26 1HG ARG 26 10.813 4.364 6.378 180 HG3 ARG 26 2HG ARG 26 12.237 3.629 5.669 181 HD2 ARG 26 1HD ARG 26 13.662 4.896 6.935 182 HD3 ARG 26 2HD ARG 26 12.771 6.372 6.622 183 HE ARG 26 HE ARG 26 11.137 4.900 8.362 184 HH11 ARG 26 2HH2 ARG 26 14.404 6.203 8.449 185 HH12 ARG 26 1HH2 ARG 26 14.412 6.413 10.168 186 HH21 ARG 26 2HH1 ARG 26 11.146 5.176 10.630 187 HH22 ARG 26 1HH1 ARG 26 12.546 5.824 11.417 188 H VAL 27 H VAL 27 9.165 8.420 5.221 189 HA VAL 27 HA VAL 27 10.539 9.755 3.026 190 HB VAL 27 HB VAL 27 8.252 10.910 2.602 191 HG11 VAL 27 1HG1 VAL 27 7.856 8.381 1.327 192 HG12 VAL 27 2HG1 VAL 27 8.542 9.877 0.649 193 HG13 VAL 27 3HG1 VAL 27 9.607 8.685 1.432 194 HG21 VAL 27 1HG2 VAL 27 6.414 10.080 3.556 195 HG22 VAL 27 2HG2 VAL 27 6.801 8.439 2.985 196 HG23 VAL 27 3HG2 VAL 27 7.454 9.018 4.536 197 H SER 28 H SER 28 10.229 12.217 3.243 198 HA SER 28 HA SER 28 10.198 12.799 6.098 199 HB2 SER 28 1HB SER 28 12.061 13.454 3.982 200 HB3 SER 28 2HB SER 28 11.391 14.945 4.614 201 HG SER 28 HG SER 28 12.559 12.841 6.230 202 H PHE 29 H PHE 29 8.032 12.751 3.780 203 HA PHE 29 HA PHE 29 6.899 15.333 4.545 204 HB2 PHE 29 1HB PHE 29 6.130 15.509 2.118 205 HB3 PHE 29 2HB PHE 29 7.873 15.585 2.279 206 HD1 PHE 29 2HD PHE 29 9.269 13.684 1.589 207 HD2 PHE 29 1HD PHE 29 5.061 13.635 1.042 208 HE1 PHE 29 2HE PHE 29 9.500 11.774 -0.023 209 HE2 PHE 29 1HE PHE 29 5.293 11.726 -0.570 210 HZ PHE 29 HZ PHE 29 7.510 10.818 -1.083 211 H ARG 30 H ARG 30 4.459 15.357 3.645 212 HA ARG 30 HA ARG 30 3.330 12.989 4.779 213 HB2 ARG 30 1HB ARG 30 2.416 15.760 4.132 214 HB3 ARG 30 2HB ARG 30 1.178 14.531 3.969 215 HG2 ARG 30 1HG ARG 30 0.917 14.487 6.218 216 HG3 ARG 30 2HG ARG 30 2.577 13.957 6.404 217 HD2 ARG 30 1HD ARG 30 3.046 16.598 5.962 218 HD3 ARG 30 2HD ARG 30 1.430 16.729 6.627 219 HE ARG 30 HE ARG 30 3.851 15.832 8.052 220 HH11 ARG 30 2HH2 ARG 30 0.337 16.016 8.073 221 HH12 ARG 30 1HH2 ARG 30 0.209 15.816 9.789 222 HH21 ARG 30 2HH1 ARG 30 3.683 15.568 10.316 223 HH22 ARG 30 1HH1 ARG 30 2.125 15.560 11.073 224 H LEU 31 H LEU 31 2.382 11.318 3.613 225 HA LEU 31 HA LEU 31 2.702 11.282 0.806 226 HB2 LEU 31 1HB LEU 31 1.541 9.464 2.877 227 HB3 LEU 31 2HB LEU 31 1.202 9.155 1.185 228 HG LEU 31 HG LEU 31 3.120 7.863 2.116 229 HD11 LEU 31 1HD1 LEU 31 2.780 8.616 -0.353 230 HD12 LEU 31 2HD1 LEU 31 4.188 9.659 -0.042 231 HD13 LEU 31 3HD1 LEU 31 4.329 7.894 0.146 232 HD21 LEU 31 1HD2 LEU 31 5.027 10.079 1.932 233 HD22 LEU 31 2HD2 LEU 31 3.873 10.241 3.278 234 HD23 LEU 31 3HD2 LEU 31 4.880 8.780 3.140 235 H LYS 32 H LYS 32 1.353 11.909 -0.810 236 HA LYS 32 HA LYS 32 -1.263 12.908 0.035 237 HB2 LYS 32 1HB LYS 32 0.375 13.495 -2.450 238 HB3 LYS 32 2HB LYS 32 -1.196 14.180 -2.089 239 HG2 LYS 32 1HG LYS 32 -0.306 15.712 -0.660 240 HG3 LYS 32 2HG LYS 32 0.611 14.489 0.197 241 HD2 LYS 32 1HD LYS 32 2.276 14.521 -1.765 242 HD3 LYS 32 2HD LYS 32 1.421 15.926 -2.369 243 HE2 LYS 32 1HE LYS 32 2.084 17.287 -0.556 244 HE3 LYS 32 2HE LYS 32 2.344 15.923 0.512 245 HZ1 LYS 32 1HZ LYS 32 4.305 15.378 -0.619 246 HZ2 LYS 32 2HZ LYS 32 3.997 16.388 -1.865 247 HZ3 LYS 32 3HZ LYS 32 4.375 16.995 -0.397 248 H GLY 33 H GLY 33 -3.174 12.372 -1.196 249 HA2 GLY 33 1HA GLY 33 -3.296 9.638 -1.918 250 HA3 GLY 33 2HA GLY 33 -4.554 10.843 -2.104 251 H LYS 34 H LYS 34 -2.375 12.536 -3.659 252 HA LYS 34 HA LYS 34 -3.037 11.328 -6.222 253 HB2 LYS 34 1HB LYS 34 -2.424 13.495 -7.158 254 HB3 LYS 34 2HB LYS 34 -3.611 13.676 -5.881 255 HG2 LYS 34 1HG LYS 34 -1.038 13.785 -4.621 256 HG3 LYS 34 2HG LYS 34 -0.937 14.799 -6.047 257 HD2 LYS 34 1HD LYS 34 -3.401 15.555 -5.074 258 HD3 LYS 34 2HD LYS 34 -2.579 15.156 -3.579 259 HE2 LYS 34 1HE LYS 34 -0.597 16.604 -4.612 260 HE3 LYS 34 2HE LYS 34 -1.861 17.270 -5.626 261 HZ1 LYS 34 1HZ LYS 34 -2.970 18.089 -3.794 262 HZ2 LYS 34 2HZ LYS 34 -2.209 17.114 -2.729 263 HZ3 LYS 34 3HZ LYS 34 -1.407 18.363 -3.408 264 H ASP 35 H ASP 35 -0.651 10.988 -3.942 265 HA ASP 35 HA ASP 35 1.367 10.649 -6.020 266 HB2 ASP 35 1HB ASP 35 1.450 11.942 -3.426 267 HB3 ASP 35 2HB ASP 35 2.531 10.563 -3.387 268 H VAL 36 H VAL 36 -0.865 9.096 -4.023 269 HA VAL 36 HA VAL 36 0.862 6.784 -3.532 270 HB VAL 36 HB VAL 36 -1.910 7.399 -2.494 271 HG11 VAL 36 1HG1 VAL 36 -1.113 5.694 -0.717 272 HG12 VAL 36 2HG1 VAL 36 -1.625 5.083 -2.309 273 HG13 VAL 36 3HG1 VAL 36 0.107 5.228 -1.926 274 HG21 VAL 36 1HG2 VAL 36 0.471 8.707 -1.827 275 HG22 VAL 36 2HG2 VAL 36 -1.045 8.700 -0.895 276 HG23 VAL 36 3HG2 VAL 36 0.231 7.515 -0.527 277 H VAL 37 H VAL 37 -0.355 4.594 -3.830 278 HA VAL 37 HA VAL 37 -2.237 4.687 -6.037 279 HB VAL 37 HB VAL 37 0.521 3.478 -6.173 280 HG11 VAL 37 1HG1 VAL 37 -1.940 2.385 -7.230 281 HG12 VAL 37 2HG1 VAL 37 -0.854 2.866 -8.556 282 HG13 VAL 37 3HG1 VAL 37 -0.285 1.733 -7.307 283 HG21 VAL 37 1HG2 VAL 37 -1.007 5.556 -7.728 284 HG22 VAL 37 2HG2 VAL 37 0.634 5.633 -7.042 285 HG23 VAL 37 3HG2 VAL 37 0.322 4.652 -8.494 286 H VAL 38 H VAL 38 -3.883 3.377 -5.455 287 HA VAL 38 HA VAL 38 -3.202 0.872 -4.124 288 HB VAL 38 HB VAL 38 -5.071 3.002 -3.094 289 HG11 VAL 38 1HG1 VAL 38 -6.469 1.464 -2.291 290 HG12 VAL 38 2HG1 VAL 38 -5.515 0.177 -3.067 291 HG13 VAL 38 3HG1 VAL 38 -5.125 0.698 -1.410 292 HG21 VAL 38 1HG2 VAL 38 -3.788 2.399 -0.941 293 HG22 VAL 38 2HG2 VAL 38 -2.629 1.584 -2.019 294 HG23 VAL 38 3HG2 VAL 38 -2.927 3.330 -2.190 295 H ASP 39 H ASP 39 -3.859 -0.557 -5.664 296 HA ASP 39 HA ASP 39 -6.299 0.083 -7.083 297 HB2 ASP 39 1HB ASP 39 -3.888 -0.942 -7.943 298 HB3 ASP 39 2HB ASP 39 -4.795 -2.423 -7.708 299 H ILE 40 H ILE 40 -7.993 -0.556 -5.655 300 HA ILE 40 HA ILE 40 -7.766 -3.165 -4.383 301 HB ILE 40 HB ILE 40 -9.711 -0.882 -4.052 302 HG12 ILE 40 1HG1 ILE 40 -7.775 -1.935 -1.996 303 HG13 ILE 40 2HG1 ILE 40 -7.266 -0.757 -3.189 304 HG21 ILE 40 1HG2 ILE 40 -11.153 -2.346 -3.210 305 HG22 ILE 40 2HG2 ILE 40 -9.982 -3.679 -3.347 306 HG23 ILE 40 3HG2 ILE 40 -9.986 -2.644 -1.899 307 HD11 ILE 40 1HD1 ILE 40 -9.328 0.640 -2.474 308 HD12 ILE 40 2HD1 ILE 40 -9.434 -0.460 -1.079 309 HD13 ILE 40 3HD1 ILE 40 -7.980 0.538 -1.316 310 H GLN 41 H GLN 41 -8.109 -4.717 -5.954 311 HA GLN 41 HA GLN 41 -10.481 -4.347 -7.589 312 HB2 GLN 41 1HB GLN 41 -7.891 -5.801 -7.922 313 HB3 GLN 41 2HB GLN 41 -9.298 -6.589 -8.608 314 HG2 GLN 41 1HG GLN 41 -8.618 -3.662 -9.140 315 HG3 GLN 41 2HG GLN 41 -8.057 -4.969 -10.164 316 HE21 GLN 41 1HE2 GLN 41 -9.482 -3.150 -11.381 317 HE22 GLN 41 2HE2 GLN 41 -11.096 -3.663 -11.744 318 H ARG 42 H ARG 42 -11.457 -6.745 -8.172 319 HA ARG 42 HA ARG 42 -12.718 -7.525 -5.859 320 HB2 ARG 42 1HB ARG 42 -13.520 -7.874 -8.249 321 HB3 ARG 42 2HB ARG 42 -12.359 -9.177 -8.410 322 HG2 ARG 42 1HG ARG 42 -14.418 -10.248 -7.828 323 HG3 ARG 42 2HG ARG 42 -13.463 -10.268 -6.359 324 HD2 ARG 42 1HD ARG 42 -15.025 -9.040 -5.254 325 HD3 ARG 42 2HD ARG 42 -14.968 -7.781 -6.472 326 HE ARG 42 HE ARG 42 -16.897 -10.002 -6.332 327 HH11 ARG 42 2HH2 ARG 42 -15.503 -7.462 -8.329 328 HH12 ARG 42 1HH2 ARG 42 -16.842 -7.413 -9.426 329 HH21 ARG 42 2HH1 ARG 42 -18.665 -9.938 -7.779 330 HH22 ARG 42 1HH1 ARG 42 -18.653 -8.830 -9.111 331 H ARG 43 H ARG 43 -10.115 -9.182 -7.790 332 HA ARG 43 HA ARG 43 -9.377 -10.525 -5.325 333 HB2 ARG 43 1HB ARG 43 -10.612 -11.854 -7.422 334 HB3 ARG 43 2HB ARG 43 -8.924 -12.077 -7.835 335 HG2 ARG 43 1HG ARG 43 -8.442 -13.137 -5.710 336 HG3 ARG 43 2HG ARG 43 -9.985 -12.649 -5.037 337 HD2 ARG 43 1HD ARG 43 -11.110 -14.397 -6.014 338 HD3 ARG 43 2HD ARG 43 -10.254 -14.229 -7.534 339 HE ARG 43 HE ARG 43 -8.415 -15.232 -5.591 340 HH11 ARG 43 2HH2 ARG 43 -11.284 -16.260 -7.350 341 HH12 ARG 43 1HH2 ARG 43 -10.865 -17.940 -7.307 342 HH21 ARG 43 2HH1 ARG 43 -7.861 -17.449 -5.533 343 HH22 ARG 43 1HH1 ARG 43 -8.905 -18.621 -6.266 344 H HIS 44 H HIS 44 -8.110 -8.216 -6.019 345 HA HIS 44 HA HIS 44 -5.472 -9.093 -6.502 346 HB2 HIS 44 1HB HIS 44 -6.716 -8.848 -8.842 347 HB3 HIS 44 2HB HIS 44 -6.347 -7.152 -8.604 348 HD1 HIS 44 1HD HIS 44 -3.682 -6.614 -8.172 349 HD2 HIS 44 2HD HIS 44 -4.637 -10.337 -9.851 350 HE1 HIS 44 1HE HIS 44 -1.531 -7.497 -9.222 351 H LEU 45 H LEU 45 -4.126 -7.751 -5.373 352 HA LEU 45 HA LEU 45 -5.210 -5.097 -4.727 353 HB2 LEU 45 1HB LEU 45 -5.246 -6.792 -2.866 354 HB3 LEU 45 2HB LEU 45 -3.495 -6.815 -2.934 355 HG LEU 45 HG LEU 45 -3.406 -4.440 -2.346 356 HD11 LEU 45 1HD1 LEU 45 -5.130 -3.116 -2.788 357 HD12 LEU 45 2HD1 LEU 45 -6.197 -4.512 -3.073 358 HD13 LEU 45 3HD1 LEU 45 -5.999 -3.865 -1.427 359 HD21 LEU 45 1HD2 LEU 45 -4.763 -6.434 -0.596 360 HD22 LEU 45 2HD2 LEU 45 -3.197 -5.608 -0.406 361 HD23 LEU 45 3HD2 LEU 45 -4.710 -4.743 -0.042 362 H ARG 46 H ARG 46 -3.687 -3.356 -4.614 363 HA ARG 46 HA ARG 46 -0.979 -3.938 -5.260 364 HB2 ARG 46 1HB ARG 46 -2.401 -3.837 -7.487 365 HB3 ARG 46 2HB ARG 46 -2.440 -2.108 -7.203 366 HG2 ARG 46 1HG ARG 46 0.191 -2.393 -6.890 367 HG3 ARG 46 2HG ARG 46 -0.054 -3.879 -7.786 368 HD2 ARG 46 1HD ARG 46 -1.512 -1.732 -9.100 369 HD3 ARG 46 2HD ARG 46 0.142 -1.217 -8.830 370 HE ARG 46 HE ARG 46 -0.136 -3.939 -9.930 371 HH11 ARG 46 2HH2 ARG 46 0.305 -0.521 -10.640 372 HH12 ARG 46 1HH2 ARG 46 0.971 -0.803 -12.214 373 HH21 ARG 46 2HH1 ARG 46 0.743 -4.312 -12.006 374 HH22 ARG 46 1HH1 ARG 46 1.222 -2.974 -12.996 375 H VAL 47 H VAL 47 0.044 -2.600 -3.802 376 HA VAL 47 HA VAL 47 -1.041 0.117 -3.522 377 HB VAL 47 HB VAL 47 0.151 -1.684 -1.404 378 HG11 VAL 47 1HG1 VAL 47 -0.576 1.242 -1.404 379 HG12 VAL 47 2HG1 VAL 47 -0.659 0.283 0.093 380 HG13 VAL 47 3HG1 VAL 47 0.885 0.440 -0.779 381 HG21 VAL 47 1HG2 VAL 47 -2.325 -1.940 -2.277 382 HG22 VAL 47 2HG2 VAL 47 -1.964 -1.990 -0.535 383 HG23 VAL 47 3HG2 VAL 47 -2.604 -0.500 -1.268 384 H GLY 48 H GLY 48 0.647 1.736 -2.838 385 HA2 GLY 48 1HA GLY 48 3.261 1.608 -2.633 386 HA3 GLY 48 2HA GLY 48 3.107 1.199 -4.330 387 H LEU 49 H LEU 49 4.476 3.530 -3.477 388 HA LEU 49 HA LEU 49 2.639 5.740 -3.756 389 HB2 LEU 49 1HB LEU 49 5.653 5.746 -3.571 390 HB3 LEU 49 2HB LEU 49 4.582 7.120 -3.384 391 HG LEU 49 HG LEU 49 5.313 6.475 -1.216 392 HD11 LEU 49 1HD1 LEU 49 2.860 7.045 -1.578 393 HD12 LEU 49 2HD1 LEU 49 2.536 5.303 -1.405 394 HD13 LEU 49 3HD1 LEU 49 3.275 6.208 -0.063 395 HD21 LEU 49 1HD2 LEU 49 5.816 4.051 -2.076 396 HD22 LEU 49 2HD2 LEU 49 5.466 4.348 -0.356 397 HD23 LEU 49 3HD2 LEU 49 4.197 3.701 -1.425 398 H LYS 50 H LYS 50 2.224 6.883 -5.601 399 HA LYS 50 HA LYS 50 2.510 5.843 -8.050 400 HB2 LYS 50 1HB LYS 50 1.484 8.151 -7.023 401 HB3 LYS 50 2HB LYS 50 2.818 8.787 -7.964 402 HG2 LYS 50 1HG LYS 50 1.945 8.020 -9.998 403 HG3 LYS 50 2HG LYS 50 1.092 6.682 -9.255 404 HD2 LYS 50 1HD LYS 50 -0.616 8.176 -8.345 405 HD3 LYS 50 2HD LYS 50 0.297 9.595 -8.816 406 HE2 LYS 50 1HE LYS 50 -0.081 7.927 -11.158 407 HE3 LYS 50 2HE LYS 50 -1.632 8.139 -10.371 408 HZ1 LYS 50 1HZ LYS 50 -0.647 10.597 -10.263 409 HZ2 LYS 50 2HZ LYS 50 0.025 10.086 -11.661 410 HZ3 LYS 50 3HZ LYS 50 -1.597 10.056 -11.475 411 H GLY 51 H GLY 51 4.083 5.492 -9.553 412 HA2 GLY 51 1HA GLY 51 6.057 5.833 -10.662 413 HA3 GLY 51 2HA GLY 51 6.533 7.041 -9.485 414 H GLN 52 H GLN 52 6.160 5.531 -7.057 415 HA GLN 52 HA GLN 52 8.583 4.085 -7.126 416 HB2 GLN 52 1HB GLN 52 6.605 4.956 -5.072 417 HB3 GLN 52 2HB GLN 52 7.502 3.506 -4.667 418 HG2 GLN 52 1HG GLN 52 9.128 5.746 -5.805 419 HG3 GLN 52 2HG GLN 52 8.430 6.051 -4.227 420 HE21 GLN 52 1HE2 GLN 52 8.781 4.466 -2.533 421 HE22 GLN 52 2HE2 GLN 52 10.264 3.574 -2.472 422 HA PRO 53 HA PRO 53 7.080 0.029 -7.514 423 HB2 PRO 53 1HB PRO 53 8.567 -1.449 -5.762 424 HB3 PRO 53 2HB PRO 53 9.173 -0.911 -7.316 425 HG2 PRO 53 1HG PRO 53 9.800 0.130 -4.621 426 HG3 PRO 53 2HG PRO 53 10.686 0.351 -6.116 427 HD2 PRO 53 1HD PRO 53 8.981 2.267 -4.832 428 HD3 PRO 53 2HD PRO 53 9.774 2.444 -6.384 429 HA PRO 54 HA PRO 54 3.933 -0.548 -4.695 430 HB2 PRO 54 1HB PRO 54 2.583 -2.559 -5.959 431 HB3 PRO 54 2HB PRO 54 2.367 -0.865 -6.352 432 HG2 PRO 54 1HG PRO 54 3.829 -2.946 -7.859 433 HG3 PRO 54 2HG PRO 54 3.244 -1.391 -8.419 434 HD2 PRO 54 1HD PRO 54 5.953 -2.071 -7.763 435 HD3 PRO 54 2HD PRO 54 5.348 -0.488 -8.211 436 H VAL 55 H VAL 55 4.549 -1.226 -2.733 437 HA VAL 55 HA VAL 55 6.084 -3.494 -2.365 438 HB VAL 55 HB VAL 55 4.108 -2.338 -0.397 439 HG11 VAL 55 1HG1 VAL 55 6.558 -2.922 0.840 440 HG12 VAL 55 2HG1 VAL 55 5.037 -3.837 0.974 441 HG13 VAL 55 3HG1 VAL 55 6.246 -4.295 -0.249 442 HG21 VAL 55 1HG2 VAL 55 6.330 -0.982 0.205 443 HG22 VAL 55 2HG2 VAL 55 6.610 -1.175 -1.542 444 HG23 VAL 55 3HG2 VAL 55 5.131 -0.372 -0.961 445 H VAL 56 H VAL 56 2.570 -3.070 -2.750 446 HA VAL 56 HA VAL 56 2.289 -5.974 -2.391 447 HB VAL 56 HB VAL 56 0.228 -3.790 -2.023 448 HG11 VAL 56 1HG1 VAL 56 -0.638 -6.120 -0.755 449 HG12 VAL 56 2HG1 VAL 56 -1.250 -5.449 -2.286 450 HG13 VAL 56 3HG1 VAL 56 0.030 -6.685 -2.305 451 HG21 VAL 56 1HG2 VAL 56 2.098 -3.899 -0.299 452 HG22 VAL 56 2HG2 VAL 56 0.440 -4.071 0.326 453 HG23 VAL 56 3HG2 VAL 56 1.475 -5.507 0.138 454 H ASP 57 H ASP 57 1.464 -7.164 -4.084 455 HA ASP 57 HA ASP 57 -0.116 -6.082 -6.074 456 HB2 ASP 57 1HB ASP 57 1.720 -4.895 -7.001 457 HB3 ASP 57 2HB ASP 57 2.863 -6.165 -6.612 458 H GLY 58 H GLY 58 -1.087 -8.174 -5.365 459 HA2 GLY 58 1HA GLY 58 -0.116 -10.409 -6.939 460 HA3 GLY 58 2HA GLY 58 -0.039 -10.634 -5.203 461 H GLU 59 H GLU 59 -1.673 -12.305 -6.725 462 HA GLU 59 HA GLU 59 -4.303 -11.255 -6.818 463 HB2 GLU 59 1HB GLU 59 -3.688 -12.964 -8.414 464 HB3 GLU 59 2HB GLU 59 -3.149 -14.051 -7.150 465 HG2 GLU 59 1HG GLU 59 -5.358 -14.541 -6.438 466 HG3 GLU 59 2HG GLU 59 -6.018 -13.077 -7.139 467 H LEU 60 H LEU 60 -5.532 -10.888 -5.027 468 HA LEU 60 HA LEU 60 -4.914 -11.630 -2.488 469 HB2 LEU 60 1HB LEU 60 -7.609 -11.115 -3.747 470 HB3 LEU 60 2HB LEU 60 -7.353 -11.261 -2.020 471 HG LEU 60 HG LEU 60 -5.895 -9.217 -3.706 472 HD11 LEU 60 1HD1 LEU 60 -8.685 -9.200 -2.696 473 HD12 LEU 60 2HD1 LEU 60 -7.732 -7.719 -2.433 474 HD13 LEU 60 3HD1 LEU 60 -7.951 -8.356 -4.081 475 HD21 LEU 60 1HD2 LEU 60 -4.748 -9.384 -1.705 476 HD22 LEU 60 2HD2 LEU 60 -5.905 -8.074 -1.367 477 HD23 LEU 60 3HD2 LEU 60 -6.219 -9.718 -0.762 478 H TYR 61 H TYR 61 -6.187 -13.158 -1.002 479 HA TYR 61 HA TYR 61 -5.871 -15.787 -2.036 480 HB2 TYR 61 1HB TYR 61 -5.426 -15.062 0.332 481 HB3 TYR 61 2HB TYR 61 -7.086 -14.528 0.500 482 HD1 TYR 61 2HD TYR 61 -8.923 -16.403 0.128 483 HD2 TYR 61 1HD TYR 61 -4.832 -17.178 1.109 484 HE1 TYR 61 2HE TYR 61 -9.564 -18.696 1.019 485 HE2 TYR 61 1HE TYR 61 -5.486 -19.469 1.996 486 HH TYR 61 HH TYR 61 -8.167 -20.987 1.259 487 H ASN 62 H ASN 62 -8.560 -13.513 -1.705 488 HA ASN 62 HA ASN 62 -10.202 -15.347 -3.133 489 HB2 ASN 62 1HB ASN 62 -10.469 -15.075 -0.232 490 HB3 ASN 62 2HB ASN 62 -11.919 -14.473 -1.010 491 HD21 ASN 62 1HD2 ASN 62 -12.889 -16.309 0.083 492 HD22 ASN 62 2HD2 ASN 62 -12.893 -17.867 -0.675 493 H GLU 63 H GLU 63 -12.528 -14.157 -3.399 494 HA GLU 63 HA GLU 63 -11.953 -11.622 -4.418 495 HB2 GLU 63 1HB GLU 63 -14.461 -13.267 -4.046 496 HB3 GLU 63 2HB GLU 63 -14.607 -11.590 -4.534 497 HG2 GLU 63 1HG GLU 63 -12.839 -12.166 -6.372 498 HG3 GLU 63 2HG GLU 63 -13.179 -13.844 -5.996 499 H VAL 64 H VAL 64 -12.992 -9.538 -3.797 500 HA VAL 64 HA VAL 64 -14.017 -9.402 -1.097 501 HB VAL 64 HB VAL 64 -12.341 -7.610 -0.533 502 HG11 VAL 64 1HG1 VAL 64 -10.617 -9.206 0.198 503 HG12 VAL 64 2HG1 VAL 64 -12.256 -9.844 0.471 504 HG13 VAL 64 3HG1 VAL 64 -11.288 -10.435 -0.901 505 HG21 VAL 64 1HG2 VAL 64 -10.697 -8.856 -2.757 506 HG22 VAL 64 2HG2 VAL 64 -11.550 -7.301 -2.903 507 HG23 VAL 64 3HG2 VAL 64 -10.250 -7.493 -1.703 508 H LYS 65 H LYS 65 -15.461 -7.707 -0.860 509 HA LYS 65 HA LYS 65 -16.418 -6.515 -3.204 510 HB2 LYS 65 1HB LYS 65 -17.579 -7.038 -0.933 511 HB3 LYS 65 2HB LYS 65 -16.980 -5.468 -0.436 512 HG2 LYS 65 1HG LYS 65 -18.512 -4.358 -1.710 513 HG3 LYS 65 2HG LYS 65 -18.190 -5.355 -3.115 514 HD2 LYS 65 1HD LYS 65 -19.663 -7.133 -2.256 515 HD3 LYS 65 2HD LYS 65 -19.889 -6.271 -0.748 516 HE2 LYS 65 1HE LYS 65 -20.997 -4.399 -1.958 517 HE3 LYS 65 2HE LYS 65 -20.722 -5.205 -3.490 518 HZ1 LYS 65 1HZ LYS 65 -22.041 -6.815 -1.524 519 HZ2 LYS 65 2HZ LYS 65 -22.900 -5.513 -2.010 520 HZ3 LYS 65 3HZ LYS 65 -22.387 -6.609 -3.107 521 H VAL 66 H VAL 66 -15.285 -5.089 -4.414 522 HA VAL 66 HA VAL 66 -13.344 -3.383 -3.170 523 HB VAL 66 HB VAL 66 -12.736 -2.794 -5.358 524 HG11 VAL 66 1HG1 VAL 66 -12.124 -5.073 -4.832 525 HG12 VAL 66 2HG1 VAL 66 -13.716 -5.667 -5.362 526 HG13 VAL 66 3HG1 VAL 66 -12.582 -4.981 -6.549 527 HG21 VAL 66 1HG2 VAL 66 -14.151 -3.374 -7.354 528 HG22 VAL 66 2HG2 VAL 66 -15.466 -3.790 -6.229 529 HG23 VAL 66 3HG2 VAL 66 -14.844 -2.124 -6.293 530 H GLU 67 H GLU 67 -16.658 -3.136 -4.517 531 HA GLU 67 HA GLU 67 -16.817 -0.406 -4.645 532 HB2 GLU 67 1HB GLU 67 -18.749 -2.669 -4.392 533 HB3 GLU 67 2HB GLU 67 -19.375 -1.093 -3.949 534 HG2 GLU 67 1HG GLU 67 -18.313 -0.266 -6.202 535 HG3 GLU 67 2HG GLU 67 -18.213 -1.965 -6.619 536 H GLU 68 H GLU 68 -16.537 -2.491 -1.873 537 HA GLU 68 HA GLU 68 -17.345 -0.257 -0.178 538 HB2 GLU 68 1HB GLU 68 -17.425 -3.255 0.358 539 HB3 GLU 68 2HB GLU 68 -17.667 -2.053 1.610 540 HG2 GLU 68 1HG GLU 68 -19.369 -1.250 -0.518 541 HG3 GLU 68 2HG GLU 68 -19.541 -2.992 -0.433 542 H SER 69 H SER 69 -14.712 -0.777 -1.544 543 HA SER 69 HA SER 69 -13.086 -1.345 0.798 544 HB2 SER 69 1HB SER 69 -12.717 -1.669 -2.151 545 HB3 SER 69 2HB SER 69 -11.289 -1.182 -1.260 546 HG SER 69 HG SER 69 -12.946 -3.445 -0.536 547 H SER 70 H SER 70 -11.044 0.057 1.020 548 HA SER 70 HA SER 70 -11.084 2.569 -0.277 549 HB2 SER 70 1HB SER 70 -11.500 3.983 1.669 550 HB3 SER 70 2HB SER 70 -12.875 2.924 1.427 551 HG SER 70 HG SER 70 -10.740 2.574 3.354 552 H TRP 71 H TRP 71 -9.395 4.085 1.193 553 HA TRP 71 HA TRP 71 -7.437 2.606 2.608 554 HB2 TRP 71 1HB TRP 71 -5.608 2.738 1.042 555 HB3 TRP 71 2HB TRP 71 -6.901 1.743 0.401 556 HD1 TRP 71 HD TRP 71 -8.248 2.746 -1.764 557 HE1 TRP 71 1HE TRP 71 -7.696 4.567 -3.593 558 HE3 TRP 71 3HE TRP 71 -4.438 4.927 0.802 559 HZ2 TRP 71 2HZ TRP 71 -5.772 6.667 -3.757 560 HZ3 TRP 71 3HZ TRP 71 -3.275 6.858 -0.264 561 HH2 TRP 71 HH TRP 71 -3.886 7.731 -2.464 562 H LEU 72 H LEU 72 -5.772 4.093 3.442 563 HA LEU 72 HA LEU 72 -5.991 6.864 2.710 564 HB2 LEU 72 1HB LEU 72 -6.609 7.666 4.904 565 HB3 LEU 72 2HB LEU 72 -7.878 6.681 4.203 566 HG LEU 72 HG LEU 72 -7.817 6.076 6.464 567 HD11 LEU 72 1HD1 LEU 72 -7.457 3.779 6.426 568 HD12 LEU 72 2HD1 LEU 72 -7.700 4.183 4.710 569 HD13 LEU 72 3HD1 LEU 72 -6.056 3.911 5.336 570 HD21 LEU 72 1HD2 LEU 72 -4.811 5.729 6.320 571 HD22 LEU 72 2HD2 LEU 72 -5.640 7.166 6.965 572 HD23 LEU 72 3HD2 LEU 72 -5.849 5.587 7.759 573 H ILE 73 H ILE 73 -4.472 8.148 4.406 574 HA ILE 73 HA ILE 73 -2.102 6.438 4.700 575 HB ILE 73 HB ILE 73 -2.301 9.393 4.110 576 HG12 ILE 73 1HG1 ILE 73 -0.873 7.736 2.189 577 HG13 ILE 73 2HG1 ILE 73 -2.532 7.204 2.379 578 HG21 ILE 73 1HG2 ILE 73 -0.011 9.582 4.249 579 HG22 ILE 73 2HG2 ILE 73 -0.353 8.462 5.589 580 HG23 ILE 73 3HG2 ILE 73 0.259 7.835 4.040 581 HD11 ILE 73 1HD1 ILE 73 -2.305 8.961 0.620 582 HD12 ILE 73 2HD1 ILE 73 -3.359 9.492 1.952 583 HD13 ILE 73 3HD1 ILE 73 -1.686 10.090 1.848 584 H GLU 74 H GLU 74 -1.333 6.118 6.725 585 HA GLU 74 HA GLU 74 -2.633 7.635 8.814 586 HB2 GLU 74 1HB GLU 74 -1.341 4.956 8.595 587 HB3 GLU 74 2HB GLU 74 -1.101 5.774 10.126 588 HG2 GLU 74 1HG GLU 74 -3.872 6.093 9.335 589 HG3 GLU 74 2HG GLU 74 -3.448 4.398 9.207 590 H ASP 75 H ASP 75 -1.460 8.801 10.440 591 HA ASP 75 HA ASP 75 0.070 10.193 11.102 592 HB2 ASP 75 1HB ASP 75 1.395 7.618 10.753 593 HB3 ASP 75 2HB ASP 75 2.544 8.909 10.466 594 H GLY 76 H GLY 76 -0.687 10.070 8.114 595 HA2 GLY 76 1HA GLY 76 -0.070 10.957 6.138 596 HA3 GLY 76 2HA GLY 76 0.719 12.181 7.114 597 H LYS 77 H LYS 77 1.378 8.656 6.478 598 HA LYS 77 HA LYS 77 3.653 9.156 4.921 599 HB2 LYS 77 1HB LYS 77 5.362 8.341 6.605 600 HB3 LYS 77 2HB LYS 77 4.790 9.984 6.811 601 HG2 LYS 77 1HG LYS 77 4.039 9.506 8.895 602 HG3 LYS 77 2HG LYS 77 3.012 8.232 8.269 603 HD2 LYS 77 1HD LYS 77 4.415 7.020 9.702 604 HD3 LYS 77 2HD LYS 77 5.239 6.815 8.169 605 HE2 LYS 77 1HE LYS 77 6.949 8.352 8.720 606 HE3 LYS 77 2HE LYS 77 5.962 9.188 9.902 607 HZ1 LYS 77 1HZ LYS 77 6.171 6.579 10.746 608 HZ2 LYS 77 2HZ LYS 77 7.677 7.024 10.299 609 HZ3 LYS 77 3HZ LYS 77 6.865 7.896 11.416 610 H VAL 78 H VAL 78 1.894 7.043 7.229 611 HA VAL 78 HA VAL 78 2.830 4.697 5.796 612 HB VAL 78 HB VAL 78 1.083 5.066 8.237 613 HG11 VAL 78 1HG1 VAL 78 0.691 2.967 6.795 614 HG12 VAL 78 2HG1 VAL 78 2.309 2.457 7.332 615 HG13 VAL 78 3HG1 VAL 78 1.021 2.736 8.529 616 HG21 VAL 78 1HG2 VAL 78 3.939 4.057 8.026 617 HG22 VAL 78 2HG2 VAL 78 3.481 5.712 8.495 618 HG23 VAL 78 3HG2 VAL 78 3.001 4.333 9.513 619 H VAL 79 H VAL 79 1.476 3.312 4.589 620 HA VAL 79 HA VAL 79 -0.993 4.619 3.719 621 HB VAL 79 HB VAL 79 0.939 2.683 2.479 622 HG11 VAL 79 1HG1 VAL 79 -0.937 1.549 1.794 623 HG12 VAL 79 2HG1 VAL 79 -1.980 2.987 1.886 624 HG13 VAL 79 3HG1 VAL 79 -0.853 2.791 0.522 625 HG21 VAL 79 1HG2 VAL 79 1.560 4.866 1.960 626 HG22 VAL 79 2HG2 VAL 79 0.560 4.407 0.561 627 HG23 VAL 79 3HG2 VAL 79 -0.125 5.430 1.847 628 H THR 80 H THR 80 -2.993 3.609 3.892 629 HA THR 80 HA THR 80 -2.991 0.913 5.053 630 HB THR 80 HB THR 80 -5.104 2.189 6.321 631 HG1 THR 80 1HG THR 80 -4.111 4.191 5.300 632 HG21 THR 80 1HG2 THR 80 -3.850 1.201 7.976 633 HG22 THR 80 2HG2 THR 80 -2.341 1.395 7.052 634 HG23 THR 80 3HG2 THR 80 -2.963 2.743 8.033 635 H VAL 81 H VAL 81 -4.612 -0.445 4.363 636 HA VAL 81 HA VAL 81 -6.468 0.748 2.424 637 HB VAL 81 HB VAL 81 -5.170 -1.972 2.212 638 HG11 VAL 81 1HG1 VAL 81 -7.363 -1.730 1.102 639 HG12 VAL 81 2HG1 VAL 81 -6.738 -0.335 0.190 640 HG13 VAL 81 3HG1 VAL 81 -6.041 -1.952 -0.070 641 HG21 VAL 81 1HG2 VAL 81 -4.352 0.690 1.038 642 HG22 VAL 81 2HG2 VAL 81 -3.359 -0.499 1.915 643 HG23 VAL 81 3HG2 VAL 81 -3.921 -0.853 0.263 644 H HIS 82 H HIS 82 -8.553 -0.351 2.253 645 HA HIS 82 HA HIS 82 -9.098 -2.077 4.550 646 HB2 HIS 82 1HB HIS 82 -9.833 0.180 5.112 647 HB3 HIS 82 2HB HIS 82 -10.751 0.288 3.623 648 HD1 HIS 82 1HD HIS 82 -10.667 -1.983 6.721 649 HD2 HIS 82 2HD HIS 82 -13.375 -0.389 3.942 650 HE1 HIS 82 1HE HIS 82 -12.988 -2.719 7.482 651 H LEU 83 H LEU 83 -9.531 -4.037 3.658 652 HA LEU 83 HA LEU 83 -11.058 -4.044 1.156 653 HB2 LEU 83 1HB LEU 83 -9.369 -6.224 2.391 654 HB3 LEU 83 2HB LEU 83 -10.189 -6.296 0.843 655 HG LEU 83 HG LEU 83 -8.009 -4.299 1.502 656 HD11 LEU 83 1HD1 LEU 83 -7.242 -6.686 1.599 657 HD12 LEU 83 2HD1 LEU 83 -7.711 -6.842 -0.111 658 HD13 LEU 83 3HD1 LEU 83 -6.441 -5.688 0.362 659 HD21 LEU 83 1HD2 LEU 83 -8.095 -3.573 -0.667 660 HD22 LEU 83 2HD2 LEU 83 -8.768 -5.104 -1.276 661 HD23 LEU 83 3HD2 LEU 83 -9.811 -3.961 -0.397 662 H GLU 84 H GLU 84 -12.808 -5.632 0.926 663 HA GLU 84 HA GLU 84 -13.871 -6.437 3.515 664 HB2 GLU 84 1HB GLU 84 -14.970 -4.458 1.751 665 HB3 GLU 84 2HB GLU 84 -16.035 -5.848 1.692 666 HG2 GLU 84 1HG GLU 84 -16.932 -4.859 3.572 667 HG3 GLU 84 2HG GLU 84 -15.665 -5.767 4.372 668 H LYS 85 H LYS 85 -14.633 -8.542 3.593 669 HA LYS 85 HA LYS 85 -14.133 -10.163 1.295 670 HB2 LYS 85 1HB LYS 85 -15.193 -10.767 4.068 671 HB3 LYS 85 2HB LYS 85 -14.941 -11.992 2.840 672 HG2 LYS 85 1HG LYS 85 -12.541 -11.398 2.689 673 HG3 LYS 85 2HG LYS 85 -12.766 -10.087 3.829 674 HD2 LYS 85 1HD LYS 85 -13.418 -11.697 5.600 675 HD3 LYS 85 2HD LYS 85 -13.302 -13.027 4.466 676 HE2 LYS 85 1HE LYS 85 -10.922 -12.828 4.285 677 HE3 LYS 85 2HE LYS 85 -10.915 -11.210 4.958 678 HZ1 LYS 85 1HZ LYS 85 -11.968 -12.491 6.965 679 HZ2 LYS 85 2HZ LYS 85 -11.145 -13.746 6.322 680 HZ3 LYS 85 3HZ LYS 85 -10.350 -12.391 6.769 681 H ILE 86 H ILE 86 -15.707 -11.514 0.195 682 HA ILE 86 HA ILE 86 -18.128 -10.070 -0.278 683 HB ILE 86 HB ILE 86 -17.037 -12.663 -1.373 684 HG12 ILE 86 1HG1 ILE 86 -15.734 -10.588 -1.867 685 HG13 ILE 86 2HG1 ILE 86 -16.363 -11.407 -3.283 686 HG21 ILE 86 1HG2 ILE 86 -19.239 -12.986 -1.852 687 HG22 ILE 86 2HG2 ILE 86 -19.623 -11.248 -1.821 688 HG23 ILE 86 3HG2 ILE 86 -18.800 -11.952 -3.233 689 HD11 ILE 86 1HD1 ILE 86 -18.444 -9.758 -2.902 690 HD12 ILE 86 2HD1 ILE 86 -17.208 -8.787 -2.068 691 HD13 ILE 86 3HD1 ILE 86 -16.990 -9.224 -3.779 692 H ASN 87 H ASN 87 -17.226 -13.280 1.134 693 HA ASN 87 HA ASN 87 -19.968 -13.676 1.874 694 HB2 ASN 87 1HB ASN 87 -17.488 -15.307 1.711 695 HB3 ASN 87 2HB ASN 87 -18.456 -15.682 3.123 696 HD21 ASN 87 1HD2 ASN 87 -18.266 -17.677 1.527 697 HD22 ASN 87 2HD2 ASN 87 -19.661 -17.946 0.536 698 H LYS 88 H LYS 88 -16.732 -12.986 3.308 699 HA LYS 88 HA LYS 88 -16.105 -12.204 5.275 700 HB2 LYS 88 1HB LYS 88 -19.000 -11.514 5.836 701 HB3 LYS 88 2HB LYS 88 -17.572 -10.793 6.550 702 HG2 LYS 88 1HG LYS 88 -17.224 -10.563 3.727 703 HG3 LYS 88 2HG LYS 88 -18.894 -10.133 4.036 704 HD2 LYS 88 1HD LYS 88 -16.829 -8.975 5.890 705 HD3 LYS 88 2HD LYS 88 -16.860 -8.351 4.253 706 HE2 LYS 88 1HE LYS 88 -18.522 -6.968 4.977 707 HE3 LYS 88 2HE LYS 88 -19.566 -8.373 4.895 708 HZ1 LYS 88 1HZ LYS 88 -18.991 -8.848 7.187 709 HZ2 LYS 88 2HZ LYS 88 -18.045 -7.519 7.260 710 HZ3 LYS 88 3HZ LYS 88 -19.657 -7.363 7.049 711 H MET 89 H MET 89 -16.244 -14.909 5.090 712 HA MET 89 HA MET 89 -16.699 -15.587 7.805 713 HB2 MET 89 1HB MET 89 -18.356 -17.377 7.380 714 HB3 MET 89 2HB MET 89 -19.003 -15.856 6.796 715 HG2 MET 89 1HG MET 89 -19.354 -16.927 4.814 716 HG3 MET 89 2HG MET 89 -17.624 -16.801 4.561 717 HE1 MET 89 1HE MET 89 -20.226 -19.060 6.629 718 HE2 MET 89 2HE MET 89 -20.586 -18.947 4.890 719 HE3 MET 89 3HE MET 89 -20.060 -20.496 5.590 720 H GLU 90 H GLU 90 -14.536 -15.477 5.718 721 HA GLU 90 HA GLU 90 -13.744 -18.265 5.980 722 HB2 GLU 90 1HB GLU 90 -14.440 -17.921 3.643 723 HB3 GLU 90 2HB GLU 90 -13.402 -16.515 3.505 724 HG2 GLU 90 1HG GLU 90 -11.971 -18.098 2.600 725 HG3 GLU 90 2HG GLU 90 -11.508 -18.253 4.283 726 H TRP 91 H TRP 91 -11.582 -18.588 6.594 727 HA TRP 91 HA TRP 91 -10.204 -16.167 7.423 728 HB2 TRP 91 1HB TRP 91 -10.413 -17.813 9.113 729 HB3 TRP 91 2HB TRP 91 -9.862 -19.094 8.052 730 HD1 TRP 91 HD TRP 91 -7.271 -19.591 8.102 731 HE1 TRP 91 1HE TRP 91 -5.109 -18.555 9.206 732 HE3 TRP 91 3HE TRP 91 -9.521 -15.351 9.779 733 HZ2 TRP 91 2HZ TRP 91 -4.595 -16.133 10.625 734 HZ3 TRP 91 3HZ TRP 91 -8.118 -13.702 11.015 735 HH2 TRP 91 HH TRP 91 -5.735 -14.039 11.446 736 H TRP 92 H TRP 92 -8.306 -15.440 6.461 737 HA TRP 92 HA TRP 92 -7.544 -16.837 4.016 738 HB2 TRP 92 1HB TRP 92 -7.045 -14.049 5.054 739 HB3 TRP 92 2HB TRP 92 -6.222 -14.698 3.650 740 HD1 TRP 92 HD TRP 92 -9.831 -15.811 3.885 741 HE1 TRP 92 1HE TRP 92 -11.374 -14.578 2.135 742 HE3 TRP 92 3HE TRP 92 -6.391 -12.325 2.519 743 HZ2 TRP 92 2HZ TRP 92 -10.992 -12.334 0.415 744 HZ3 TRP 92 3HZ TRP 92 -7.056 -10.649 0.798 745 HH2 TRP 92 HH TRP 92 -9.267 -10.616 -0.245 746 H ASN 93 H ASN 93 -5.424 -17.638 3.701 747 HA ASN 93 HA ASN 93 -3.970 -17.956 6.180 748 HB2 ASN 93 1HB ASN 93 -4.404 -20.032 4.963 749 HB3 ASN 93 2HB ASN 93 -3.818 -19.346 3.461 750 HD21 ASN 93 1HD2 ASN 93 -1.886 -19.942 2.880 751 HD22 ASN 93 2HD2 ASN 93 -0.570 -20.406 3.907 752 H ARG 94 H ARG 94 -4.105 -15.869 3.545 753 HA ARG 94 HA ARG 94 -1.636 -14.737 4.118 754 HB2 ARG 94 1HB ARG 94 -0.797 -15.079 1.605 755 HB3 ARG 94 2HB ARG 94 -0.416 -16.268 2.835 756 HG2 ARG 94 1HG ARG 94 -1.283 -17.691 1.224 757 HG3 ARG 94 2HG ARG 94 -2.766 -17.319 2.080 758 HD2 ARG 94 1HD ARG 94 -3.313 -15.542 0.441 759 HD3 ARG 94 2HD ARG 94 -1.785 -15.791 -0.380 760 HE ARG 94 HE ARG 94 -4.172 -17.377 -0.713 761 HH11 ARG 94 2HH2 ARG 94 -0.666 -17.658 -0.615 762 HH12 ARG 94 1HH2 ARG 94 -0.624 -19.072 -1.615 763 HH21 ARG 94 2HH1 ARG 94 -4.117 -19.241 -2.033 764 HH22 ARG 94 1HH1 ARG 94 -2.600 -19.978 -2.427 765 H LEU 95 H LEU 95 -1.363 -12.672 2.947 766 HA LEU 95 HA LEU 95 -3.813 -11.491 2.268 767 HB2 LEU 95 1HB LEU 95 -1.668 -10.467 3.228 768 HB3 LEU 95 2HB LEU 95 -1.091 -10.412 1.575 769 HG LEU 95 HG LEU 95 -2.072 -8.276 2.418 770 HD11 LEU 95 1HD1 LEU 95 -3.516 -7.880 0.381 771 HD12 LEU 95 2HD1 LEU 95 -1.882 -8.516 0.069 772 HD13 LEU 95 3HD1 LEU 95 -3.290 -9.602 -0.010 773 HD21 LEU 95 1HD2 LEU 95 -4.202 -8.027 3.133 774 HD22 LEU 95 2HD2 LEU 95 -4.839 -9.277 2.038 775 HD23 LEU 95 3HD2 LEU 95 -4.017 -9.749 3.544 776 H VAL 96 H VAL 96 -0.930 -12.339 0.221 777 HA VAL 96 HA VAL 96 -2.815 -12.600 -2.015 778 HB VAL 96 HB VAL 96 -0.850 -11.772 -3.422 779 HG11 VAL 96 1HG1 VAL 96 -1.667 -9.581 -3.385 780 HG12 VAL 96 2HG1 VAL 96 -3.024 -10.535 -2.738 781 HG13 VAL 96 3HG1 VAL 96 -1.973 -9.618 -1.632 782 HG21 VAL 96 1HG2 VAL 96 0.039 -10.290 -0.966 783 HG22 VAL 96 2HG2 VAL 96 0.674 -11.922 -1.282 784 HG23 VAL 96 3HG2 VAL 96 0.920 -10.626 -2.476 785 H THR 97 H THR 97 -2.193 -14.195 -3.629 786 HA THR 97 HA THR 97 -0.918 -16.454 -2.416 787 HB THR 97 HB THR 97 -1.540 -17.485 -4.647 788 HG1 THR 97 1HG THR 97 -1.415 -15.758 -6.093 789 HG21 THR 97 1HG2 THR 97 -3.356 -16.362 -2.709 790 HG22 THR 97 2HG2 THR 97 -4.030 -16.042 -4.326 791 HG23 THR 97 3HG2 THR 97 -3.660 -17.711 -3.830 792 H SER 98 H SER 98 0.024 -13.866 -4.651 793 HA SER 98 HA SER 98 2.692 -15.003 -4.557 794 HB2 SER 98 1HB SER 98 1.226 -15.287 -6.824 795 HB3 SER 98 2HB SER 98 1.866 -13.683 -7.121 796 HG SER 98 HG SER 98 3.218 -15.477 -7.936 797 H ASP 99 H ASP 99 4.065 -13.469 -3.732 798 HA ASP 99 HA ASP 99 3.120 -10.780 -3.587 799 HB2 ASP 99 1HB ASP 99 5.446 -10.494 -2.432 800 HB3 ASP 99 2HB ASP 99 4.228 -11.457 -1.620 801 HA PRO 100 HA PRO 100 5.627 -9.305 -6.869 802 HB2 PRO 100 1HB PRO 100 6.252 -6.762 -6.087 803 HB3 PRO 100 2HB PRO 100 4.701 -7.198 -6.775 804 HG2 PRO 100 1HG PRO 100 5.379 -6.613 -3.958 805 HG3 PRO 100 2HG PRO 100 3.805 -6.630 -4.727 806 HD2 PRO 100 1HD PRO 100 4.900 -8.653 -3.014 807 HD3 PRO 100 2HD PRO 100 3.375 -8.722 -3.876 808 H GLU 101 H GLU 101 7.262 -7.746 -4.158 809 HA GLU 101 HA GLU 101 9.510 -9.470 -4.621 810 HB2 GLU 101 1HB GLU 101 11.102 -7.705 -5.088 811 HB3 GLU 101 2HB GLU 101 9.797 -7.570 -6.250 812 HG2 GLU 101 1HG GLU 101 8.739 -5.900 -4.491 813 HG3 GLU 101 2HG GLU 101 10.363 -5.820 -3.838 814 H ILE 102 H ILE 102 9.763 -10.209 -2.547 815 HA ILE 102 HA ILE 102 9.076 -8.593 -0.314 816 HB ILE 102 HB ILE 102 10.211 -10.559 0.903 817 HG12 ILE 102 1HG1 ILE 102 9.841 -12.092 -1.635 818 HG13 ILE 102 2HG1 ILE 102 11.318 -11.167 -1.452 819 HG21 ILE 102 1HG2 ILE 102 7.963 -10.679 1.114 820 HG22 ILE 102 2HG2 ILE 102 7.671 -10.466 -0.629 821 HG23 ILE 102 3HG2 ILE 102 8.168 -12.054 0.002 822 HD11 ILE 102 1HD1 ILE 102 11.222 -12.336 1.013 823 HD12 ILE 102 2HD1 ILE 102 10.387 -13.576 0.047 824 HD13 ILE 102 3HD1 ILE 102 12.039 -13.073 -0.386 825 H ASN 103 H ASN 103 10.484 -7.735 1.319 826 HA ASN 103 HA ASN 103 13.093 -7.107 0.198 827 HB2 ASN 103 1HB ASN 103 11.116 -5.434 1.247 828 HB3 ASN 103 2HB ASN 103 12.192 -5.621 2.618 829 HD21 ASN 103 1HD2 ASN 103 11.522 -3.539 0.390 830 HD22 ASN 103 2HD2 ASN 103 13.069 -2.912 -0.071 831 H THR 104 H THR 104 11.273 -8.499 2.926 832 HA THR 104 HA THR 104 13.558 -8.655 4.671 833 HB THR 104 HB THR 104 11.914 -9.798 6.143 834 HG1 THR 104 1HG THR 104 10.561 -11.007 4.847 835 HG21 THR 104 1HG2 THR 104 10.144 -7.794 4.754 836 HG22 THR 104 2HG2 THR 104 10.477 -7.990 6.491 837 HG23 THR 104 3HG2 THR 104 11.669 -7.186 5.441 838 H LYS 105 H LYS 105 13.927 -10.967 5.717 839 HA LYS 105 HA LYS 105 13.842 -13.062 3.741 840 HB2 LYS 105 1HB LYS 105 16.235 -11.431 4.140 841 HB3 LYS 105 2HB LYS 105 16.533 -13.128 4.455 842 HG2 LYS 105 1HG LYS 105 15.989 -13.784 2.266 843 HG3 LYS 105 2HG LYS 105 14.935 -12.410 1.998 844 HD2 LYS 105 1HD LYS 105 16.845 -11.898 0.691 845 HD3 LYS 105 2HD LYS 105 17.080 -10.944 2.142 846 HE2 LYS 105 1HE LYS 105 18.352 -13.162 2.981 847 HE3 LYS 105 2HE LYS 105 18.519 -13.447 1.260 848 HZ1 LYS 105 1HZ LYS 105 19.578 -11.349 1.024 849 HZ2 LYS 105 2HZ LYS 105 19.295 -10.940 2.580 850 HZ3 LYS 105 3HZ LYS 105 20.333 -12.151 2.230 851 H LYS 106 H LYS 106 14.719 -15.151 4.710 852 HA LYS 106 HA LYS 106 14.673 -16.655 6.324 853 HB2 LYS 106 1HB LYS 106 16.604 -15.397 7.171 854 HB3 LYS 106 2HB LYS 106 15.544 -14.354 8.098 855 HG2 LYS 106 1HG LYS 106 14.960 -17.181 8.631 856 HG3 LYS 106 2HG LYS 106 16.648 -16.823 8.932 857 HD2 LYS 106 1HD LYS 106 14.462 -15.004 10.006 858 HD3 LYS 106 2HD LYS 106 14.922 -16.456 10.872 859 HE2 LYS 106 1HE LYS 106 16.990 -15.611 11.484 860 HE3 LYS 106 2HE LYS 106 17.195 -14.722 9.988 861 HZ1 LYS 106 1HZ LYS 106 16.283 -13.766 12.416 862 HZ2 LYS 106 2HZ LYS 106 16.478 -12.936 11.022 863 HZ3 LYS 106 3HZ LYS 106 15.042 -13.635 11.362 864 H ILE 107 H ILE 107 13.227 -17.605 7.844 865 HA ILE 107 HA ILE 107 10.655 -16.501 7.798 866 HB ILE 107 HB ILE 107 11.828 -18.711 9.489 867 HG12 ILE 107 1HG1 ILE 107 10.135 -19.166 7.061 868 HG13 ILE 107 2HG1 ILE 107 11.818 -18.733 6.834 869 HG21 ILE 107 1HG2 ILE 107 9.487 -17.494 10.022 870 HG22 ILE 107 2HG2 ILE 107 8.942 -18.677 8.808 871 HG23 ILE 107 3HG2 ILE 107 9.777 -19.231 10.279 872 HD11 ILE 107 1HD1 ILE 107 10.636 -21.208 8.052 873 HD12 ILE 107 2HD1 ILE 107 12.067 -21.027 7.008 874 HD13 ILE 107 3HD1 ILE 107 12.169 -20.618 8.738 875 H ASN 108 H ASN 108 12.357 -17.368 10.863 876 HA ASN 108 HA ASN 108 12.210 -14.687 11.777 877 HB2 ASN 108 1HB ASN 108 9.996 -16.519 12.324 878 HB3 ASN 108 2HB ASN 108 10.797 -16.110 13.828 879 HD21 ASN 108 1HD2 ASN 108 8.761 -15.070 14.307 880 HD22 ASN 108 2HD2 ASN 108 8.463 -13.447 13.782 881 HA PRO 109 HA PRO 109 15.298 -16.490 14.318 882 HB2 PRO 109 1HB PRO 109 15.568 -14.615 16.288 883 HB3 PRO 109 2HB PRO 109 16.298 -14.453 14.703 884 HG2 PRO 109 1HG PRO 109 13.927 -13.070 15.802 885 HG3 PRO 109 2HG PRO 109 14.912 -12.631 14.421 886 HD2 PRO 109 1HD PRO 109 12.320 -13.856 14.359 887 HD3 PRO 109 2HD PRO 109 13.354 -13.522 12.985 888 H GLU 110 H GLU 110 12.478 -15.346 16.068 889 HA GLU 110 HA GLU 110 12.798 -17.736 17.710 890 HB2 GLU 110 1HB GLU 110 11.589 -15.104 18.656 891 HB3 GLU 110 2HB GLU 110 11.919 -16.520 19.633 892 HG2 GLU 110 1HG GLU 110 14.415 -16.103 18.602 893 HG3 GLU 110 2HG GLU 110 13.818 -14.456 18.576 894 H ASN 111 H ASN 111 10.103 -16.540 18.961 895 HA ASN 111 HA ASN 111 8.158 -16.425 17.120 896 HB2 ASN 111 1HB ASN 111 9.238 -19.122 17.226 897 HB3 ASN 111 2HB ASN 111 7.603 -19.160 17.855 898 HD21 ASN 111 1HD2 ASN 111 7.785 -20.528 15.720 899 HD22 ASN 111 2HD2 ASN 111 7.205 -19.741 14.290 900 H SER 112 H SER 112 5.917 -17.174 18.171 901 HA SER 112 HA SER 112 6.232 -17.225 21.067 902 HB2 SER 112 1HB SER 112 4.366 -15.654 21.307 903 HB3 SER 112 2HB SER 112 5.625 -14.931 20.325 904 HG SER 112 HG SER 112 3.221 -16.205 19.323 905 H LYS 113 H LYS 113 5.746 -19.459 21.234 906 HA LYS 113 HA LYS 113 3.038 -20.164 20.339 907 HB2 LYS 113 1HB LYS 113 4.187 -21.522 18.927 908 HB3 LYS 113 2HB LYS 113 5.632 -21.538 19.918 909 HG2 LYS 113 1HG LYS 113 3.196 -22.876 21.064 910 HG3 LYS 113 2HG LYS 113 3.966 -23.675 19.708 911 HD2 LYS 113 1HD LYS 113 5.901 -22.719 21.738 912 HD3 LYS 113 2HD LYS 113 4.756 -23.881 22.378 913 HE2 LYS 113 1HE LYS 113 5.934 -25.555 21.403 914 HE3 LYS 113 2HE LYS 113 5.549 -24.893 19.827 915 HZ1 LYS 113 1HZ LYS 113 7.914 -25.033 20.194 916 HZ2 LYS 113 2HZ LYS 113 7.467 -23.473 20.005 917 HZ3 LYS 113 3HZ LYS 113 7.817 -24.048 21.493 918 H LEU 114 H LEU 114 1.682 -20.998 21.879 919 HA LEU 114 HA LEU 114 2.912 -21.470 24.506 920 HB2 LEU 114 1HB LEU 114 0.258 -20.242 23.768 921 HB3 LEU 114 2HB LEU 114 0.633 -20.810 25.383 922 HG LEU 114 HG LEU 114 2.643 -18.966 24.257 923 HD11 LEU 114 1HD1 LEU 114 1.258 -17.417 23.469 924 HD12 LEU 114 2HD1 LEU 114 -0.174 -18.292 24.063 925 HD13 LEU 114 3HD1 LEU 114 0.697 -17.174 25.140 926 HD21 LEU 114 1HD2 LEU 114 2.721 -19.748 26.567 927 HD22 LEU 114 2HD2 LEU 114 2.500 -17.983 26.496 928 HD23 LEU 114 3HD2 LEU 114 1.118 -19.039 26.876 929 H SER 115 H SER 115 3.297 -23.698 23.662 930 HA SER 115 HA SER 115 1.236 -25.364 24.550 931 HB2 SER 115 1HB SER 115 1.049 -24.630 21.799 932 HB3 SER 115 2HB SER 115 1.647 -26.277 21.820 933 HG SER 115 HG SER 115 -0.224 -27.007 22.646 934 H ASP 116 H ASP 116 3.237 -25.823 25.821 935 HA ASP 116 HA ASP 116 5.014 -27.562 24.297 936 HB2 ASP 116 1HB ASP 116 5.722 -25.242 25.648 937 HB3 ASP 116 2HB ASP 116 6.014 -26.459 26.875 938 H LEU 117 H LEU 117 3.821 -29.499 24.849 939 HA LEU 117 HA LEU 117 3.334 -29.976 27.681 940 HB2 LEU 117 1HB LEU 117 2.162 -30.842 25.145 941 HB3 LEU 117 2HB LEU 117 2.417 -32.162 26.269 942 HG LEU 117 HG LEU 117 1.194 -29.836 27.555 943 HD11 LEU 117 1HD1 LEU 117 -0.751 -29.564 26.397 944 HD12 LEU 117 2HD1 LEU 117 0.351 -29.905 25.041 945 HD13 LEU 117 3HD1 LEU 117 -0.693 -31.195 25.685 946 HD21 LEU 117 1HD2 LEU 117 -0.167 -32.476 27.347 947 HD22 LEU 117 2HD2 LEU 117 1.413 -32.425 28.166 948 HD23 LEU 117 3HD2 LEU 117 0.073 -31.408 28.751 949 H ASP 118 H ASP 118 3.630 -32.613 28.064 950 HA ASP 118 HA ASP 118 6.349 -32.884 28.345 951 HB2 ASP 118 1HB ASP 118 4.796 -34.140 29.734 952 HB3 ASP 118 2HB ASP 118 4.080 -34.920 28.337 953 H SER 119 H SER 119 7.947 -33.668 26.933 954 HA SER 119 HA SER 119 7.604 -35.654 25.109 955 HB2 SER 119 1HB SER 119 6.466 -33.180 24.155 956 HB3 SER 119 2HB SER 119 7.893 -33.523 23.196 957 HG SER 119 HG SER 119 5.437 -34.706 23.078 958 H GLU 120 H GLU 120 9.705 -36.280 25.603 959 HA GLU 120 HA GLU 120 11.784 -34.852 24.374 960 HB2 GLU 120 1HB GLU 120 11.291 -34.377 27.266 961 HB3 GLU 120 2HB GLU 120 12.944 -34.816 26.882 962 HG2 GLU 120 1HG GLU 120 12.221 -32.961 24.869 963 HG3 GLU 120 2HG GLU 120 11.517 -32.310 26.336 964 H THR 121 H THR 121 12.404 -36.778 23.391 965 HA THR 121 HA THR 121 12.486 -39.240 24.796 966 HB THR 121 HB THR 121 12.160 -38.844 22.283 967 HG1 THR 121 1HG THR 121 12.940 -40.870 23.446 968 HG21 THR 121 1HG2 THR 121 15.191 -38.822 22.152 969 HG22 THR 121 2HG2 THR 121 14.016 -38.386 20.889 970 HG23 THR 121 3HG2 THR 121 14.315 -37.275 22.247 971 H ARG 122 H ARG 122 14.464 -40.593 25.068 972 HA ARG 122 HA ARG 122 16.822 -39.002 25.519 973 HB2 ARG 122 1HB ARG 122 15.236 -40.435 27.659 974 HB3 ARG 122 2HB ARG 122 16.982 -40.418 27.803 975 HG2 ARG 122 1HG ARG 122 15.792 -37.772 27.134 976 HG3 ARG 122 2HG ARG 122 15.303 -38.403 28.694 977 HD2 ARG 122 1HD ARG 122 17.269 -37.391 29.371 978 HD3 ARG 122 2HD ARG 122 17.954 -38.929 28.885 979 HE ARG 122 HE ARG 122 17.838 -37.241 26.580 980 HH11 ARG 122 2HH2 ARG 122 19.555 -37.494 29.641 981 HH12 ARG 122 1HH2 ARG 122 20.974 -36.689 29.058 982 HH21 ARG 122 2HH1 ARG 122 19.709 -36.180 25.810 983 HH22 ARG 122 1HH1 ARG 122 21.062 -35.937 26.864 984 H SER 123 H SER 123 18.796 -40.299 25.524 985 HA SER 123 HA SER 123 18.899 -43.008 25.670 986 HB2 SER 123 1HB SER 123 17.542 -42.371 23.330 987 HB3 SER 123 2HB SER 123 19.186 -42.561 22.754 988 HG SER 123 HG SER 123 18.784 -44.609 24.432 989 H MET 124 H MET 124 21.094 -43.680 25.564 990 HA MET 124 HA MET 124 22.959 -41.998 24.193 991 HB2 MET 124 1HB MET 124 22.550 -40.983 26.543 992 HB3 MET 124 2HB MET 124 23.239 -42.448 27.213 993 HG2 MET 124 1HG MET 124 25.146 -41.719 25.308 994 HG3 MET 124 2HG MET 124 24.596 -40.163 25.896 995 HE1 MET 124 1HE MET 124 27.566 -40.172 28.147 996 HE2 MET 124 2HE MET 124 26.986 -39.861 26.493 997 HE3 MET 124 3HE MET 124 26.144 -39.135 27.883 998 H VAL 125 H VAL 125 24.938 -43.080 23.737 999 HA VAL 125 HA VAL 125 25.125 -45.801 24.820 1000 HB VAL 125 HB VAL 125 25.734 -46.632 22.654 1001 HG11 VAL 125 1HG1 VAL 125 23.357 -46.637 23.164 1002 HG12 VAL 125 2HG1 VAL 125 23.188 -44.980 22.536 1003 HG13 VAL 125 3HG1 VAL 125 23.598 -46.313 21.430 1004 HG21 VAL 125 1HG2 VAL 125 26.890 -44.979 21.515 1005 HG22 VAL 125 2HG2 VAL 125 25.334 -44.984 20.651 1006 HG23 VAL 125 3HG2 VAL 125 25.672 -43.730 21.868 1007 H SER 126 H SER 126 27.547 -46.093 22.953 1008 HA SER 126 HA SER 126 29.365 -44.104 23.559 1009 HB2 SER 126 1HB SER 126 28.846 -45.856 25.779 1010 HB3 SER 126 2HB SER 126 30.451 -46.231 25.184 1011 HG SER 126 HG SER 126 29.531 -43.959 26.520 1012 H GLY 127 H GLY 127 31.746 -45.029 23.209 1013 HA2 GLY 127 1HA GLY 127 31.794 -47.509 21.683 1014 HA3 GLY 127 2HA GLY 127 32.102 -46.040 20.779 1015 HA PRO 128 HA PRO 128 35.617 -46.844 23.899 1016 HB2 PRO 128 1HB PRO 128 36.063 -49.462 24.547 1017 HB3 PRO 128 2HB PRO 128 35.179 -48.356 25.579 1018 HG2 PRO 128 1HG PRO 128 34.135 -50.529 23.869 1019 HG3 PRO 128 2HG PRO 128 33.350 -49.710 25.205 1020 HD2 PRO 128 1HD PRO 128 32.861 -49.293 22.409 1021 HD3 PRO 128 2HD PRO 128 32.162 -48.394 23.741 1022 H SER 129 H SER 129 37.875 -47.981 23.734 1023 HA SER 129 HA SER 129 38.195 -49.211 21.186 1024 HB2 SER 129 1HB SER 129 38.791 -46.327 21.597 1025 HB3 SER 129 2HB SER 129 40.103 -47.236 20.874 1026 HG SER 129 HG SER 129 37.610 -47.846 19.758 1027 H SER 130 H SER 130 40.675 -49.664 20.823 1028 HA SER 130 HA SER 130 42.302 -49.451 23.123 1029 HB2 SER 130 1HB SER 130 40.717 -51.418 23.635 1030 HB3 SER 130 2HB SER 130 41.505 -52.280 22.329 1031 HG SER 130 HG SER 130 42.825 -51.195 24.671 1032 H GLY 131 H GLY 131 44.447 -50.811 22.694 1033 HA2 GLY 131 1HA GLY 131 45.316 -50.131 20.047 1034 HA3 GLY 131 2HA GLY 131 46.258 -50.858 21.333 Start of MODEL 4 1 H1 GLY 1 H GLY 1 17.914 -26.924 0.595 2 HA2 GLY 1 1HA GLY 1 15.806 -25.956 1.033 3 HA3 GLY 1 2HA GLY 1 16.780 -25.659 2.459 4 H SER 2 H SER 2 17.546 -23.541 2.941 5 HA SER 2 HA SER 2 17.635 -21.369 2.882 6 HB2 SER 2 1HB SER 2 16.728 -21.353 -0.021 7 HB3 SER 2 2HB SER 2 17.665 -20.129 0.811 8 HG SER 2 HG SER 2 18.791 -21.805 -0.660 9 H SER 3 H SER 3 14.904 -22.276 0.640 10 HA SER 3 HA SER 3 13.231 -20.259 1.440 11 HB2 SER 3 1HB SER 3 13.134 -22.262 -0.424 12 HB3 SER 3 2HB SER 3 11.961 -22.868 0.728 13 HG SER 3 HG SER 3 10.766 -20.905 0.539 14 H GLY 4 H GLY 4 12.037 -19.896 3.286 15 HA2 GLY 4 1HA GLY 4 11.023 -22.094 4.853 16 HA3 GLY 4 2HA GLY 4 12.334 -21.226 5.627 17 H SER 5 H SER 5 12.115 -18.831 5.922 18 HA SER 5 HA SER 5 9.819 -18.168 7.159 19 HB2 SER 5 1HB SER 5 12.247 -16.874 6.431 20 HB3 SER 5 2HB SER 5 10.966 -15.799 5.907 21 HG SER 5 HG SER 5 10.592 -15.273 7.943 22 H SER 6 H SER 6 8.156 -16.432 6.549 23 HA SER 6 HA SER 6 7.742 -16.043 3.763 24 HB2 SER 6 1HB SER 6 6.606 -18.361 4.887 25 HB3 SER 6 2HB SER 6 5.283 -17.213 4.871 26 HG SER 6 HG SER 6 5.149 -18.037 2.847 27 H GLY 7 H GLY 7 6.981 -13.964 3.612 28 HA2 GLY 7 1HA GLY 7 4.782 -12.894 4.810 29 HA3 GLY 7 2HA GLY 7 6.062 -12.604 5.972 30 HA PRO 8 HA PRO 8 6.316 -9.744 2.231 31 HB2 PRO 8 1HB PRO 8 4.299 -7.922 2.514 32 HB3 PRO 8 2HB PRO 8 4.208 -9.290 1.422 33 HG2 PRO 8 1HG PRO 8 2.875 -8.913 4.034 34 HG3 PRO 8 2HG PRO 8 2.482 -10.043 2.754 35 HD2 PRO 8 1HD PRO 8 3.838 -10.636 5.211 36 HD3 PRO 8 2HD PRO 8 3.548 -11.740 3.881 37 H ASN 9 H ASN 9 6.007 -6.989 2.462 38 HA ASN 9 HA ASN 9 7.682 -6.633 4.816 39 HB2 ASN 9 1HB ASN 9 7.453 -4.961 2.258 40 HB3 ASN 9 2HB ASN 9 8.487 -4.547 3.611 41 HD21 ASN 9 1HD2 ASN 9 10.387 -4.703 2.530 42 HD22 ASN 9 2HD2 ASN 9 11.072 -6.185 1.953 43 H TYR 10 H TYR 10 4.775 -6.731 4.985 44 HA TYR 10 HA TYR 10 4.299 -4.116 6.092 45 HB2 TYR 10 1HB TYR 10 2.252 -3.811 4.669 46 HB3 TYR 10 2HB TYR 10 3.666 -3.943 3.642 47 HD1 TYR 10 1HD TYR 10 0.858 -5.962 5.062 48 HD2 TYR 10 2HD TYR 10 3.749 -5.559 1.934 49 HE1 TYR 10 1HE TYR 10 -0.233 -7.878 3.795 50 HE2 TYR 10 2HE TYR 10 2.648 -7.475 0.678 51 HH TYR 10 HH TYR 10 0.618 -9.606 2.065 52 H ARG 11 H ARG 11 1.995 -4.076 7.110 53 HA ARG 11 HA ARG 11 1.620 -6.714 8.256 54 HB2 ARG 11 1HB ARG 11 0.776 -3.947 9.255 55 HB3 ARG 11 2HB ARG 11 0.404 -5.441 10.091 56 HG2 ARG 11 1HG ARG 11 2.875 -5.940 10.234 57 HG3 ARG 11 2HG ARG 11 3.209 -4.398 9.472 58 HD2 ARG 11 1HD ARG 11 1.389 -3.933 11.675 59 HD3 ARG 11 2HD ARG 11 2.708 -4.928 12.259 60 HE ARG 11 HE ARG 11 3.732 -2.769 10.632 61 HH11 ARG 11 2HH2 ARG 11 2.401 -3.451 13.817 62 HH12 ARG 11 1HH2 ARG 11 3.205 -2.120 14.579 63 HH21 ARG 11 2HH1 ARG 11 4.794 -1.012 11.637 64 HH22 ARG 11 1HH1 ARG 11 4.575 -0.723 13.330 65 H TRP 12 H TRP 12 -0.523 -7.641 8.399 66 HA TRP 12 HA TRP 12 -2.733 -6.165 7.279 67 HB2 TRP 12 1HB TRP 12 -3.199 -7.582 5.458 68 HB3 TRP 12 2HB TRP 12 -1.532 -7.070 5.291 69 HD1 TRP 12 HD TRP 12 0.379 -9.007 5.677 70 HE1 TRP 12 1HE TRP 12 0.367 -11.642 5.551 71 HE3 TRP 12 3HE TRP 12 -4.673 -9.520 5.949 72 HZ2 TRP 12 2HZ TRP 12 -1.708 -13.602 5.578 73 HZ3 TRP 12 3HZ TRP 12 -5.610 -11.829 5.893 74 HH2 TRP 12 HH TRP 12 -4.216 -13.829 5.715 75 H THR 13 H THR 13 -4.534 -6.745 8.443 76 HA THR 13 HA THR 13 -4.466 -9.370 9.775 77 HB THR 13 HB THR 13 -5.158 -8.344 11.823 78 HG1 THR 13 1HG THR 13 -6.442 -6.540 11.638 79 HG21 THR 13 1HG2 THR 13 -2.772 -7.690 11.293 80 HG22 THR 13 2HG2 THR 13 -3.389 -6.224 10.493 81 HG23 THR 13 3HG2 THR 13 -3.623 -6.449 12.244 82 H GLN 14 H GLN 14 -7.055 -9.031 10.990 83 HA GLN 14 HA GLN 14 -9.008 -8.205 9.301 84 HB2 GLN 14 1HB GLN 14 -9.749 -10.442 8.296 85 HB3 GLN 14 2HB GLN 14 -8.349 -9.692 7.556 86 HG2 GLN 14 1HG GLN 14 -7.000 -11.151 9.341 87 HG3 GLN 14 2HG GLN 14 -8.466 -12.109 9.371 88 HE21 GLN 14 1HE2 GLN 14 -6.193 -13.262 8.547 89 HE22 GLN 14 2HE2 GLN 14 -6.198 -13.567 6.842 90 H THR 15 H THR 15 -11.195 -9.484 9.783 91 HA THR 15 HA THR 15 -11.029 -10.625 12.489 92 HB THR 15 HB THR 15 -11.691 -8.269 12.719 93 HG1 THR 15 1HG THR 15 -13.882 -8.786 13.549 94 HG21 THR 15 1HG2 THR 15 -12.568 -8.000 10.322 95 HG22 THR 15 2HG2 THR 15 -14.004 -8.924 10.826 96 HG23 THR 15 3HG2 THR 15 -13.647 -7.352 11.581 97 H LEU 16 H LEU 16 -11.087 -12.004 9.933 98 HA LEU 16 HA LEU 16 -12.126 -13.725 9.021 99 HB2 LEU 16 1HB LEU 16 -13.527 -13.576 11.657 100 HB3 LEU 16 2HB LEU 16 -14.147 -14.658 10.427 101 HG LEU 16 HG LEU 16 -11.236 -14.869 10.899 102 HD11 LEU 16 1HD1 LEU 16 -11.219 -15.707 13.033 103 HD12 LEU 16 2HD1 LEU 16 -12.456 -14.437 13.191 104 HD13 LEU 16 3HD1 LEU 16 -12.946 -16.138 13.002 105 HD21 LEU 16 1HD2 LEU 16 -13.548 -16.765 10.498 106 HD22 LEU 16 2HD2 LEU 16 -12.158 -16.449 9.432 107 HD23 LEU 16 3HD2 LEU 16 -11.925 -17.332 10.960 108 H ALA 17 H ALA 17 -13.131 -10.710 8.968 109 HA ALA 17 HA ALA 17 -15.350 -11.345 7.195 110 HB1 ALA 17 1HB ALA 17 -15.751 -10.387 9.822 111 HB2 ALA 17 2HB ALA 17 -15.964 -8.975 8.759 112 HB3 ALA 17 3HB ALA 17 -16.941 -10.440 8.500 113 H GLU 18 H GLU 18 -13.418 -8.651 8.696 114 HA GLU 18 HA GLU 18 -13.250 -7.526 6.015 115 HB2 GLU 18 1HB GLU 18 -12.849 -6.209 8.738 116 HB3 GLU 18 2HB GLU 18 -12.647 -5.389 7.202 117 HG2 GLU 18 1HG GLU 18 -15.029 -5.903 6.618 118 HG3 GLU 18 2HG GLU 18 -15.230 -6.712 8.159 119 H LEU 19 H LEU 19 -11.135 -6.550 5.363 120 HA LEU 19 HA LEU 19 -8.916 -7.972 6.662 121 HB2 LEU 19 1HB LEU 19 -9.788 -7.826 3.890 122 HB3 LEU 19 2HB LEU 19 -8.120 -7.319 4.079 123 HG LEU 19 HG LEU 19 -8.981 -9.864 5.399 124 HD11 LEU 19 1HD1 LEU 19 -9.901 -9.793 3.012 125 HD12 LEU 19 2HD1 LEU 19 -8.201 -9.845 2.485 126 HD13 LEU 19 3HD1 LEU 19 -8.872 -11.175 3.460 127 HD21 LEU 19 1HD2 LEU 19 -6.764 -9.273 5.876 128 HD22 LEU 19 2HD2 LEU 19 -6.636 -10.497 4.590 129 HD23 LEU 19 3HD2 LEU 19 -6.438 -8.771 4.200 130 H ASP 20 H ASP 20 -7.243 -6.762 7.435 131 HA ASP 20 HA ASP 20 -7.412 -3.919 6.818 132 HB2 ASP 20 1HB ASP 20 -6.925 -5.466 9.300 133 HB3 ASP 20 2HB ASP 20 -5.757 -4.182 9.057 134 H LEU 21 H LEU 21 -5.369 -2.810 6.353 135 HA LEU 21 HA LEU 21 -2.956 -4.397 6.315 136 HB2 LEU 21 1HB LEU 21 -3.642 -5.095 4.227 137 HB3 LEU 21 2HB LEU 21 -4.429 -3.576 3.847 138 HG LEU 21 HG LEU 21 -2.171 -2.506 3.659 139 HD11 LEU 21 1HD1 LEU 21 -0.480 -4.651 3.165 140 HD12 LEU 21 2HD1 LEU 21 -0.446 -3.571 4.580 141 HD13 LEU 21 3HD1 LEU 21 -1.334 -5.112 4.658 142 HD21 LEU 21 1HD2 LEU 21 -2.960 -2.896 1.569 143 HD22 LEU 21 2HD2 LEU 21 -1.577 -4.015 1.533 144 HD23 LEU 21 3HD2 LEU 21 -3.213 -4.633 1.860 145 H ALA 22 H ALA 22 -1.092 -3.116 6.454 146 HA ALA 22 HA ALA 22 -1.440 -0.242 6.180 147 HB1 ALA 22 1HB ALA 22 -0.358 -1.502 8.729 148 HB2 ALA 22 2HB ALA 22 -0.638 0.226 8.409 149 HB3 ALA 22 3HB ALA 22 -2.019 -0.887 8.555 150 H VAL 23 H VAL 23 0.193 0.396 4.873 151 HA VAL 23 HA VAL 23 2.727 -1.074 5.121 152 HB VAL 23 HB VAL 23 1.579 0.279 2.673 153 HG11 VAL 23 1HG1 VAL 23 3.412 -0.529 1.471 154 HG12 VAL 23 2HG1 VAL 23 4.139 0.004 3.006 155 HG13 VAL 23 3HG1 VAL 23 3.832 -1.726 2.720 156 HG21 VAL 23 1HG2 VAL 23 1.791 -2.522 2.287 157 HG22 VAL 23 2HG2 VAL 23 0.945 -2.277 3.834 158 HG23 VAL 23 3HG2 VAL 23 0.316 -1.528 2.347 159 HA PRO 24 HA PRO 24 3.873 2.992 6.394 160 HB2 PRO 24 1HB PRO 24 6.122 2.261 7.764 161 HB3 PRO 24 2HB PRO 24 4.531 2.320 8.496 162 HG2 PRO 24 1HG PRO 24 6.101 -0.042 7.662 163 HG3 PRO 24 2HG PRO 24 4.736 0.038 8.758 164 HD2 PRO 24 1HD PRO 24 4.705 -0.880 6.040 165 HD3 PRO 24 2HD PRO 24 3.321 -0.691 7.099 166 H PHE 25 H PHE 25 5.408 4.582 5.810 167 HA PHE 25 HA PHE 25 7.366 3.541 3.900 168 HB2 PHE 25 1HB PHE 25 5.398 5.893 3.652 169 HB3 PHE 25 2HB PHE 25 6.732 5.657 2.540 170 HD1 PHE 25 2HD PHE 25 6.435 2.546 2.546 171 HD2 PHE 25 1HD PHE 25 3.706 5.741 1.951 172 HE1 PHE 25 2HE PHE 25 4.995 1.053 1.133 173 HE2 PHE 25 1HE PHE 25 2.266 4.248 0.539 174 HZ PHE 25 HZ PHE 25 2.927 1.922 0.146 175 H ARG 26 H ARG 26 9.322 4.738 3.762 176 HA ARG 26 HA ARG 26 9.720 6.405 6.068 177 HB2 ARG 26 1HB ARG 26 11.388 4.704 4.325 178 HB3 ARG 26 2HB ARG 26 12.151 6.251 4.638 179 HG2 ARG 26 1HG ARG 26 10.946 5.109 7.074 180 HG3 ARG 26 2HG ARG 26 12.125 4.027 6.362 181 HD2 ARG 26 1HD ARG 26 13.667 5.292 7.487 182 HD3 ARG 26 2HD ARG 26 13.467 6.432 6.170 183 HE ARG 26 HE ARG 26 11.401 6.948 8.059 184 HH11 ARG 26 2HH2 ARG 26 14.907 7.151 7.842 185 HH12 ARG 26 1HH2 ARG 26 15.030 8.451 8.980 186 HH21 ARG 26 2HH1 ARG 26 11.562 8.663 9.560 187 HH22 ARG 26 1HH1 ARG 26 13.114 9.317 9.964 188 H VAL 27 H VAL 27 8.753 8.424 5.520 189 HA VAL 27 HA VAL 27 10.194 9.889 3.445 190 HB VAL 27 HB VAL 27 7.965 10.917 2.811 191 HG11 VAL 27 1HG1 VAL 27 8.572 9.683 1.034 192 HG12 VAL 27 2HG1 VAL 27 9.105 8.318 2.045 193 HG13 VAL 27 3HG1 VAL 27 7.385 8.496 1.625 194 HG21 VAL 27 1HG2 VAL 27 6.283 8.703 3.262 195 HG22 VAL 27 2HG2 VAL 27 7.060 9.046 4.826 196 HG23 VAL 27 3HG2 VAL 27 6.158 10.327 3.980 197 H SER 28 H SER 28 9.737 12.328 3.689 198 HA SER 28 HA SER 28 9.468 12.857 6.545 199 HB2 SER 28 1HB SER 28 11.616 13.428 4.790 200 HB3 SER 28 2HB SER 28 10.822 14.970 5.040 201 HG SER 28 HG SER 28 10.880 14.144 7.458 202 H PHE 29 H PHE 29 7.813 13.009 3.690 203 HA PHE 29 HA PHE 29 6.560 15.566 4.410 204 HB2 PHE 29 1HB PHE 29 5.917 15.475 1.883 205 HB3 PHE 29 2HB PHE 29 7.610 15.771 2.226 206 HD1 PHE 29 2HD PHE 29 5.185 13.255 1.078 207 HD2 PHE 29 1HD PHE 29 9.292 14.166 1.639 208 HE1 PHE 29 2HE PHE 29 5.816 11.277 -0.331 209 HE2 PHE 29 1HE PHE 29 9.923 12.187 0.229 210 HZ PHE 29 HZ PHE 29 8.177 10.766 -0.739 211 H ARG 30 H ARG 30 4.188 15.656 3.542 212 HA ARG 30 HA ARG 30 2.949 13.274 4.544 213 HB2 ARG 30 1HB ARG 30 2.168 16.122 4.104 214 HB3 ARG 30 2HB ARG 30 0.874 14.972 3.836 215 HG2 ARG 30 1HG ARG 30 0.763 14.356 6.060 216 HG3 ARG 30 2HG ARG 30 2.495 14.483 6.295 217 HD2 ARG 30 1HD ARG 30 2.326 16.970 6.339 218 HD3 ARG 30 2HD ARG 30 0.601 16.871 6.045 219 HE ARG 30 HE ARG 30 1.225 15.272 8.339 220 HH11 ARG 30 2HH2 ARG 30 1.075 18.647 7.355 221 HH12 ARG 30 1HH2 ARG 30 0.739 19.231 8.951 222 HH21 ARG 30 2HH1 ARG 30 0.782 16.041 10.445 223 HH22 ARG 30 1HH1 ARG 30 0.572 17.739 10.720 224 H LEU 31 H LEU 31 2.606 11.623 3.079 225 HA LEU 31 HA LEU 31 2.539 12.066 0.301 226 HB2 LEU 31 1HB LEU 31 2.081 9.756 2.138 227 HB3 LEU 31 2HB LEU 31 1.570 9.617 0.467 228 HG LEU 31 HG LEU 31 4.384 10.420 1.221 229 HD11 LEU 31 1HD1 LEU 31 4.379 7.732 0.361 230 HD12 LEU 31 2HD1 LEU 31 4.809 8.376 1.964 231 HD13 LEU 31 3HD1 LEU 31 3.137 7.863 1.630 232 HD21 LEU 31 1HD2 LEU 31 4.905 9.581 -1.045 233 HD22 LEU 31 2HD2 LEU 31 3.169 9.288 -1.314 234 HD23 LEU 31 3HD2 LEU 31 3.763 10.946 -1.056 235 H LYS 32 H LYS 32 0.901 12.613 -1.053 236 HA LYS 32 HA LYS 32 -1.713 12.964 0.176 237 HB2 LYS 32 1HB LYS 32 -2.168 14.510 -1.529 238 HB3 LYS 32 2HB LYS 32 -0.495 14.803 -1.096 239 HG2 LYS 32 1HG LYS 32 -0.616 12.751 -3.161 240 HG3 LYS 32 2HG LYS 32 -1.540 14.149 -3.675 241 HD2 LYS 32 1HD LYS 32 1.362 14.167 -2.720 242 HD3 LYS 32 2HD LYS 32 0.820 14.375 -4.373 243 HE2 LYS 32 1HE LYS 32 -0.587 16.391 -3.410 244 HE3 LYS 32 2HE LYS 32 0.487 16.278 -2.030 245 HZ1 LYS 32 1HZ LYS 32 1.161 16.903 -4.797 246 HZ2 LYS 32 2HZ LYS 32 1.555 17.715 -3.437 247 HZ3 LYS 32 3HZ LYS 32 2.307 16.311 -3.796 248 H GLY 33 H GLY 33 -3.591 12.570 -1.588 249 HA2 GLY 33 1HA GLY 33 -3.613 9.743 -1.992 250 HA3 GLY 33 2HA GLY 33 -4.860 10.897 -2.422 251 H LYS 34 H LYS 34 -2.374 12.413 -3.816 252 HA LYS 34 HA LYS 34 -2.692 10.911 -6.313 253 HB2 LYS 34 1HB LYS 34 -2.647 12.900 -7.471 254 HB3 LYS 34 2HB LYS 34 -3.474 13.380 -6.003 255 HG2 LYS 34 1HG LYS 34 -0.771 13.713 -5.337 256 HG3 LYS 34 2HG LYS 34 -0.824 14.205 -7.019 257 HD2 LYS 34 1HD LYS 34 -2.839 15.241 -4.982 258 HD3 LYS 34 2HD LYS 34 -1.294 16.028 -5.232 259 HE2 LYS 34 1HE LYS 34 -1.896 16.872 -7.294 260 HE3 LYS 34 2HE LYS 34 -2.800 15.439 -7.738 261 HZ1 LYS 34 1HZ LYS 34 -3.858 17.096 -5.607 262 HZ2 LYS 34 2HZ LYS 34 -3.990 17.648 -7.138 263 HZ3 LYS 34 3HZ LYS 34 -4.654 16.214 -6.728 264 H ASP 35 H ASP 35 -0.713 10.746 -3.824 265 HA ASP 35 HA ASP 35 1.690 10.885 -5.467 266 HB2 ASP 35 1HB ASP 35 1.110 11.830 -2.820 267 HB3 ASP 35 2HB ASP 35 2.228 10.493 -2.636 268 H VAL 36 H VAL 36 -0.650 8.862 -3.976 269 HA VAL 36 HA VAL 36 1.239 6.609 -3.934 270 HB VAL 36 HB VAL 36 0.627 6.404 -1.813 271 HG11 VAL 36 1HG1 VAL 36 -1.644 8.312 -2.435 272 HG12 VAL 36 2HG1 VAL 36 -1.357 7.622 -0.819 273 HG13 VAL 36 3HG1 VAL 36 -0.123 8.656 -1.577 274 HG21 VAL 36 1HG2 VAL 36 -2.004 5.641 -3.111 275 HG22 VAL 36 2HG2 VAL 36 -0.666 4.570 -2.633 276 HG23 VAL 36 3HG2 VAL 36 -1.645 5.382 -1.387 277 H VAL 37 H VAL 37 0.053 4.447 -4.382 278 HA VAL 37 HA VAL 37 -2.124 4.868 -6.292 279 HB VAL 37 HB VAL 37 0.398 3.270 -6.772 280 HG11 VAL 37 1HG1 VAL 37 -0.541 2.297 -8.607 281 HG12 VAL 37 2HG1 VAL 37 -2.023 2.502 -7.643 282 HG13 VAL 37 3HG1 VAL 37 -1.625 3.673 -8.923 283 HG21 VAL 37 1HG2 VAL 37 0.826 4.837 -8.588 284 HG22 VAL 37 2HG2 VAL 37 -0.675 5.718 -8.214 285 HG23 VAL 37 3HG2 VAL 37 0.669 5.715 -7.047 286 H VAL 38 H VAL 38 -3.712 3.983 -4.982 287 HA VAL 38 HA VAL 38 -3.160 1.268 -4.005 288 HB VAL 38 HB VAL 38 -4.841 3.534 -2.972 289 HG11 VAL 38 1HG1 VAL 38 -5.324 0.599 -2.656 290 HG12 VAL 38 2HG1 VAL 38 -5.538 1.644 -1.231 291 HG13 VAL 38 3HG1 VAL 38 -6.479 1.952 -2.710 292 HG21 VAL 38 1HG2 VAL 38 -2.570 1.845 -1.959 293 HG22 VAL 38 2HG2 VAL 38 -2.768 3.614 -1.943 294 HG23 VAL 38 3HG2 VAL 38 -3.690 2.605 -0.803 295 H ASP 39 H ASP 39 -3.813 -0.068 -5.656 296 HA ASP 39 HA ASP 39 -6.344 0.585 -6.909 297 HB2 ASP 39 1HB ASP 39 -3.955 -0.262 -7.985 298 HB3 ASP 39 2HB ASP 39 -4.773 -1.800 -7.797 299 H ILE 40 H ILE 40 -7.995 -0.275 -5.587 300 HA ILE 40 HA ILE 40 -7.568 -2.943 -4.476 301 HB ILE 40 HB ILE 40 -9.642 -0.831 -3.876 302 HG12 ILE 40 1HG1 ILE 40 -7.282 -1.749 -2.209 303 HG13 ILE 40 2HG1 ILE 40 -7.293 -0.297 -3.190 304 HG21 ILE 40 1HG2 ILE 40 -9.507 -2.733 -1.803 305 HG22 ILE 40 2HG2 ILE 40 -10.848 -2.437 -2.936 306 HG23 ILE 40 3HG2 ILE 40 -9.609 -3.657 -3.321 307 HD11 ILE 40 1HD1 ILE 40 -9.471 -0.797 -1.132 308 HD12 ILE 40 2HD1 ILE 40 -7.916 -0.060 -0.677 309 HD13 ILE 40 3HD1 ILE 40 -8.970 0.747 -1.862 310 H GLN 41 H GLN 41 -7.963 -4.417 -6.094 311 HA GLN 41 HA GLN 41 -10.373 -3.991 -7.650 312 HB2 GLN 41 1HB GLN 41 -7.804 -5.465 -8.066 313 HB3 GLN 41 2HB GLN 41 -9.230 -6.206 -8.764 314 HG2 GLN 41 1HG GLN 41 -8.475 -3.280 -9.202 315 HG3 GLN 41 2HG GLN 41 -8.008 -4.569 -10.293 316 HE21 GLN 41 1HE2 GLN 41 -9.504 -5.579 -11.580 317 HE22 GLN 41 2HE2 GLN 41 -11.111 -4.988 -11.837 318 H ARG 42 H ARG 42 -11.423 -6.322 -8.283 319 HA ARG 42 HA ARG 42 -12.605 -7.186 -5.951 320 HB2 ARG 42 1HB ARG 42 -13.534 -7.371 -8.315 321 HB3 ARG 42 2HB ARG 42 -12.429 -8.699 -8.605 322 HG2 ARG 42 1HG ARG 42 -14.532 -9.695 -7.981 323 HG3 ARG 42 2HG ARG 42 -13.464 -9.901 -6.607 324 HD2 ARG 42 1HD ARG 42 -15.195 -8.992 -5.407 325 HD3 ARG 42 2HD ARG 42 -14.574 -7.460 -5.991 326 HE ARG 42 HE ARG 42 -16.960 -8.895 -7.011 327 HH11 ARG 42 2HH2 ARG 42 -14.734 -6.193 -7.366 328 HH12 ARG 42 1HH2 ARG 42 -15.804 -5.279 -8.377 329 HH21 ARG 42 2HH1 ARG 42 -18.371 -7.690 -8.345 330 HH22 ARG 42 1HH1 ARG 42 -17.887 -6.136 -8.937 331 H ARG 43 H ARG 43 -10.136 -8.781 -8.095 332 HA ARG 43 HA ARG 43 -9.412 -10.377 -5.774 333 HB2 ARG 43 1HB ARG 43 -10.584 -11.419 -8.058 334 HB3 ARG 43 2HB ARG 43 -8.885 -11.584 -8.455 335 HG2 ARG 43 1HG ARG 43 -8.470 -12.838 -6.370 336 HG3 ARG 43 2HG ARG 43 -10.120 -12.574 -5.842 337 HD2 ARG 43 1HD ARG 43 -10.959 -14.230 -7.199 338 HD3 ARG 43 2HD ARG 43 -9.924 -13.795 -8.544 339 HE ARG 43 HE ARG 43 -8.360 -14.966 -6.411 340 HH11 ARG 43 2HH2 ARG 43 -10.581 -15.801 -9.010 341 HH12 ARG 43 1HH2 ARG 43 -9.962 -17.407 -9.196 342 HH21 ARG 43 2HH1 ARG 43 -7.542 -17.086 -6.656 343 HH22 ARG 43 1HH1 ARG 43 -8.221 -18.143 -7.848 344 H HIS 44 H HIS 44 -8.102 -8.038 -6.048 345 HA HIS 44 HA HIS 44 -5.462 -8.795 -6.477 346 HB2 HIS 44 1HB HIS 44 -6.740 -8.230 -8.891 347 HB3 HIS 44 2HB HIS 44 -5.888 -6.746 -8.514 348 HD1 HIS 44 1HD HIS 44 -3.238 -7.601 -7.426 349 HD2 HIS 44 2HD HIS 44 -5.132 -9.676 -10.541 350 HE1 HIS 44 1HE HIS 44 -1.402 -8.877 -8.655 351 H LEU 45 H LEU 45 -4.111 -7.341 -5.423 352 HA LEU 45 HA LEU 45 -5.301 -4.747 -4.758 353 HB2 LEU 45 1HB LEU 45 -5.616 -6.375 -2.909 354 HB3 LEU 45 2HB LEU 45 -3.877 -6.566 -2.811 355 HG LEU 45 HG LEU 45 -3.595 -4.255 -2.139 356 HD11 LEU 45 1HD1 LEU 45 -6.291 -3.974 -3.201 357 HD12 LEU 45 2HD1 LEU 45 -6.123 -3.252 -1.583 358 HD13 LEU 45 3HD1 LEU 45 -5.040 -2.744 -2.901 359 HD21 LEU 45 1HD2 LEU 45 -4.039 -4.716 -0.001 360 HD22 LEU 45 2HD2 LEU 45 -5.788 -4.855 -0.297 361 HD23 LEU 45 3HD2 LEU 45 -4.720 -6.246 -0.602 362 H ARG 46 H ARG 46 -4.022 -3.169 -5.541 363 HA ARG 46 HA ARG 46 -1.176 -3.779 -5.625 364 HB2 ARG 46 1HB ARG 46 -2.595 -3.446 -7.856 365 HB3 ARG 46 2HB ARG 46 -2.468 -1.742 -7.468 366 HG2 ARG 46 1HG ARG 46 0.031 -1.965 -7.360 367 HG3 ARG 46 2HG ARG 46 -0.109 -3.661 -7.778 368 HD2 ARG 46 1HD ARG 46 -1.061 -1.336 -9.523 369 HD3 ARG 46 2HD ARG 46 0.413 -2.250 -9.776 370 HE ARG 46 HE ARG 46 -1.928 -3.981 -9.635 371 HH11 ARG 46 2HH2 ARG 46 -0.067 -1.888 -11.767 372 HH12 ARG 46 1HH2 ARG 46 -0.592 -2.682 -13.214 373 HH21 ARG 46 2HH1 ARG 46 -2.621 -5.028 -11.545 374 HH22 ARG 46 1HH1 ARG 46 -2.054 -4.480 -13.087 375 H VAL 47 H VAL 47 -0.044 -2.531 -4.170 376 HA VAL 47 HA VAL 47 -0.997 0.211 -3.747 377 HB VAL 47 HB VAL 47 -0.175 -1.835 -1.682 378 HG11 VAL 47 1HG1 VAL 47 0.882 0.003 -0.790 379 HG12 VAL 47 2HG1 VAL 47 -0.231 1.159 -1.560 380 HG13 VAL 47 3HG1 VAL 47 -0.755 0.234 -0.132 381 HG21 VAL 47 1HG2 VAL 47 -2.346 -1.865 -0.976 382 HG22 VAL 47 2HG2 VAL 47 -2.648 -0.180 -1.462 383 HG23 VAL 47 3HG2 VAL 47 -2.630 -1.470 -2.688 384 H GLY 48 H GLY 48 0.679 1.756 -3.280 385 HA2 GLY 48 1HA GLY 48 3.289 1.434 -2.781 386 HA3 GLY 48 2HA GLY 48 3.215 1.015 -4.481 387 H LEU 49 H LEU 49 4.582 3.328 -3.296 388 HA LEU 49 HA LEU 49 2.943 5.616 -3.800 389 HB2 LEU 49 1HB LEU 49 5.928 5.416 -3.384 390 HB3 LEU 49 2HB LEU 49 4.959 6.874 -3.314 391 HG LEU 49 HG LEU 49 5.347 6.327 -1.080 392 HD11 LEU 49 1HD1 LEU 49 2.668 5.010 -1.557 393 HD12 LEU 49 2HD1 LEU 49 3.210 5.932 -0.134 394 HD13 LEU 49 3HD1 LEU 49 2.933 6.765 -1.682 395 HD21 LEU 49 1HD2 LEU 49 4.429 3.480 -1.344 396 HD22 LEU 49 2HD2 LEU 49 6.098 3.930 -1.766 397 HD23 LEU 49 3HD2 LEU 49 5.484 4.229 -0.122 398 H LYS 50 H LYS 50 2.632 6.681 -5.694 399 HA LYS 50 HA LYS 50 3.087 5.643 -8.106 400 HB2 LYS 50 1HB LYS 50 2.009 7.950 -7.190 401 HB3 LYS 50 2HB LYS 50 3.447 8.590 -7.959 402 HG2 LYS 50 1HG LYS 50 2.866 7.595 -10.093 403 HG3 LYS 50 2HG LYS 50 1.605 6.615 -9.371 404 HD2 LYS 50 1HD LYS 50 0.383 8.746 -8.736 405 HD3 LYS 50 2HD LYS 50 1.606 9.662 -9.594 406 HE2 LYS 50 1HE LYS 50 0.722 7.586 -11.374 407 HE3 LYS 50 2HE LYS 50 -0.716 8.298 -10.670 408 HZ1 LYS 50 1HZ LYS 50 0.713 9.344 -12.688 409 HZ2 LYS 50 2HZ LYS 50 -0.374 10.163 -11.785 410 HZ3 LYS 50 3HZ LYS 50 1.216 10.241 -11.419 411 H GLY 51 H GLY 51 4.763 5.215 -9.464 412 HA2 GLY 51 1HA GLY 51 6.817 5.529 -10.442 413 HA3 GLY 51 2HA GLY 51 7.240 6.714 -9.223 414 H GLN 52 H GLN 52 6.596 5.154 -6.855 415 HA GLN 52 HA GLN 52 8.987 3.633 -6.771 416 HB2 GLN 52 1HB GLN 52 6.953 4.630 -4.843 417 HB3 GLN 52 2HB GLN 52 7.708 3.117 -4.381 418 HG2 GLN 52 1HG GLN 52 9.663 5.077 -5.414 419 HG3 GLN 52 2HG GLN 52 8.791 5.679 -4.019 420 HE21 GLN 52 1HE2 GLN 52 8.619 4.225 -2.138 421 HE22 GLN 52 2HE2 GLN 52 9.972 3.228 -1.719 422 HA PRO 53 HA PRO 53 7.325 -0.352 -7.232 423 HB2 PRO 53 1HB PRO 53 8.624 -1.887 -5.382 424 HB3 PRO 53 2HB PRO 53 9.353 -1.388 -6.896 425 HG2 PRO 53 1HG PRO 53 9.854 -0.360 -4.170 426 HG3 PRO 53 2HG PRO 53 10.844 -0.191 -5.606 427 HD2 PRO 53 1HD PRO 53 9.153 1.812 -4.442 428 HD3 PRO 53 2HD PRO 53 10.052 1.941 -5.941 429 HA PRO 54 HA PRO 54 3.979 -0.764 -4.622 430 HB2 PRO 54 1HB PRO 54 2.624 -2.725 -5.958 431 HB3 PRO 54 2HB PRO 54 2.511 -1.027 -6.376 432 HG2 PRO 54 1HG PRO 54 3.973 -3.185 -7.770 433 HG3 PRO 54 2HG PRO 54 3.496 -1.612 -8.377 434 HD2 PRO 54 1HD PRO 54 6.123 -2.406 -7.541 435 HD3 PRO 54 2HD PRO 54 5.621 -0.802 -8.038 436 H VAL 55 H VAL 55 4.071 -1.539 -2.620 437 HA VAL 55 HA VAL 55 5.600 -3.843 -2.117 438 HB VAL 55 HB VAL 55 3.523 -2.559 -0.340 439 HG11 VAL 55 1HG1 VAL 55 6.059 -3.530 0.804 440 HG12 VAL 55 2HG1 VAL 55 4.384 -3.753 1.364 441 HG13 VAL 55 3HG1 VAL 55 5.044 -4.804 0.088 442 HG21 VAL 55 1HG2 VAL 55 6.319 -1.665 -1.051 443 HG22 VAL 55 2HG2 VAL 55 4.813 -0.717 -1.012 444 HG23 VAL 55 3HG2 VAL 55 5.574 -1.241 0.509 445 H VAL 56 H VAL 56 2.165 -3.250 -2.823 446 HA VAL 56 HA VAL 56 1.731 -6.146 -2.553 447 HB VAL 56 HB VAL 56 -0.323 -3.954 -2.225 448 HG11 VAL 56 1HG1 VAL 56 -0.459 -6.876 -1.418 449 HG12 VAL 56 2HG1 VAL 56 -1.774 -5.676 -1.396 450 HG13 VAL 56 3HG1 VAL 56 -1.105 -6.235 -2.948 451 HG21 VAL 56 1HG2 VAL 56 -0.098 -4.039 0.099 452 HG22 VAL 56 2HG2 VAL 56 0.809 -5.570 0.057 453 HG23 VAL 56 3HG2 VAL 56 1.588 -4.059 -0.472 454 H ASP 57 H ASP 57 0.781 -7.211 -4.295 455 HA ASP 57 HA ASP 57 -0.603 -5.936 -6.302 456 HB2 ASP 57 1HB ASP 57 1.527 -4.886 -6.929 457 HB3 ASP 57 2HB ASP 57 2.350 -6.433 -6.893 458 H GLY 58 H GLY 58 -0.682 -8.330 -4.661 459 HA2 GLY 58 1HA GLY 58 -0.156 -10.480 -6.621 460 HA3 GLY 58 2HA GLY 58 -0.187 -10.674 -4.879 461 H GLU 59 H GLU 59 -1.769 -12.316 -6.522 462 HA GLU 59 HA GLU 59 -4.355 -11.228 -6.800 463 HB2 GLU 59 1HB GLU 59 -3.702 -13.017 -8.275 464 HB3 GLU 59 2HB GLU 59 -3.237 -14.053 -6.940 465 HG2 GLU 59 1HG GLU 59 -5.518 -14.404 -6.267 466 HG3 GLU 59 2HG GLU 59 -6.097 -13.056 -7.225 467 H LEU 60 H LEU 60 -5.507 -10.607 -5.011 468 HA LEU 60 HA LEU 60 -5.125 -11.360 -2.449 469 HB2 LEU 60 1HB LEU 60 -7.645 -10.576 -3.903 470 HB3 LEU 60 2HB LEU 60 -7.596 -10.811 -2.167 471 HG LEU 60 HG LEU 60 -5.790 -8.861 -3.615 472 HD11 LEU 60 1HD1 LEU 60 -7.881 -7.980 -4.116 473 HD12 LEU 60 2HD1 LEU 60 -8.590 -8.506 -2.570 474 HD13 LEU 60 3HD1 LEU 60 -7.443 -7.145 -2.606 475 HD21 LEU 60 1HD2 LEU 60 -5.825 -7.829 -1.245 476 HD22 LEU 60 2HD2 LEU 60 -6.413 -9.427 -0.725 477 HD23 LEU 60 3HD2 LEU 60 -4.835 -9.280 -1.536 478 H TYR 61 H TYR 61 -6.395 -12.794 -0.976 479 HA TYR 61 HA TYR 61 -6.193 -15.424 -1.687 480 HB2 TYR 61 1HB TYR 61 -6.493 -14.396 0.616 481 HB3 TYR 61 2HB TYR 61 -8.139 -13.960 0.203 482 HD1 TYR 61 2HD TYR 61 -9.889 -15.714 -0.013 483 HD2 TYR 61 1HD TYR 61 -5.918 -16.649 1.276 484 HE1 TYR 61 2HE TYR 61 -10.700 -17.949 0.886 485 HE2 TYR 61 1HE TYR 61 -6.742 -18.882 2.171 486 HH TYR 61 HH TYR 61 -9.329 -20.332 1.286 487 H ASN 62 H ASN 62 -8.900 -13.153 -2.222 488 HA ASN 62 HA ASN 62 -9.955 -14.771 -4.215 489 HB2 ASN 62 1HB ASN 62 -10.704 -15.856 -1.854 490 HB3 ASN 62 2HB ASN 62 -11.917 -14.593 -1.917 491 HD21 ASN 62 1HD2 ASN 62 -13.374 -16.433 -1.991 492 HD22 ASN 62 2HD2 ASN 62 -13.772 -17.161 -3.511 493 H GLU 63 H GLU 63 -12.526 -13.863 -4.496 494 HA GLU 63 HA GLU 63 -12.246 -11.228 -5.138 495 HB2 GLU 63 1HB GLU 63 -14.706 -12.935 -4.616 496 HB3 GLU 63 2HB GLU 63 -14.841 -11.276 -5.165 497 HG2 GLU 63 1HG GLU 63 -13.396 -11.830 -7.146 498 HG3 GLU 63 2HG GLU 63 -13.308 -13.494 -6.604 499 H VAL 64 H VAL 64 -12.993 -9.234 -4.197 500 HA VAL 64 HA VAL 64 -14.006 -9.356 -1.485 501 HB VAL 64 HB VAL 64 -12.219 -7.715 -0.772 502 HG11 VAL 64 1HG1 VAL 64 -10.765 -9.425 -0.010 503 HG12 VAL 64 2HG1 VAL 64 -12.365 -10.189 -0.169 504 HG13 VAL 64 3HG1 VAL 64 -11.120 -10.463 -1.411 505 HG21 VAL 64 1HG2 VAL 64 -10.564 -8.885 -3.012 506 HG22 VAL 64 2HG2 VAL 64 -11.461 -7.360 -3.210 507 HG23 VAL 64 3HG2 VAL 64 -10.203 -7.497 -1.958 508 H LYS 65 H LYS 65 -15.411 -7.679 -1.082 509 HA LYS 65 HA LYS 65 -16.359 -6.188 -3.210 510 HB2 LYS 65 1HB LYS 65 -17.281 -6.790 -0.765 511 HB3 LYS 65 2HB LYS 65 -16.724 -5.162 -0.431 512 HG2 LYS 65 1HG LYS 65 -18.429 -4.226 -1.617 513 HG3 LYS 65 2HG LYS 65 -18.155 -5.277 -2.993 514 HD2 LYS 65 1HD LYS 65 -19.477 -7.066 -1.994 515 HD3 LYS 65 2HD LYS 65 -19.568 -6.224 -0.460 516 HE2 LYS 65 1HE LYS 65 -20.974 -4.475 -1.404 517 HE3 LYS 65 2HE LYS 65 -20.694 -5.043 -3.038 518 HZ1 LYS 65 1HZ LYS 65 -21.708 -7.197 -2.166 519 HZ2 LYS 65 2HZ LYS 65 -22.293 -6.288 -0.942 520 HZ3 LYS 65 3HZ LYS 65 -22.709 -5.947 -2.484 521 H VAL 66 H VAL 66 -15.117 -4.819 -4.395 522 HA VAL 66 HA VAL 66 -13.020 -3.324 -3.153 523 HB VAL 66 HB VAL 66 -12.487 -2.629 -5.328 524 HG11 VAL 66 1HG1 VAL 66 -12.092 -5.016 -4.937 525 HG12 VAL 66 2HG1 VAL 66 -13.715 -5.397 -5.560 526 HG13 VAL 66 3HG1 VAL 66 -12.485 -4.707 -6.645 527 HG21 VAL 66 1HG2 VAL 66 -14.812 -1.851 -5.899 528 HG22 VAL 66 2HG2 VAL 66 -13.945 -2.653 -7.231 529 HG23 VAL 66 3HG2 VAL 66 -15.203 -3.534 -6.330 530 H GLU 67 H GLU 67 -16.385 -2.763 -4.239 531 HA GLU 67 HA GLU 67 -16.323 -0.011 -4.159 532 HB2 GLU 67 1HB GLU 67 -18.315 -2.125 -4.337 533 HB3 GLU 67 2HB GLU 67 -18.907 -0.843 -3.299 534 HG2 GLU 67 1HG GLU 67 -17.787 0.614 -5.375 535 HG3 GLU 67 2HG GLU 67 -18.358 -0.809 -6.224 536 H GLU 68 H GLU 68 -17.012 -2.446 -1.579 537 HA GLU 68 HA GLU 68 -17.499 -0.395 0.331 538 HB2 GLU 68 1HB GLU 68 -17.166 -3.414 0.576 539 HB3 GLU 68 2HB GLU 68 -17.528 -2.377 1.942 540 HG2 GLU 68 1HG GLU 68 -19.353 -1.689 -0.184 541 HG3 GLU 68 2HG GLU 68 -19.349 -3.435 -0.033 542 H SER 69 H SER 69 -14.738 -1.193 -1.213 543 HA SER 69 HA SER 69 -13.021 -1.569 1.015 544 HB2 SER 69 1HB SER 69 -11.344 -1.886 -0.556 545 HB3 SER 69 2HB SER 69 -12.747 -2.251 -1.541 546 HG SER 69 HG SER 69 -11.251 0.222 -1.448 547 H SER 70 H SER 70 -11.129 0.001 1.420 548 HA SER 70 HA SER 70 -11.420 2.659 0.571 549 HB2 SER 70 1HB SER 70 -11.966 3.685 2.770 550 HB3 SER 70 2HB SER 70 -13.284 2.703 2.161 551 HG SER 70 HG SER 70 -12.398 2.493 4.541 552 H TRP 71 H TRP 71 -9.444 3.731 0.872 553 HA TRP 71 HA TRP 71 -7.572 2.484 2.758 554 HB2 TRP 71 1HB TRP 71 -5.815 2.486 1.200 555 HB3 TRP 71 2HB TRP 71 -7.173 1.704 0.416 556 HD1 TRP 71 HD TRP 71 -8.390 3.141 -1.610 557 HE1 TRP 71 1HE TRP 71 -7.556 5.046 -3.236 558 HE3 TRP 71 3HE TRP 71 -4.325 4.445 1.153 559 HZ2 TRP 71 2HZ TRP 71 -5.340 6.843 -3.184 560 HZ3 TRP 71 3HZ TRP 71 -2.879 6.285 0.294 561 HH2 TRP 71 HH TRP 71 -3.331 7.470 -1.795 562 H LEU 72 H LEU 72 -5.774 4.051 3.340 563 HA LEU 72 HA LEU 72 -6.224 6.808 2.700 564 HB2 LEU 72 1HB LEU 72 -6.917 7.621 4.736 565 HB3 LEU 72 2HB LEU 72 -7.910 6.195 4.512 566 HG LEU 72 HG LEU 72 -5.620 5.326 5.925 567 HD11 LEU 72 1HD1 LEU 72 -6.795 7.621 7.462 568 HD12 LEU 72 2HD1 LEU 72 -5.253 6.762 7.694 569 HD13 LEU 72 3HD1 LEU 72 -5.444 7.897 6.336 570 HD21 LEU 72 1HD2 LEU 72 -7.566 5.411 7.813 571 HD22 LEU 72 2HD2 LEU 72 -8.538 5.533 6.327 572 HD23 LEU 72 3HD2 LEU 72 -7.433 4.157 6.557 573 H ILE 73 H ILE 73 -4.549 8.194 3.980 574 HA ILE 73 HA ILE 73 -2.115 6.565 4.177 575 HB ILE 73 HB ILE 73 -2.437 9.473 3.426 576 HG12 ILE 73 1HG1 ILE 73 -1.580 7.196 1.630 577 HG13 ILE 73 2HG1 ILE 73 -3.253 7.701 1.769 578 HG21 ILE 73 1HG2 ILE 73 0.089 7.880 3.110 579 HG22 ILE 73 2HG2 ILE 73 -0.143 9.642 3.201 580 HG23 ILE 73 3HG2 ILE 73 -0.303 8.647 4.668 581 HD11 ILE 73 1HD1 ILE 73 -2.548 9.020 -0.025 582 HD12 ILE 73 2HD1 ILE 73 -2.249 10.131 1.333 583 HD13 ILE 73 3HD1 ILE 73 -0.902 9.207 0.625 584 H GLU 74 H GLU 74 -1.512 6.187 6.236 585 HA GLU 74 HA GLU 74 -2.485 7.934 8.279 586 HB2 GLU 74 1HB GLU 74 -1.225 5.239 8.129 587 HB3 GLU 74 2HB GLU 74 -0.826 6.156 9.568 588 HG2 GLU 74 1HG GLU 74 -3.665 6.448 9.030 589 HG3 GLU 74 2HG GLU 74 -3.256 4.744 8.999 590 H ASP 75 H ASP 75 -1.175 9.190 9.731 591 HA ASP 75 HA ASP 75 0.369 10.696 10.069 592 HB2 ASP 75 1HB ASP 75 1.843 8.091 9.786 593 HB3 ASP 75 2HB ASP 75 2.825 9.540 9.862 594 H GLY 76 H GLY 76 -0.518 10.393 7.226 595 HA2 GLY 76 1HA GLY 76 0.067 10.940 5.115 596 HA3 GLY 76 2HA GLY 76 1.024 12.182 5.897 597 H LYS 77 H LYS 77 1.518 8.615 6.133 598 HA LYS 77 HA LYS 77 3.731 8.731 4.293 599 HB2 LYS 77 1HB LYS 77 5.422 8.029 5.898 600 HB3 LYS 77 2HB LYS 77 4.777 9.602 6.324 601 HG2 LYS 77 1HG LYS 77 3.162 8.393 7.916 602 HG3 LYS 77 2HG LYS 77 4.064 6.924 7.602 603 HD2 LYS 77 1HD LYS 77 5.772 9.252 8.313 604 HD3 LYS 77 2HD LYS 77 4.667 8.770 9.585 605 HE2 LYS 77 1HE LYS 77 5.946 6.961 10.081 606 HE3 LYS 77 2HE LYS 77 5.836 6.380 8.432 607 HZ1 LYS 77 1HZ LYS 77 8.039 7.417 9.643 608 HZ2 LYS 77 2HZ LYS 77 7.877 7.080 8.054 609 HZ3 LYS 77 3HZ LYS 77 7.574 8.587 8.603 610 H VAL 78 H VAL 78 2.055 6.866 6.911 611 HA VAL 78 HA VAL 78 2.633 4.387 5.596 612 HB VAL 78 HB VAL 78 0.797 5.057 7.905 613 HG11 VAL 78 1HG1 VAL 78 0.422 2.852 6.681 614 HG12 VAL 78 2HG1 VAL 78 2.037 2.372 7.256 615 HG13 VAL 78 3HG1 VAL 78 0.749 2.744 8.427 616 HG21 VAL 78 1HG2 VAL 78 3.743 4.468 7.738 617 HG22 VAL 78 2HG2 VAL 78 2.882 5.698 8.694 618 HG23 VAL 78 3HG2 VAL 78 2.818 3.987 9.180 619 H VAL 79 H VAL 79 1.135 3.007 4.524 620 HA VAL 79 HA VAL 79 -1.299 4.407 3.653 621 HB VAL 79 HB VAL 79 0.732 2.772 2.172 622 HG11 VAL 79 1HG1 VAL 79 -1.152 2.961 0.280 623 HG12 VAL 79 2HG1 VAL 79 -1.022 1.553 1.361 624 HG13 VAL 79 3HG1 VAL 79 -2.215 2.829 1.702 625 HG21 VAL 79 1HG2 VAL 79 1.098 5.091 1.954 626 HG22 VAL 79 2HG2 VAL 79 0.248 4.623 0.461 627 HG23 VAL 79 3HG2 VAL 79 -0.639 5.438 1.772 628 H THR 80 H THR 80 -3.083 3.499 4.523 629 HA THR 80 HA THR 80 -2.938 0.644 5.207 630 HB THR 80 HB THR 80 -4.961 1.352 6.666 631 HG1 THR 80 1HG THR 80 -5.506 3.350 5.733 632 HG21 THR 80 1HG2 THR 80 -3.522 2.753 8.270 633 HG22 THR 80 2HG2 THR 80 -2.822 1.178 7.824 634 HG23 THR 80 3HG2 THR 80 -2.226 2.668 7.053 635 H VAL 81 H VAL 81 -4.729 -0.755 4.736 636 HA VAL 81 HA VAL 81 -6.530 0.277 2.678 637 HB VAL 81 HB VAL 81 -4.926 -2.275 2.430 638 HG11 VAL 81 1HG1 VAL 81 -6.564 -2.864 1.023 639 HG12 VAL 81 2HG1 VAL 81 -7.298 -1.244 1.076 640 HG13 VAL 81 3HG1 VAL 81 -5.968 -1.582 -0.058 641 HG21 VAL 81 1HG2 VAL 81 -3.365 -0.548 2.059 642 HG22 VAL 81 2HG2 VAL 81 -3.915 -1.021 0.433 643 HG23 VAL 81 3HG2 VAL 81 -4.551 0.458 1.193 644 H HIS 82 H HIS 82 -8.582 -0.724 2.664 645 HA HIS 82 HA HIS 82 -8.953 -2.708 4.786 646 HB2 HIS 82 1HB HIS 82 -9.846 -0.815 5.782 647 HB3 HIS 82 2HB HIS 82 -10.427 -0.149 4.269 648 HD1 HIS 82 1HD HIS 82 -11.176 -3.443 6.114 649 HD2 HIS 82 2HD HIS 82 -13.144 -0.208 4.310 650 HE1 HIS 82 1HE HIS 82 -13.674 -3.919 6.325 651 H LEU 83 H LEU 83 -9.204 -4.569 3.607 652 HA LEU 83 HA LEU 83 -10.827 -4.430 1.194 653 HB2 LEU 83 1HB LEU 83 -9.219 -6.730 2.308 654 HB3 LEU 83 2HB LEU 83 -9.968 -6.639 0.727 655 HG LEU 83 HG LEU 83 -7.778 -6.182 0.215 656 HD11 LEU 83 1HD1 LEU 83 -7.677 -4.009 -0.581 657 HD12 LEU 83 2HD1 LEU 83 -9.426 -4.263 -0.372 658 HD13 LEU 83 3HD1 LEU 83 -8.511 -3.334 0.840 659 HD21 LEU 83 1HD2 LEU 83 -7.240 -4.249 2.428 660 HD22 LEU 83 2HD2 LEU 83 -7.299 -5.986 2.813 661 HD23 LEU 83 3HD2 LEU 83 -6.147 -5.382 1.598 662 H GLU 84 H GLU 84 -12.758 -5.603 0.913 663 HA GLU 84 HA GLU 84 -13.834 -6.612 3.431 664 HB2 GLU 84 1HB GLU 84 -14.837 -4.479 2.235 665 HB3 GLU 84 2HB GLU 84 -15.575 -5.642 1.152 666 HG2 GLU 84 1HG GLU 84 -17.227 -5.903 2.685 667 HG3 GLU 84 2HG GLU 84 -16.062 -6.710 3.715 668 H LYS 85 H LYS 85 -14.298 -8.771 3.486 669 HA LYS 85 HA LYS 85 -13.884 -10.335 1.156 670 HB2 LYS 85 1HB LYS 85 -14.911 -11.047 3.919 671 HB3 LYS 85 2HB LYS 85 -14.533 -12.214 2.668 672 HG2 LYS 85 1HG LYS 85 -12.190 -11.520 2.621 673 HG3 LYS 85 2HG LYS 85 -12.517 -10.153 3.667 674 HD2 LYS 85 1HD LYS 85 -13.069 -11.639 5.543 675 HD3 LYS 85 2HD LYS 85 -12.968 -13.052 4.511 676 HE2 LYS 85 1HE LYS 85 -10.518 -12.421 4.061 677 HE3 LYS 85 2HE LYS 85 -10.676 -11.201 5.309 678 HZ1 LYS 85 1HZ LYS 85 -10.736 -12.754 6.904 679 HZ2 LYS 85 2HZ LYS 85 -11.559 -13.850 6.016 680 HZ3 LYS 85 3HZ LYS 85 -9.950 -13.670 5.804 681 H ILE 86 H ILE 86 -15.350 -11.320 -0.222 682 HA ILE 86 HA ILE 86 -17.853 -10.075 -0.479 683 HB ILE 86 HB ILE 86 -16.601 -12.506 -1.742 684 HG12 ILE 86 1HG1 ILE 86 -15.577 -10.318 -2.247 685 HG13 ILE 86 2HG1 ILE 86 -16.290 -11.074 -3.658 686 HG21 ILE 86 1HG2 ILE 86 -18.522 -12.056 -3.472 687 HG22 ILE 86 2HG2 ILE 86 -18.809 -13.074 -2.040 688 HG23 ILE 86 3HG2 ILE 86 -19.362 -11.382 -2.055 689 HD11 ILE 86 1HD1 ILE 86 -18.443 -9.660 -2.937 690 HD12 ILE 86 2HD1 ILE 86 -17.221 -8.656 -2.120 691 HD13 ILE 86 3HD1 ILE 86 -17.131 -8.912 -3.879 692 H ASN 87 H ASN 87 -16.853 -13.348 0.712 693 HA ASN 87 HA ASN 87 -19.570 -13.850 1.477 694 HB2 ASN 87 1HB ASN 87 -16.976 -15.422 1.472 695 HB3 ASN 87 2HB ASN 87 -18.285 -15.982 2.494 696 HD21 ASN 87 1HD2 ASN 87 -17.088 -15.593 -0.707 697 HD22 ASN 87 2HD2 ASN 87 -18.348 -16.410 -1.570 698 H LYS 88 H LYS 88 -16.388 -12.961 2.849 699 HA LYS 88 HA LYS 88 -15.677 -12.616 4.931 700 HB2 LYS 88 1HB LYS 88 -17.040 -10.987 6.189 701 HB3 LYS 88 2HB LYS 88 -16.855 -10.556 4.501 702 HG2 LYS 88 1HG LYS 88 -19.099 -11.414 3.974 703 HG3 LYS 88 2HG LYS 88 -19.283 -12.049 5.597 704 HD2 LYS 88 1HD LYS 88 -18.717 -9.439 6.195 705 HD3 LYS 88 2HD LYS 88 -19.474 -9.220 4.630 706 HE2 LYS 88 1HE LYS 88 -21.230 -11.004 5.775 707 HE3 LYS 88 2HE LYS 88 -20.673 -10.155 7.204 708 HZ1 LYS 88 1HZ LYS 88 -22.431 -8.911 6.415 709 HZ2 LYS 88 2HZ LYS 88 -21.139 -8.080 5.863 710 HZ3 LYS 88 3HZ LYS 88 -21.991 -9.034 4.848 711 H MET 89 H MET 89 -16.055 -15.169 4.962 712 HA MET 89 HA MET 89 -17.170 -15.636 7.545 713 HB2 MET 89 1HB MET 89 -18.730 -17.419 6.789 714 HB3 MET 89 2HB MET 89 -19.158 -15.902 6.022 715 HG2 MET 89 1HG MET 89 -19.085 -17.086 4.066 716 HG3 MET 89 2HG MET 89 -17.345 -16.918 4.194 717 HE1 MET 89 1HE MET 89 -19.689 -19.326 3.138 718 HE2 MET 89 2HE MET 89 -18.043 -19.139 2.487 719 HE3 MET 89 3HE MET 89 -18.555 -20.698 3.177 720 H GLU 90 H GLU 90 -14.562 -15.750 5.977 721 HA GLU 90 HA GLU 90 -13.789 -18.301 6.993 722 HB2 GLU 90 1HB GLU 90 -14.508 -19.010 4.778 723 HB3 GLU 90 2HB GLU 90 -13.636 -17.698 4.012 724 HG2 GLU 90 1HG GLU 90 -11.754 -18.955 3.917 725 HG3 GLU 90 2HG GLU 90 -11.761 -19.145 5.660 726 H TRP 91 H TRP 91 -11.811 -18.043 7.952 727 HA TRP 91 HA TRP 91 -10.474 -15.558 7.719 728 HB2 TRP 91 1HB TRP 91 -10.176 -16.378 9.798 729 HB3 TRP 91 2HB TRP 91 -10.193 -18.052 9.278 730 HD1 TRP 91 HD TRP 91 -7.775 -19.042 8.332 731 HE1 TRP 91 1HE TRP 91 -5.259 -18.420 8.826 732 HE3 TRP 91 3HE TRP 91 -8.748 -14.457 10.304 733 HZ2 TRP 91 2HZ TRP 91 -3.986 -16.131 9.960 734 HZ3 TRP 91 3HZ TRP 91 -6.811 -13.093 11.081 735 HH2 TRP 91 HH TRP 91 -4.496 -13.862 10.934 736 H TRP 92 H TRP 92 -8.500 -15.075 6.654 737 HA TRP 92 HA TRP 92 -7.907 -16.876 4.452 738 HB2 TRP 92 1HB TRP 92 -7.124 -14.028 5.073 739 HB3 TRP 92 2HB TRP 92 -6.456 -14.933 3.730 740 HD1 TRP 92 HD TRP 92 -10.081 -15.779 4.194 741 HE1 TRP 92 1HE TRP 92 -11.640 -14.601 2.421 742 HE3 TRP 92 3HE TRP 92 -6.553 -12.556 2.455 743 HZ2 TRP 92 2HZ TRP 92 -11.233 -12.501 0.533 744 HZ3 TRP 92 3HZ TRP 92 -7.217 -10.974 0.646 745 HH2 TRP 92 HH TRP 92 -9.465 -10.913 -0.312 746 H ASN 93 H ASN 93 -5.665 -17.552 4.026 747 HA ASN 93 HA ASN 93 -4.117 -17.611 6.497 748 HB2 ASN 93 1HB ASN 93 -5.156 -19.824 5.457 749 HB3 ASN 93 2HB ASN 93 -3.858 -19.688 4.288 750 HD21 ASN 93 1HD2 ASN 93 -3.412 -21.818 5.345 751 HD22 ASN 93 2HD2 ASN 93 -2.341 -21.847 6.706 752 H ARG 94 H ARG 94 -4.273 -15.854 3.859 753 HA ARG 94 HA ARG 94 -1.579 -15.313 3.714 754 HB2 ARG 94 1HB ARG 94 -1.468 -16.012 1.118 755 HB3 ARG 94 2HB ARG 94 -0.986 -17.128 2.380 756 HG2 ARG 94 1HG ARG 94 -2.501 -18.563 1.463 757 HG3 ARG 94 2HG ARG 94 -3.719 -17.586 2.260 758 HD2 ARG 94 1HD ARG 94 -3.926 -16.160 0.219 759 HD3 ARG 94 2HD ARG 94 -2.685 -17.105 -0.578 760 HE ARG 94 HE ARG 94 -5.463 -17.837 -0.294 761 HH11 ARG 94 2HH2 ARG 94 -2.231 -19.226 -0.340 762 HH12 ARG 94 1HH2 ARG 94 -2.767 -20.778 -0.892 763 HH21 ARG 94 2HH1 ARG 94 -6.171 -19.883 -1.022 764 HH22 ARG 94 1HH1 ARG 94 -5.024 -21.154 -1.283 765 H LEU 95 H LEU 95 -1.523 -13.166 3.086 766 HA LEU 95 HA LEU 95 -3.790 -11.788 2.380 767 HB2 LEU 95 1HB LEU 95 -1.755 -10.829 3.354 768 HB3 LEU 95 2HB LEU 95 -0.902 -11.082 1.844 769 HG LEU 95 HG LEU 95 -1.569 -8.754 2.113 770 HD11 LEU 95 1HD1 LEU 95 -3.324 -9.835 -0.079 771 HD12 LEU 95 2HD1 LEU 95 -2.293 -8.384 -0.063 772 HD13 LEU 95 3HD1 LEU 95 -1.554 -10.000 -0.153 773 HD21 LEU 95 1HD2 LEU 95 -3.643 -9.352 3.485 774 HD22 LEU 95 2HD2 LEU 95 -3.774 -7.991 2.347 775 HD23 LEU 95 3HD2 LEU 95 -4.465 -9.575 1.923 776 H VAL 96 H VAL 96 -1.141 -13.044 0.249 777 HA VAL 96 HA VAL 96 -3.031 -12.743 -1.983 778 HB VAL 96 HB VAL 96 -0.917 -12.546 -3.374 779 HG11 VAL 96 1HG1 VAL 96 -2.405 -10.604 -1.896 780 HG12 VAL 96 2HG1 VAL 96 -0.703 -10.083 -1.944 781 HG13 VAL 96 3HG1 VAL 96 -1.574 -10.418 -3.459 782 HG21 VAL 96 1HG2 VAL 96 0.245 -12.340 -0.605 783 HG22 VAL 96 2HG2 VAL 96 0.857 -13.210 -2.032 784 HG23 VAL 96 3HG2 VAL 96 0.978 -11.436 -1.952 785 H THR 97 H THR 97 -2.219 -14.291 -3.890 786 HA THR 97 HA THR 97 -1.612 -16.886 -2.631 787 HB THR 97 HB THR 97 -3.134 -17.835 -4.389 788 HG1 THR 97 1HG THR 97 -3.008 -16.231 -6.008 789 HG21 THR 97 1HG2 THR 97 -5.216 -17.140 -3.452 790 HG22 THR 97 2HG2 THR 97 -4.064 -16.853 -2.126 791 HG23 THR 97 3HG2 THR 97 -4.620 -15.494 -3.133 792 H SER 98 H SER 98 -0.995 -14.585 -5.256 793 HA SER 98 HA SER 98 1.102 -16.414 -6.135 794 HB2 SER 98 1HB SER 98 -0.571 -14.437 -7.735 795 HB3 SER 98 2HB SER 98 0.910 -15.133 -8.363 796 HG SER 98 HG SER 98 -0.240 -17.283 -7.665 797 H ASP 99 H ASP 99 0.733 -13.969 -4.122 798 HA ASP 99 HA ASP 99 1.872 -12.253 -3.439 799 HB2 ASP 99 1HB ASP 99 4.057 -12.798 -3.126 800 HB3 ASP 99 2HB ASP 99 3.730 -14.219 -4.098 801 HA PRO 100 HA PRO 100 2.285 -9.200 -6.571 802 HB2 PRO 100 1HB PRO 100 4.276 -7.523 -5.741 803 HB3 PRO 100 2HB PRO 100 2.653 -7.482 -5.083 804 HG2 PRO 100 1HG PRO 100 5.120 -8.561 -3.863 805 HG3 PRO 100 2HG PRO 100 3.611 -8.126 -3.086 806 HD2 PRO 100 1HD PRO 100 4.528 -10.776 -3.690 807 HD3 PRO 100 2HD PRO 100 2.971 -10.333 -3.019 808 H GLU 101 H GLU 101 5.724 -9.159 -5.880 809 HA GLU 101 HA GLU 101 6.155 -10.487 -8.408 810 HB2 GLU 101 1HB GLU 101 7.070 -7.661 -7.764 811 HB3 GLU 101 2HB GLU 101 7.905 -8.642 -8.952 812 HG2 GLU 101 1HG GLU 101 5.285 -8.996 -9.746 813 HG3 GLU 101 2HG GLU 101 5.212 -7.368 -9.101 814 H ILE 102 H ILE 102 7.674 -8.806 -5.571 815 HA ILE 102 HA ILE 102 9.703 -10.929 -5.577 816 HB ILE 102 HB ILE 102 9.871 -8.165 -4.375 817 HG12 ILE 102 1HG1 ILE 102 11.223 -9.143 -6.900 818 HG13 ILE 102 2HG1 ILE 102 9.712 -8.255 -6.909 819 HG21 ILE 102 1HG2 ILE 102 11.299 -9.617 -3.168 820 HG22 ILE 102 2HG2 ILE 102 11.858 -10.426 -4.652 821 HG23 ILE 102 3HG2 ILE 102 12.333 -8.743 -4.324 822 HD11 ILE 102 1HD1 ILE 102 10.722 -6.266 -6.382 823 HD12 ILE 102 2HD1 ILE 102 11.842 -7.029 -5.229 824 HD13 ILE 102 3HD1 ILE 102 12.192 -7.076 -6.973 825 H ASN 103 H ASN 103 10.479 -11.571 -3.342 826 HA ASN 103 HA ASN 103 8.861 -10.992 -1.144 827 HB2 ASN 103 1HB ASN 103 7.616 -12.820 -2.808 828 HB3 ASN 103 2HB ASN 103 8.533 -13.901 -1.777 829 HD21 ASN 103 1HD2 ASN 103 5.785 -11.971 -2.107 830 HD22 ASN 103 2HD2 ASN 103 5.163 -12.056 -0.492 831 H THR 104 H THR 104 10.632 -13.774 -2.712 832 HA THR 104 HA THR 104 12.200 -15.157 -1.882 833 HB THR 104 HB THR 104 14.265 -13.998 -1.758 834 HG1 THR 104 1HG THR 104 13.802 -12.884 0.235 835 HG21 THR 104 1HG2 THR 104 14.113 -11.947 -3.104 836 HG22 THR 104 2HG2 THR 104 12.951 -13.125 -3.758 837 HG23 THR 104 3HG2 THR 104 12.380 -11.789 -2.731 838 H LYS 105 H LYS 105 14.003 -14.989 0.282 839 HA LYS 105 HA LYS 105 12.105 -15.504 2.439 840 HB2 LYS 105 1HB LYS 105 13.700 -16.974 3.345 841 HB3 LYS 105 2HB LYS 105 13.738 -17.269 1.619 842 HG2 LYS 105 1HG LYS 105 15.624 -15.256 1.856 843 HG3 LYS 105 2HG LYS 105 15.827 -16.091 3.383 844 HD2 LYS 105 1HD LYS 105 16.392 -18.153 2.333 845 HD3 LYS 105 2HD LYS 105 15.679 -17.681 0.804 846 HE2 LYS 105 1HE LYS 105 17.918 -15.949 1.794 847 HE3 LYS 105 2HE LYS 105 18.364 -17.572 1.307 848 HZ1 LYS 105 1HZ LYS 105 18.458 -16.420 -0.640 849 HZ2 LYS 105 2HZ LYS 105 16.939 -17.012 -0.738 850 HZ3 LYS 105 3HZ LYS 105 17.182 -15.457 -0.304 851 H LYS 106 H LYS 106 12.233 -12.841 2.024 852 HA LYS 106 HA LYS 106 13.729 -11.979 4.363 853 HB2 LYS 106 1HB LYS 106 15.161 -11.617 2.306 854 HB3 LYS 106 2HB LYS 106 13.950 -10.485 1.739 855 HG2 LYS 106 1HG LYS 106 14.451 -9.766 4.450 856 HG3 LYS 106 2HG LYS 106 16.025 -10.094 3.755 857 HD2 LYS 106 1HD LYS 106 14.841 -8.634 1.723 858 HD3 LYS 106 2HD LYS 106 14.101 -7.907 3.136 859 HE2 LYS 106 1HE LYS 106 16.055 -6.915 3.804 860 HE3 LYS 106 2HE LYS 106 17.007 -8.349 3.477 861 HZ1 LYS 106 1HZ LYS 106 17.423 -6.375 2.030 862 HZ2 LYS 106 2HZ LYS 106 17.162 -7.778 1.236 863 HZ3 LYS 106 3HZ LYS 106 15.980 -6.655 1.319 864 H ILE 107 H ILE 107 12.268 -11.054 5.686 865 HA ILE 107 HA ILE 107 9.763 -10.172 4.576 866 HB ILE 107 HB ILE 107 10.794 -10.224 7.414 867 HG12 ILE 107 1HG1 ILE 107 8.750 -12.142 6.383 868 HG13 ILE 107 2HG1 ILE 107 10.420 -12.411 5.924 869 HG21 ILE 107 1HG2 ILE 107 7.911 -10.030 6.547 870 HG22 ILE 107 2HG2 ILE 107 8.619 -9.755 8.157 871 HG23 ILE 107 3HG2 ILE 107 8.913 -8.589 6.844 872 HD11 ILE 107 1HD1 ILE 107 9.957 -11.765 8.809 873 HD12 ILE 107 2HD1 ILE 107 9.355 -13.342 8.245 874 HD13 ILE 107 3HD1 ILE 107 11.079 -12.933 8.071 875 H ASN 108 H ASN 108 12.204 -8.636 6.795 876 HA ASN 108 HA ASN 108 12.402 -6.371 5.174 877 HB2 ASN 108 1HB ASN 108 10.112 -6.386 6.880 878 HB3 ASN 108 2HB ASN 108 11.268 -5.336 7.676 879 HD21 ASN 108 1HD2 ASN 108 9.836 -3.608 7.243 880 HD22 ASN 108 2HD2 ASN 108 9.787 -2.829 5.697 881 HA PRO 109 HA PRO 109 15.774 -6.025 7.957 882 HB2 PRO 109 1HB PRO 109 16.609 -3.457 7.532 883 HB3 PRO 109 2HB PRO 109 17.005 -4.784 6.458 884 HG2 PRO 109 1HG PRO 109 15.043 -2.607 6.069 885 HG3 PRO 109 2HG PRO 109 15.754 -3.672 4.871 886 HD2 PRO 109 1HD PRO 109 13.109 -3.845 5.967 887 HD3 PRO 109 2HD PRO 109 13.860 -4.975 4.858 888 H GLU 110 H GLU 110 13.447 -3.412 8.164 889 HA GLU 110 HA GLU 110 12.656 -2.312 9.860 890 HB2 GLU 110 1HB GLU 110 12.267 -4.823 10.565 891 HB3 GLU 110 2HB GLU 110 13.490 -4.503 11.778 892 HG2 GLU 110 1HG GLU 110 12.123 -3.097 12.994 893 HG3 GLU 110 2HG GLU 110 11.374 -2.411 11.566 894 H ASN 111 H ASN 111 13.711 -0.461 10.432 895 HA ASN 111 HA ASN 111 15.843 -0.721 12.343 896 HB2 ASN 111 1HB ASN 111 17.247 0.957 10.984 897 HB3 ASN 111 2HB ASN 111 17.175 -0.665 10.324 898 HD21 ASN 111 1HD2 ASN 111 15.880 -1.116 8.529 899 HD22 ASN 111 2HD2 ASN 111 15.342 0.114 7.435 900 H SER 112 H SER 112 14.574 0.435 13.885 901 HA SER 112 HA SER 112 14.417 3.222 13.485 902 HB2 SER 112 1HB SER 112 12.319 2.229 12.301 903 HB3 SER 112 2HB SER 112 11.734 1.862 13.911 904 HG SER 112 HG SER 112 11.175 4.042 12.829 905 H LYS 113 H LYS 113 13.252 4.249 15.533 906 HA LYS 113 HA LYS 113 14.089 2.620 17.813 907 HB2 LYS 113 1HB LYS 113 13.729 5.611 17.482 908 HB3 LYS 113 2HB LYS 113 14.082 4.833 19.012 909 HG2 LYS 113 1HG LYS 113 16.229 4.092 18.290 910 HG3 LYS 113 2HG LYS 113 15.829 4.275 16.594 911 HD2 LYS 113 1HD LYS 113 15.741 6.744 18.321 912 HD3 LYS 113 2HD LYS 113 17.318 6.096 17.913 913 HE2 LYS 113 1HE LYS 113 17.104 7.322 15.994 914 HE3 LYS 113 2HE LYS 113 16.084 6.007 15.448 915 HZ1 LYS 113 1HZ LYS 113 14.401 7.503 16.897 916 HZ2 LYS 113 2HZ LYS 113 15.351 8.645 16.220 917 HZ3 LYS 113 3HZ LYS 113 14.554 7.580 15.273 918 H LEU 114 H LEU 114 12.691 3.460 19.905 919 HA LEU 114 HA LEU 114 9.883 3.556 19.154 920 HB2 LEU 114 1HB LEU 114 9.775 1.330 19.355 921 HB3 LEU 114 2HB LEU 114 11.263 1.220 20.275 922 HG LEU 114 HG LEU 114 9.939 2.098 22.275 923 HD11 LEU 114 1HD1 LEU 114 7.676 2.313 22.253 924 HD12 LEU 114 2HD1 LEU 114 8.007 2.741 20.557 925 HD13 LEU 114 3HD1 LEU 114 7.454 1.100 20.970 926 HD21 LEU 114 1HD2 LEU 114 8.621 -0.418 21.892 927 HD22 LEU 114 2HD2 LEU 114 10.259 -0.503 21.202 928 HD23 LEU 114 3HD2 LEU 114 10.033 -0.026 22.902 929 H SER 115 H SER 115 9.226 5.392 20.137 930 HA SER 115 HA SER 115 10.196 5.776 22.862 931 HB2 SER 115 1HB SER 115 9.850 7.706 20.577 932 HB3 SER 115 2HB SER 115 9.541 8.299 22.197 933 HG SER 115 HG SER 115 11.659 8.534 22.347 934 H ASP 116 H ASP 116 8.282 4.447 23.499 935 HA ASP 116 HA ASP 116 5.885 6.100 23.425 936 HB2 ASP 116 1HB ASP 116 6.038 3.787 22.044 937 HB3 ASP 116 2HB ASP 116 5.672 3.097 23.612 938 H LEU 117 H LEU 117 6.319 6.897 25.586 939 HA LEU 117 HA LEU 117 6.488 4.824 27.656 940 HB2 LEU 117 1HB LEU 117 7.444 7.678 27.553 941 HB3 LEU 117 2HB LEU 117 7.285 6.800 29.061 942 HG LEU 117 HG LEU 117 8.805 5.298 27.063 943 HD11 LEU 117 1HD1 LEU 117 10.824 6.719 27.154 944 HD12 LEU 117 2HD1 LEU 117 9.481 7.481 26.269 945 HD13 LEU 117 3HD1 LEU 117 9.863 8.003 27.927 946 HD21 LEU 117 1HD2 LEU 117 8.549 5.039 29.650 947 HD22 LEU 117 2HD2 LEU 117 10.110 4.698 28.866 948 HD23 LEU 117 3HD2 LEU 117 9.856 6.245 29.709 949 H ASP 118 H ASP 118 5.445 5.688 29.833 950 HA ASP 118 HA ASP 118 3.277 7.434 29.546 951 HB2 ASP 118 1HB ASP 118 2.468 5.293 28.350 952 HB3 ASP 118 2HB ASP 118 2.529 4.500 29.912 953 H SER 119 H SER 119 1.868 7.283 31.685 954 HA SER 119 HA SER 119 2.870 5.746 33.797 955 HB2 SER 119 1HB SER 119 4.119 8.375 33.342 956 HB3 SER 119 2HB SER 119 3.407 8.253 34.939 957 HG SER 119 HG SER 119 5.350 6.456 33.761 958 H GLU 120 H GLU 120 0.708 5.279 34.291 959 HA GLU 120 HA GLU 120 -0.863 7.603 35.088 960 HB2 GLU 120 1HB GLU 120 -1.915 6.832 33.090 961 HB3 GLU 120 2HB GLU 120 -1.708 5.146 33.521 962 HG2 GLU 120 1HG GLU 120 -3.510 5.148 35.002 963 HG3 GLU 120 2HG GLU 120 -3.311 6.838 35.419 964 H THR 121 H THR 121 -0.628 7.524 37.313 965 HA THR 121 HA THR 121 -1.453 5.001 38.582 966 HB THR 121 HB THR 121 1.033 5.293 38.697 967 HG1 THR 121 1HG THR 121 -0.371 6.020 41.168 968 HG21 THR 121 1HG2 THR 121 1.684 7.187 40.424 969 HG22 THR 121 2HG2 THR 121 1.501 7.626 38.708 970 HG23 THR 121 3HG2 THR 121 0.190 7.973 39.861 971 H ARG 122 H ARG 122 -2.209 5.333 40.880 972 HA ARG 122 HA ARG 122 -2.815 7.685 41.979 973 HB2 ARG 122 1HB ARG 122 -4.556 7.179 39.647 974 HB3 ARG 122 2HB ARG 122 -5.486 7.407 41.114 975 HG2 ARG 122 1HG ARG 122 -3.241 9.342 40.720 976 HG3 ARG 122 2HG ARG 122 -4.544 9.465 39.554 977 HD2 ARG 122 1HD ARG 122 -5.416 10.847 41.205 978 HD3 ARG 122 2HD ARG 122 -6.077 9.322 41.761 979 HE ARG 122 HE ARG 122 -4.709 9.469 43.644 980 HH11 ARG 122 2HH2 ARG 122 -3.338 11.478 41.101 981 HH12 ARG 122 1HH2 ARG 122 -2.081 12.117 42.107 982 HH21 ARG 122 2HH1 ARG 122 -3.051 10.312 44.972 983 HH22 ARG 122 1HH1 ARG 122 -1.917 11.449 44.323 984 H SER 123 H SER 123 -3.953 7.333 43.959 985 HA SER 123 HA SER 123 -5.749 5.255 44.318 986 HB2 SER 123 1HB SER 123 -4.314 3.808 45.845 987 HB3 SER 123 2HB SER 123 -3.952 3.677 44.136 988 HG SER 123 HG SER 123 -1.943 4.024 44.863 989 H MET 124 H MET 124 -6.181 4.938 46.799 990 HA MET 124 HA MET 124 -5.038 6.792 48.560 991 HB2 MET 124 1HB MET 124 -6.553 8.264 47.065 992 HB3 MET 124 2HB MET 124 -7.923 7.378 47.703 993 HG2 MET 124 1HG MET 124 -5.984 8.558 49.690 994 HG3 MET 124 2HG MET 124 -7.048 9.664 48.843 995 HE1 MET 124 1HE MET 124 -8.809 9.222 52.307 996 HE2 MET 124 2HE MET 124 -7.076 9.353 51.921 997 HE3 MET 124 3HE MET 124 -8.255 10.392 51.085 998 H VAL 125 H VAL 125 -5.405 6.103 50.662 999 HA VAL 125 HA VAL 125 -7.676 4.289 51.055 1000 HB VAL 125 HB VAL 125 -5.381 3.185 50.710 1001 HG11 VAL 125 1HG1 VAL 125 -4.663 3.352 53.502 1002 HG12 VAL 125 2HG1 VAL 125 -3.678 3.693 52.059 1003 HG13 VAL 125 3HG1 VAL 125 -4.679 4.978 52.777 1004 HG21 VAL 125 1HG2 VAL 125 -6.564 1.494 51.555 1005 HG22 VAL 125 2HG2 VAL 125 -6.053 1.992 53.186 1006 HG23 VAL 125 3HG2 VAL 125 -7.571 2.617 52.498 1007 H SER 126 H SER 126 -6.513 3.923 53.887 1008 HA SER 126 HA SER 126 -6.202 6.268 55.178 1009 HB2 SER 126 1HB SER 126 -8.950 5.973 54.253 1010 HB3 SER 126 2HB SER 126 -8.911 5.999 56.005 1011 HG SER 126 HG SER 126 -7.801 7.981 54.209 1012 H GLY 127 H GLY 127 -5.468 5.607 57.172 1013 HA2 GLY 127 1HA GLY 127 -6.316 2.945 58.101 1014 HA3 GLY 127 2HA GLY 127 -4.832 3.778 58.521 1015 HA PRO 128 HA PRO 128 -8.512 5.303 61.138 1016 HB2 PRO 128 1HB PRO 128 -10.180 3.294 61.945 1017 HB3 PRO 128 2HB PRO 128 -10.554 4.374 60.617 1018 HG2 PRO 128 1HG PRO 128 -9.672 1.555 60.519 1019 HG3 PRO 128 2HG PRO 128 -10.446 2.507 59.268 1020 HD2 PRO 128 1HD PRO 128 -7.667 1.815 59.426 1021 HD3 PRO 128 2HD PRO 128 -8.421 2.862 58.240 1022 H SER 129 H SER 129 -9.240 4.735 63.555 1023 HA SER 129 HA SER 129 -7.274 3.000 64.706 1024 HB2 SER 129 1HB SER 129 -6.364 5.490 64.396 1025 HB3 SER 129 2HB SER 129 -7.338 5.806 65.818 1026 HG SER 129 HG SER 129 -6.001 3.558 66.375 1027 H SER 130 H SER 130 -7.638 2.887 67.195 1028 HA SER 130 HA SER 130 -9.829 4.014 68.381 1029 HB2 SER 130 1HB SER 130 -10.475 1.673 66.686 1030 HB3 SER 130 2HB SER 130 -11.040 1.509 68.336 1031 HG SER 130 HG SER 130 -12.311 2.781 66.464 1032 H GLY 131 H GLY 131 -10.391 2.803 70.507 1033 HA2 GLY 131 1HA GLY 131 -9.474 2.100 72.462 1034 HA3 GLY 131 2HA GLY 131 -9.276 0.613 71.556 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -2.535 -11.621 21.106 2 HA2 GLY 1 1HA GLY 1 -0.616 -11.384 22.614 3 HA3 GLY 1 2HA GLY 1 -0.833 -13.040 22.082 4 H SER 2 H SER 2 0.653 -10.007 20.711 5 HA SER 2 HA SER 2 3.202 -11.226 20.697 6 HB2 SER 2 1HB SER 2 1.551 -11.657 18.396 7 HB3 SER 2 2HB SER 2 2.776 -10.496 17.925 8 HG SER 2 HG SER 2 3.266 -13.068 19.170 9 H SER 3 H SER 3 4.532 -9.526 21.201 10 HA SER 3 HA SER 3 3.826 -6.999 21.469 11 HB2 SER 3 1HB SER 3 6.187 -6.399 21.378 12 HB3 SER 3 2HB SER 3 6.033 -7.984 22.110 13 HG SER 3 HG SER 3 6.312 -8.643 19.631 14 H GLY 4 H GLY 4 2.928 -5.496 20.113 15 HA2 GLY 4 1HA GLY 4 2.935 -5.822 17.290 16 HA3 GLY 4 2HA GLY 4 2.316 -4.462 18.205 17 H SER 5 H SER 5 5.226 -5.896 16.694 18 HA SER 5 HA SER 5 6.182 -3.301 16.115 19 HB2 SER 5 1HB SER 5 6.966 -4.117 18.593 20 HB3 SER 5 2HB SER 5 8.236 -4.859 17.640 21 HG SER 5 HG SER 5 9.153 -2.940 17.511 22 H SER 6 H SER 6 7.905 -3.380 14.497 23 HA SER 6 HA SER 6 8.867 -4.208 12.736 24 HB2 SER 6 1HB SER 6 9.343 -6.514 14.659 25 HB3 SER 6 2HB SER 6 9.997 -6.530 13.033 26 HG SER 6 HG SER 6 11.112 -4.525 13.512 27 H GLY 7 H GLY 7 8.853 -6.137 11.046 28 HA2 GLY 7 1HA GLY 7 7.013 -8.156 10.998 29 HA3 GLY 7 2HA GLY 7 6.100 -6.741 10.514 30 HA PRO 8 HA PRO 8 8.222 -8.307 6.807 31 HB2 PRO 8 1HB PRO 8 6.017 -8.701 5.242 32 HB3 PRO 8 2HB PRO 8 6.759 -9.974 6.189 33 HG2 PRO 8 1HG PRO 8 4.255 -8.493 6.714 34 HG3 PRO 8 2HG PRO 8 4.789 -10.021 7.387 35 HD2 PRO 8 1HD PRO 8 4.822 -7.466 8.691 36 HD3 PRO 8 2HD PRO 8 5.462 -8.971 9.319 37 H ASN 9 H ASN 9 7.292 -7.589 4.283 38 HA ASN 9 HA ASN 9 8.243 -5.056 4.136 39 HB2 ASN 9 1HB ASN 9 6.429 -6.728 2.376 40 HB3 ASN 9 2HB ASN 9 6.677 -5.048 1.943 41 HD21 ASN 9 1HD2 ASN 9 7.654 -7.997 1.227 42 HD22 ASN 9 2HD2 ASN 9 9.317 -7.759 0.803 43 H TYR 10 H TYR 10 5.068 -6.261 5.095 44 HA TYR 10 HA TYR 10 4.228 -3.671 5.912 45 HB2 TYR 10 1HB TYR 10 2.165 -3.780 4.367 46 HB3 TYR 10 2HB TYR 10 3.666 -3.493 3.511 47 HD1 TYR 10 1HD TYR 10 4.702 -5.283 2.149 48 HD2 TYR 10 2HD TYR 10 0.932 -5.850 4.090 49 HE1 TYR 10 1HE TYR 10 4.242 -7.307 0.681 50 HE2 TYR 10 2HE TYR 10 0.484 -7.872 2.615 51 HH TYR 10 HH TYR 10 2.573 -9.547 1.176 52 H ARG 11 H ARG 11 2.095 -3.759 7.040 53 HA ARG 11 HA ARG 11 1.773 -6.419 8.123 54 HB2 ARG 11 1HB ARG 11 0.609 -5.290 9.998 55 HB3 ARG 11 2HB ARG 11 2.165 -4.536 9.713 56 HG2 ARG 11 1HG ARG 11 1.073 -2.554 9.548 57 HG3 ARG 11 2HG ARG 11 0.433 -3.113 8.015 58 HD2 ARG 11 1HD ARG 11 -1.657 -3.122 8.897 59 HD3 ARG 11 2HD ARG 11 -1.165 -4.349 10.047 60 HE ARG 11 HE ARG 11 -1.365 -1.452 10.549 61 HH11 ARG 11 2HH2 ARG 11 -0.126 -4.542 11.688 62 HH12 ARG 11 1HH2 ARG 11 0.040 -4.015 13.329 63 HH21 ARG 11 2HH1 ARG 11 -1.146 -0.756 12.714 64 HH22 ARG 11 1HH1 ARG 11 -0.544 -1.848 13.917 65 H TRP 12 H TRP 12 -0.381 -7.383 8.347 66 HA TRP 12 HA TRP 12 -2.627 -6.046 7.170 67 HB2 TRP 12 1HB TRP 12 -2.977 -7.352 5.287 68 HB3 TRP 12 2HB TRP 12 -1.280 -6.924 5.207 69 HD1 TRP 12 HD TRP 12 0.503 -8.957 5.501 70 HE1 TRP 12 1HE TRP 12 0.364 -11.589 5.374 71 HE3 TRP 12 3HE TRP 12 -4.561 -9.230 5.864 72 HZ2 TRP 12 2HZ TRP 12 -1.800 -13.448 5.438 73 HZ3 TRP 12 3HZ TRP 12 -5.608 -11.492 5.824 74 HH2 TRP 12 HH TRP 12 -4.314 -13.555 5.619 75 H THR 13 H THR 13 -4.491 -6.860 8.126 76 HA THR 13 HA THR 13 -4.309 -9.484 9.413 77 HB THR 13 HB THR 13 -4.858 -8.618 11.550 78 HG1 THR 13 1HG THR 13 -6.256 -6.885 11.594 79 HG21 THR 13 1HG2 THR 13 -3.371 -6.769 12.053 80 HG22 THR 13 2HG2 THR 13 -2.566 -7.708 10.773 81 HG23 THR 13 3HG2 THR 13 -3.414 -6.197 10.368 82 H GLN 14 H GLN 14 -6.858 -9.248 10.724 83 HA GLN 14 HA GLN 14 -8.837 -8.328 9.065 84 HB2 GLN 14 1HB GLN 14 -9.637 -10.406 7.970 85 HB3 GLN 14 2HB GLN 14 -8.046 -9.948 7.394 86 HG2 GLN 14 1HG GLN 14 -7.949 -11.715 9.770 87 HG3 GLN 14 2HG GLN 14 -8.753 -12.456 8.401 88 HE21 GLN 14 1HE2 GLN 14 -7.404 -13.731 7.398 89 HE22 GLN 14 2HE2 GLN 14 -5.765 -13.389 6.955 90 H THR 15 H THR 15 -11.048 -9.434 9.646 91 HA THR 15 HA THR 15 -10.876 -10.661 12.309 92 HB THR 15 HB THR 15 -11.295 -8.102 12.324 93 HG1 THR 15 1HG THR 15 -12.557 -8.620 14.111 94 HG21 THR 15 1HG2 THR 15 -14.163 -8.454 11.958 95 HG22 THR 15 2HG2 THR 15 -13.091 -7.256 11.194 96 HG23 THR 15 3HG2 THR 15 -13.322 -8.852 10.441 97 H LEU 16 H LEU 16 -11.069 -12.380 10.342 98 HA LEU 16 HA LEU 16 -12.382 -13.755 9.157 99 HB2 LEU 16 1HB LEU 16 -13.482 -13.667 11.938 100 HB3 LEU 16 2HB LEU 16 -14.268 -14.670 10.735 101 HG LEU 16 HG LEU 16 -12.303 -15.537 12.348 102 HD11 LEU 16 1HD1 LEU 16 -13.754 -16.552 10.256 103 HD12 LEU 16 2HD1 LEU 16 -12.080 -16.767 9.691 104 HD13 LEU 16 3HD1 LEU 16 -12.590 -17.464 11.248 105 HD21 LEU 16 1HD2 LEU 16 -10.661 -13.941 11.392 106 HD22 LEU 16 2HD2 LEU 16 -10.175 -15.645 11.224 107 HD23 LEU 16 3HD2 LEU 16 -10.824 -14.762 9.821 108 H ALA 17 H ALA 17 -12.964 -10.954 8.643 109 HA ALA 17 HA ALA 17 -15.535 -11.327 7.448 110 HB1 ALA 17 1HB ALA 17 -16.027 -8.910 8.695 111 HB2 ALA 17 2HB ALA 17 -16.705 -10.479 9.192 112 HB3 ALA 17 3HB ALA 17 -15.241 -9.851 9.985 113 H GLU 18 H GLU 18 -13.517 -8.510 8.556 114 HA GLU 18 HA GLU 18 -13.346 -7.775 5.745 115 HB2 GLU 18 1HB GLU 18 -12.987 -5.490 6.490 116 HB3 GLU 18 2HB GLU 18 -14.392 -6.126 7.322 117 HG2 GLU 18 1HG GLU 18 -13.331 -5.333 9.196 118 HG3 GLU 18 2HG GLU 18 -12.457 -6.849 9.110 119 H LEU 19 H LEU 19 -11.180 -6.376 5.342 120 HA LEU 19 HA LEU 19 -8.975 -7.823 6.631 121 HB2 LEU 19 1HB LEU 19 -9.704 -7.626 3.783 122 HB3 LEU 19 2HB LEU 19 -8.019 -7.296 4.137 123 HG LEU 19 HG LEU 19 -9.099 -9.720 5.440 124 HD11 LEU 19 1HD1 LEU 19 -8.542 -10.771 2.972 125 HD12 LEU 19 2HD1 LEU 19 -10.170 -10.495 3.635 126 HD13 LEU 19 3HD1 LEU 19 -9.433 -9.288 2.554 127 HD21 LEU 19 1HD2 LEU 19 -6.777 -9.261 5.658 128 HD22 LEU 19 2HD2 LEU 19 -6.934 -10.643 4.547 129 HD23 LEU 19 3HD2 LEU 19 -6.589 -9.019 3.905 130 H ASP 20 H ASP 20 -7.161 -6.591 7.161 131 HA ASP 20 HA ASP 20 -7.438 -3.759 6.524 132 HB2 ASP 20 1HB ASP 20 -6.803 -5.168 9.118 133 HB3 ASP 20 2HB ASP 20 -6.040 -3.619 8.819 134 H LEU 21 H LEU 21 -5.571 -2.888 5.566 135 HA LEU 21 HA LEU 21 -3.074 -4.377 5.930 136 HB2 LEU 21 1HB LEU 21 -3.731 -5.160 3.852 137 HB3 LEU 21 2HB LEU 21 -4.446 -3.633 3.376 138 HG LEU 21 HG LEU 21 -2.392 -4.160 2.127 139 HD11 LEU 21 1HD1 LEU 21 -1.369 -1.839 3.551 140 HD12 LEU 21 2HD1 LEU 21 -2.007 -1.982 1.895 141 HD13 LEU 21 3HD1 LEU 21 -3.121 -1.727 3.259 142 HD21 LEU 21 1HD2 LEU 21 -1.403 -5.032 4.566 143 HD22 LEU 21 2HD2 LEU 21 -0.485 -4.844 3.053 144 HD23 LEU 21 3HD2 LEU 21 -0.499 -3.531 4.254 145 H ALA 22 H ALA 22 -1.193 -3.094 6.013 146 HA ALA 22 HA ALA 22 -1.544 -0.230 5.648 147 HB1 ALA 22 1HB ALA 22 -0.299 -1.247 8.206 148 HB2 ALA 22 2HB ALA 22 -0.969 0.361 7.841 149 HB3 ALA 22 3HB ALA 22 -2.061 -1.022 8.089 150 H VAL 23 H VAL 23 0.218 0.615 4.627 151 HA VAL 23 HA VAL 23 2.705 -0.934 4.811 152 HB VAL 23 HB VAL 23 1.616 0.398 2.326 153 HG11 VAL 23 1HG1 VAL 23 4.130 0.167 2.614 154 HG12 VAL 23 2HG1 VAL 23 3.885 -1.595 2.564 155 HG13 VAL 23 3HG1 VAL 23 3.438 -0.595 1.162 156 HG21 VAL 23 1HG2 VAL 23 1.773 -2.396 1.947 157 HG22 VAL 23 2HG2 VAL 23 0.939 -2.153 3.500 158 HG23 VAL 23 3HG2 VAL 23 0.310 -1.385 2.023 159 HA PRO 24 HA PRO 24 3.818 3.146 6.060 160 HB2 PRO 24 1HB PRO 24 6.070 2.441 7.439 161 HB3 PRO 24 2HB PRO 24 4.476 2.488 8.166 162 HG2 PRO 24 1HG PRO 24 6.071 0.138 7.346 163 HG3 PRO 24 2HG PRO 24 4.701 0.208 8.436 164 HD2 PRO 24 1HD PRO 24 4.688 -0.719 5.722 165 HD3 PRO 24 2HD PRO 24 3.299 -0.540 6.775 166 H PHE 25 H PHE 25 5.362 4.745 5.497 167 HA PHE 25 HA PHE 25 7.305 3.713 3.564 168 HB2 PHE 25 1HB PHE 25 5.311 6.044 3.379 169 HB3 PHE 25 2HB PHE 25 6.684 5.923 2.297 170 HD1 PHE 25 2HD PHE 25 6.560 2.844 2.041 171 HD2 PHE 25 1HD PHE 25 3.625 5.889 1.701 172 HE1 PHE 25 2HE PHE 25 5.220 1.380 0.504 173 HE2 PHE 25 1HE PHE 25 2.285 4.426 0.164 174 HZ PHE 25 HZ PHE 25 3.098 2.189 -0.416 175 H ARG 26 H ARG 26 9.310 4.767 3.553 176 HA ARG 26 HA ARG 26 9.777 6.351 5.868 177 HB2 ARG 26 1HB ARG 26 11.326 4.688 4.088 178 HB3 ARG 26 2HB ARG 26 12.072 6.273 4.099 179 HG2 ARG 26 1HG ARG 26 11.271 5.397 6.804 180 HG3 ARG 26 2HG ARG 26 12.394 4.282 6.051 181 HD2 ARG 26 1HD ARG 26 14.129 5.719 6.357 182 HD3 ARG 26 2HD ARG 26 13.273 7.009 5.537 183 HE ARG 26 HE ARG 26 12.348 6.500 8.285 184 HH11 ARG 26 2HH2 ARG 26 14.545 8.332 6.236 185 HH12 ARG 26 1HH2 ARG 26 14.767 9.603 7.392 186 HH21 ARG 26 2HH1 ARG 26 12.640 8.176 9.811 187 HH22 ARG 26 1HH1 ARG 26 13.677 9.513 9.439 188 H VAL 27 H VAL 27 8.603 8.331 5.415 189 HA VAL 27 HA VAL 27 9.927 9.980 3.379 190 HB VAL 27 HB VAL 27 7.639 11.068 3.123 191 HG11 VAL 27 1HG1 VAL 27 6.939 8.727 1.807 192 HG12 VAL 27 2HG1 VAL 27 7.981 10.022 1.170 193 HG13 VAL 27 3HG1 VAL 27 8.708 8.603 1.962 194 HG21 VAL 27 1HG2 VAL 27 6.923 9.372 5.182 195 HG22 VAL 27 2HG2 VAL 27 5.799 10.231 4.102 196 HG23 VAL 27 3HG2 VAL 27 6.265 8.550 3.747 197 H SER 28 H SER 28 9.654 12.376 3.854 198 HA SER 28 HA SER 28 9.663 12.711 6.751 199 HB2 SER 28 1HB SER 28 11.678 13.297 4.876 200 HB3 SER 28 2HB SER 28 10.961 14.858 5.220 201 HG SER 28 HG SER 28 11.503 13.170 7.447 202 H PHE 29 H PHE 29 7.615 13.008 4.274 203 HA PHE 29 HA PHE 29 6.491 15.489 5.331 204 HB2 PHE 29 1HB PHE 29 5.824 15.876 2.822 205 HB3 PHE 29 2HB PHE 29 7.500 16.176 3.240 206 HD1 PHE 29 2HD PHE 29 5.384 13.286 2.158 207 HD2 PHE 29 1HD PHE 29 9.078 15.342 1.794 208 HE1 PHE 29 2HE PHE 29 6.115 11.658 0.393 209 HE2 PHE 29 1HE PHE 29 9.810 13.714 0.028 210 HZ PHE 29 HZ PHE 29 8.319 11.892 -0.651 211 H ARG 30 H ARG 30 4.114 15.731 4.534 212 HA ARG 30 HA ARG 30 2.841 13.309 5.208 213 HB2 ARG 30 1HB ARG 30 2.036 16.143 4.663 214 HB3 ARG 30 2HB ARG 30 0.793 14.946 4.361 215 HG2 ARG 30 1HG ARG 30 0.458 14.593 6.584 216 HG3 ARG 30 2HG ARG 30 2.172 14.383 6.885 217 HD2 ARG 30 1HD ARG 30 2.361 16.489 7.728 218 HD3 ARG 30 2HD ARG 30 1.611 17.190 6.308 219 HE ARG 30 HE ARG 30 -0.328 15.880 8.056 220 HH11 ARG 30 2HH2 ARG 30 1.466 18.856 7.505 221 HH12 ARG 30 1HH2 ARG 30 0.326 19.850 8.349 222 HH21 ARG 30 2HH1 ARG 30 -1.832 17.191 9.170 223 HH22 ARG 30 1HH1 ARG 30 -1.562 18.896 9.303 224 H LEU 31 H LEU 31 2.440 11.664 3.764 225 HA LEU 31 HA LEU 31 2.660 12.122 0.965 226 HB2 LEU 31 1HB LEU 31 2.170 9.795 2.764 227 HB3 LEU 31 2HB LEU 31 1.726 9.641 1.076 228 HG LEU 31 HG LEU 31 4.489 10.372 2.088 229 HD11 LEU 31 1HD1 LEU 31 5.002 8.212 2.244 230 HD12 LEU 31 2HD1 LEU 31 3.256 7.881 2.157 231 HD13 LEU 31 3HD1 LEU 31 4.244 7.838 0.677 232 HD21 LEU 31 1HD2 LEU 31 4.183 11.345 -0.065 233 HD22 LEU 31 2HD2 LEU 31 5.157 9.871 -0.282 234 HD23 LEU 31 3HD2 LEU 31 3.427 9.864 -0.700 235 H LYS 32 H LYS 32 1.091 12.490 -0.547 236 HA LYS 32 HA LYS 32 -1.578 12.933 0.508 237 HB2 LYS 32 1HB LYS 32 0.039 13.948 -1.746 238 HB3 LYS 32 2HB LYS 32 -1.651 13.682 -2.126 239 HG2 LYS 32 1HG LYS 32 -0.832 15.157 0.405 240 HG3 LYS 32 2HG LYS 32 -0.953 15.998 -1.127 241 HD2 LYS 32 1HD LYS 32 -3.340 14.967 -1.309 242 HD3 LYS 32 2HD LYS 32 -3.166 14.555 0.385 243 HE2 LYS 32 1HE LYS 32 -2.964 16.868 1.039 244 HE3 LYS 32 2HE LYS 32 -2.688 17.393 -0.610 245 HZ1 LYS 32 1HZ LYS 32 -4.852 17.690 -0.733 246 HZ2 LYS 32 2HZ LYS 32 -5.082 16.076 -0.641 247 HZ3 LYS 32 3HZ LYS 32 -5.127 16.986 0.715 248 H GLY 33 H GLY 33 -3.230 12.442 -1.620 249 HA2 GLY 33 1HA GLY 33 -3.093 9.512 -1.779 250 HA3 GLY 33 2HA GLY 33 -4.516 10.515 -1.980 251 H LYS 34 H LYS 34 -1.695 11.817 -3.530 252 HA LYS 34 HA LYS 34 -2.625 10.707 -6.088 253 HB2 LYS 34 1HB LYS 34 -1.980 12.840 -7.116 254 HB3 LYS 34 2HB LYS 34 -3.233 13.047 -5.910 255 HG2 LYS 34 1HG LYS 34 -1.848 14.717 -5.150 256 HG3 LYS 34 2HG LYS 34 -1.058 13.396 -4.312 257 HD2 LYS 34 1HD LYS 34 0.725 14.519 -5.413 258 HD3 LYS 34 2HD LYS 34 0.413 13.127 -6.431 259 HE2 LYS 34 1HE LYS 34 -0.820 14.455 -8.040 260 HE3 LYS 34 2HE LYS 34 -0.910 15.824 -6.950 261 HZ1 LYS 34 1HZ LYS 34 0.982 15.447 -8.808 262 HZ2 LYS 34 2HZ LYS 34 1.111 16.468 -7.540 263 HZ3 LYS 34 3HZ LYS 34 1.758 14.971 -7.452 264 H ASP 35 H ASP 35 0.008 11.300 -3.839 265 HA ASP 35 HA ASP 35 1.967 10.670 -5.845 266 HB2 ASP 35 1HB ASP 35 2.035 11.447 -2.915 267 HB3 ASP 35 2HB ASP 35 3.462 10.745 -3.650 268 H VAL 36 H VAL 36 -0.242 8.764 -4.765 269 HA VAL 36 HA VAL 36 1.577 6.562 -4.151 270 HB VAL 36 HB VAL 36 0.926 6.781 -2.012 271 HG11 VAL 36 1HG1 VAL 36 -1.096 7.906 -1.219 272 HG12 VAL 36 2HG1 VAL 36 -0.231 8.926 -2.394 273 HG13 VAL 36 3HG1 VAL 36 -1.695 8.042 -2.890 274 HG21 VAL 36 1HG2 VAL 36 -0.020 4.658 -2.586 275 HG22 VAL 36 2HG2 VAL 36 -1.174 5.479 -1.507 276 HG23 VAL 36 3HG2 VAL 36 -1.480 5.420 -3.259 277 H VAL 37 H VAL 37 0.371 4.395 -4.435 278 HA VAL 37 HA VAL 37 -1.762 4.674 -6.419 279 HB VAL 37 HB VAL 37 0.696 2.932 -6.691 280 HG11 VAL 37 1HG1 VAL 37 -1.161 3.329 -8.973 281 HG12 VAL 37 2HG1 VAL 37 -0.258 1.884 -8.461 282 HG13 VAL 37 3HG1 VAL 37 -1.770 2.328 -7.633 283 HG21 VAL 37 1HG2 VAL 37 0.721 4.506 -8.888 284 HG22 VAL 37 2HG2 VAL 37 -0.001 5.634 -7.715 285 HG23 VAL 37 3HG2 VAL 37 1.588 4.902 -7.384 286 H VAL 38 H VAL 38 -3.432 3.900 -5.173 287 HA VAL 38 HA VAL 38 -2.963 1.275 -3.934 288 HB VAL 38 HB VAL 38 -4.658 3.616 -3.067 289 HG11 VAL 38 1HG1 VAL 38 -5.000 0.727 -2.532 290 HG12 VAL 38 2HG1 VAL 38 -5.000 1.769 -1.089 291 HG13 VAL 38 3HG1 VAL 38 -6.163 2.068 -2.403 292 HG21 VAL 38 1HG2 VAL 38 -3.348 3.138 -0.896 293 HG22 VAL 38 2HG2 VAL 38 -2.266 2.167 -1.924 294 HG23 VAL 38 3HG2 VAL 38 -2.478 3.905 -2.246 295 H ASP 39 H ASP 39 -3.663 -0.108 -5.540 296 HA ASP 39 HA ASP 39 -6.175 0.563 -6.810 297 HB2 ASP 39 1HB ASP 39 -3.828 -0.496 -7.806 298 HB3 ASP 39 2HB ASP 39 -4.749 -1.961 -7.529 299 H ILE 40 H ILE 40 -7.990 -0.262 -5.756 300 HA ILE 40 HA ILE 40 -7.654 -2.792 -4.309 301 HB ILE 40 HB ILE 40 -9.622 -0.531 -3.956 302 HG12 ILE 40 1HG1 ILE 40 -7.452 -1.561 -2.105 303 HG13 ILE 40 2HG1 ILE 40 -7.299 -0.147 -3.129 304 HG21 ILE 40 1HG2 ILE 40 -9.799 -2.321 -1.794 305 HG22 ILE 40 2HG2 ILE 40 -11.025 -1.986 -3.041 306 HG23 ILE 40 3HG2 ILE 40 -9.869 -3.320 -3.266 307 HD11 ILE 40 1HD1 ILE 40 -9.702 -0.326 -1.315 308 HD12 ILE 40 2HD1 ILE 40 -8.121 0.080 -0.603 309 HD13 ILE 40 3HD1 ILE 40 -8.815 1.112 -1.877 310 H GLN 41 H GLN 41 -8.039 -4.381 -5.815 311 HA GLN 41 HA GLN 41 -10.421 -4.022 -7.444 312 HB2 GLN 41 1HB GLN 41 -7.826 -5.456 -7.803 313 HB3 GLN 41 2HB GLN 41 -9.233 -6.272 -8.454 314 HG2 GLN 41 1HG GLN 41 -8.632 -3.338 -9.034 315 HG3 GLN 41 2HG GLN 41 -8.020 -4.638 -10.038 316 HE21 GLN 41 1HE2 GLN 41 -10.112 -2.387 -10.240 317 HE22 GLN 41 2HE2 GLN 41 -11.495 -3.140 -10.962 318 H ARG 42 H ARG 42 -11.419 -6.406 -7.990 319 HA ARG 42 HA ARG 42 -12.589 -7.192 -5.617 320 HB2 ARG 42 1HB ARG 42 -13.551 -7.464 -7.950 321 HB3 ARG 42 2HB ARG 42 -12.418 -8.770 -8.234 322 HG2 ARG 42 1HG ARG 42 -14.439 -9.850 -7.553 323 HG3 ARG 42 2HG ARG 42 -13.398 -9.917 -6.145 324 HD2 ARG 42 1HD ARG 42 -14.786 -8.580 -4.911 325 HD3 ARG 42 2HD ARG 42 -14.996 -7.435 -6.221 326 HE ARG 42 HE ARG 42 -16.782 -9.618 -5.543 327 HH11 ARG 42 2HH2 ARG 42 -15.585 -7.714 -8.249 328 HH12 ARG 42 1HH2 ARG 42 -16.992 -7.980 -9.224 329 HH21 ARG 42 2HH1 ARG 42 -18.638 -9.970 -6.828 330 HH22 ARG 42 1HH1 ARG 42 -18.740 -9.272 -8.410 331 H ARG 43 H ARG 43 -10.103 -8.810 -7.720 332 HA ARG 43 HA ARG 43 -9.318 -10.297 -5.351 333 HB2 ARG 43 1HB ARG 43 -10.570 -11.471 -7.534 334 HB3 ARG 43 2HB ARG 43 -8.882 -11.675 -7.960 335 HG2 ARG 43 1HG ARG 43 -8.408 -12.946 -5.992 336 HG3 ARG 43 2HG ARG 43 -9.856 -12.392 -5.174 337 HD2 ARG 43 1HD ARG 43 -11.212 -13.943 -6.222 338 HD3 ARG 43 2HD ARG 43 -10.352 -13.829 -7.744 339 HE ARG 43 HE ARG 43 -8.507 -15.062 -6.100 340 HH11 ARG 43 2HH2 ARG 43 -11.871 -15.734 -6.887 341 HH12 ARG 43 1HH2 ARG 43 -11.716 -17.444 -6.658 342 HH21 ARG 43 2HH1 ARG 43 -8.302 -17.318 -5.799 343 HH22 ARG 43 1HH1 ARG 43 -9.673 -18.351 -6.035 344 H HIS 44 H HIS 44 -8.049 -7.954 -5.872 345 HA HIS 44 HA HIS 44 -5.416 -8.755 -6.366 346 HB2 HIS 44 1HB HIS 44 -6.751 -8.387 -8.734 347 HB3 HIS 44 2HB HIS 44 -6.072 -6.793 -8.470 348 HD1 HIS 44 1HD HIS 44 -3.351 -6.776 -8.022 349 HD2 HIS 44 2HD HIS 44 -4.989 -10.211 -9.787 350 HE1 HIS 44 1HE HIS 44 -1.403 -8.026 -9.096 351 H LEU 45 H LEU 45 -4.050 -7.313 -5.351 352 HA LEU 45 HA LEU 45 -5.165 -4.662 -4.783 353 HB2 LEU 45 1HB LEU 45 -5.393 -6.357 -2.886 354 HB3 LEU 45 2HB LEU 45 -3.647 -6.287 -2.752 355 HG LEU 45 HG LEU 45 -3.770 -3.865 -2.296 356 HD11 LEU 45 1HD1 LEU 45 -5.559 -2.664 -2.809 357 HD12 LEU 45 2HD1 LEU 45 -6.416 -4.141 -3.312 358 HD13 LEU 45 3HD1 LEU 45 -6.526 -3.579 -1.627 359 HD21 LEU 45 1HD2 LEU 45 -4.624 -5.998 -0.595 360 HD22 LEU 45 2HD2 LEU 45 -3.763 -4.499 -0.173 361 HD23 LEU 45 3HD2 LEU 45 -5.542 -4.531 -0.181 362 H ARG 46 H ARG 46 -3.803 -3.026 -5.308 363 HA ARG 46 HA ARG 46 -0.997 -3.751 -5.545 364 HB2 ARG 46 1HB ARG 46 -2.341 -3.484 -7.783 365 HB3 ARG 46 2HB ARG 46 -2.353 -1.769 -7.422 366 HG2 ARG 46 1HG ARG 46 0.201 -1.905 -7.186 367 HG3 ARG 46 2HG ARG 46 0.101 -3.540 -7.810 368 HD2 ARG 46 1HD ARG 46 0.584 -1.713 -9.550 369 HD3 ARG 46 2HD ARG 46 -0.732 -2.802 -9.940 370 HE ARG 46 HE ARG 46 -1.541 -0.364 -8.493 371 HH11 ARG 46 2HH2 ARG 46 -1.089 -1.900 -11.627 372 HH12 ARG 46 1HH2 ARG 46 -2.150 -0.811 -12.456 373 HH21 ARG 46 2HH1 ARG 46 -2.941 1.073 -9.587 374 HH22 ARG 46 1HH1 ARG 46 -3.211 0.891 -11.288 375 H VAL 47 H VAL 47 -0.035 -2.616 -3.873 376 HA VAL 47 HA VAL 47 -0.863 0.188 -3.558 377 HB VAL 47 HB VAL 47 0.035 -1.823 -1.486 378 HG11 VAL 47 1HG1 VAL 47 -0.396 1.166 -1.310 379 HG12 VAL 47 2HG1 VAL 47 -0.506 0.105 0.115 380 HG13 VAL 47 3HG1 VAL 47 1.017 0.211 -0.800 381 HG21 VAL 47 1HG2 VAL 47 -2.597 -0.334 -1.769 382 HG22 VAL 47 2HG2 VAL 47 -2.323 -2.028 -2.244 383 HG23 VAL 47 3HG2 VAL 47 -2.182 -1.548 -0.536 384 H GLY 48 H GLY 48 0.838 1.717 -3.071 385 HA2 GLY 48 1HA GLY 48 3.473 1.300 -2.662 386 HA3 GLY 48 2HA GLY 48 3.317 1.026 -4.386 387 H LEU 49 H LEU 49 4.875 3.040 -4.148 388 HA LEU 49 HA LEU 49 3.236 5.470 -4.031 389 HB2 LEU 49 1HB LEU 49 6.183 4.991 -3.603 390 HB3 LEU 49 2HB LEU 49 5.497 6.590 -3.816 391 HG LEU 49 HG LEU 49 4.862 4.642 -1.583 392 HD11 LEU 49 1HD1 LEU 49 6.593 5.535 -0.527 393 HD12 LEU 49 2HD1 LEU 49 6.921 6.605 -1.911 394 HD13 LEU 49 3HD1 LEU 49 5.813 7.132 -0.622 395 HD21 LEU 49 1HD2 LEU 49 3.722 7.391 -2.146 396 HD22 LEU 49 2HD2 LEU 49 2.847 5.842 -2.119 397 HD23 LEU 49 3HD2 LEU 49 3.530 6.504 -0.615 398 H LYS 50 H LYS 50 2.893 6.649 -5.858 399 HA LYS 50 HA LYS 50 3.154 5.664 -8.329 400 HB2 LYS 50 1HB LYS 50 2.249 7.995 -7.261 401 HB3 LYS 50 2HB LYS 50 3.644 8.582 -8.143 402 HG2 LYS 50 1HG LYS 50 2.803 7.872 -10.231 403 HG3 LYS 50 2HG LYS 50 1.774 6.645 -9.520 404 HD2 LYS 50 1HD LYS 50 0.915 9.162 -8.443 405 HD3 LYS 50 2HD LYS 50 1.128 9.399 -10.166 406 HE2 LYS 50 1HE LYS 50 -0.493 7.780 -10.736 407 HE3 LYS 50 2HE LYS 50 -0.318 6.916 -9.221 408 HZ1 LYS 50 1HZ LYS 50 -2.346 8.297 -9.441 409 HZ2 LYS 50 2HZ LYS 50 -1.469 8.606 -8.099 410 HZ3 LYS 50 3HZ LYS 50 -1.412 9.634 -9.367 411 H GLY 51 H GLY 51 4.723 5.245 -9.816 412 HA2 GLY 51 1HA GLY 51 6.730 5.487 -10.892 413 HA3 GLY 51 2HA GLY 51 7.264 6.636 -9.682 414 H GLN 52 H GLN 52 6.708 5.050 -7.306 415 HA GLN 52 HA GLN 52 9.037 3.419 -7.423 416 HB2 GLN 52 1HB GLN 52 7.279 4.576 -5.337 417 HB3 GLN 52 2HB GLN 52 7.902 2.991 -4.924 418 HG2 GLN 52 1HG GLN 52 10.036 4.578 -6.105 419 HG3 GLN 52 2HG GLN 52 9.282 5.495 -4.816 420 HE21 GLN 52 1HE2 GLN 52 8.906 4.345 -2.754 421 HE22 GLN 52 2HE2 GLN 52 10.107 3.234 -2.185 422 HA PRO 53 HA PRO 53 7.112 -0.465 -7.692 423 HB2 PRO 53 1HB PRO 53 8.458 -2.061 -5.928 424 HB3 PRO 53 2HB PRO 53 9.095 -1.620 -7.500 425 HG2 PRO 53 1HG PRO 53 9.867 -0.602 -4.834 426 HG3 PRO 53 2HG PRO 53 10.751 -0.505 -6.344 427 HD2 PRO 53 1HD PRO 53 9.279 1.606 -5.078 428 HD3 PRO 53 2HD PRO 53 10.065 1.669 -6.643 429 HA PRO 54 HA PRO 54 3.959 -0.786 -4.857 430 HB2 PRO 54 1HB PRO 54 2.605 -2.929 -5.879 431 HB3 PRO 54 2HB PRO 54 2.413 -1.296 -6.486 432 HG2 PRO 54 1HG PRO 54 3.874 -3.563 -7.696 433 HG3 PRO 54 2HG PRO 54 3.315 -2.087 -8.456 434 HD2 PRO 54 1HD PRO 54 6.006 -2.704 -7.677 435 HD3 PRO 54 2HD PRO 54 5.426 -1.184 -8.330 436 H VAL 55 H VAL 55 4.233 -1.298 -2.788 437 HA VAL 55 HA VAL 55 5.859 -3.458 -2.085 438 HB VAL 55 HB VAL 55 3.762 -2.062 -0.414 439 HG11 VAL 55 1HG1 VAL 55 4.475 -3.623 1.060 440 HG12 VAL 55 2HG1 VAL 55 5.970 -3.952 0.152 441 HG13 VAL 55 3HG1 VAL 55 5.877 -2.540 1.231 442 HG21 VAL 55 1HG2 VAL 55 5.770 -0.606 0.258 443 HG22 VAL 55 2HG2 VAL 55 6.545 -1.206 -1.228 444 HG23 VAL 55 3HG2 VAL 55 5.020 -0.292 -1.325 445 H VAL 56 H VAL 56 2.329 -3.110 -2.577 446 HA VAL 56 HA VAL 56 2.088 -5.983 -2.003 447 HB VAL 56 HB VAL 56 -0.058 -3.857 -1.895 448 HG11 VAL 56 1HG1 VAL 56 -0.217 -6.670 -2.026 449 HG12 VAL 56 2HG1 VAL 56 -0.548 -6.239 -0.331 450 HG13 VAL 56 3HG1 VAL 56 -1.521 -5.522 -1.638 451 HG21 VAL 56 1HG2 VAL 56 1.218 -5.178 0.506 452 HG22 VAL 56 2HG2 VAL 56 1.846 -3.659 -0.178 453 HG23 VAL 56 3HG2 VAL 56 0.179 -3.733 0.444 454 H ASP 57 H ASP 57 1.583 -7.297 -3.689 455 HA ASP 57 HA ASP 57 -0.020 -6.340 -5.806 456 HB2 ASP 57 1HB ASP 57 1.874 -5.400 -6.827 457 HB3 ASP 57 2HB ASP 57 2.965 -6.584 -6.133 458 H GLY 58 H GLY 58 -1.222 -8.176 -6.326 459 HA2 GLY 58 1HA GLY 58 -0.403 -10.574 -7.205 460 HA3 GLY 58 2HA GLY 58 -0.269 -10.777 -5.469 461 H GLU 59 H GLU 59 -2.110 -12.214 -7.211 462 HA GLU 59 HA GLU 59 -4.648 -11.020 -7.037 463 HB2 GLU 59 1HB GLU 59 -4.237 -12.660 -8.761 464 HB3 GLU 59 2HB GLU 59 -3.710 -13.860 -7.597 465 HG2 GLU 59 1HG GLU 59 -5.991 -13.973 -6.631 466 HG3 GLU 59 2HG GLU 59 -6.535 -12.699 -7.705 467 H LEU 60 H LEU 60 -5.760 -10.680 -5.165 468 HA LEU 60 HA LEU 60 -5.085 -11.629 -2.711 469 HB2 LEU 60 1HB LEU 60 -7.730 -10.752 -3.851 470 HB3 LEU 60 2HB LEU 60 -7.537 -11.170 -2.160 471 HG LEU 60 HG LEU 60 -5.831 -9.066 -3.502 472 HD11 LEU 60 1HD1 LEU 60 -8.589 -8.815 -2.318 473 HD12 LEU 60 2HD1 LEU 60 -7.446 -7.451 -2.307 474 HD13 LEU 60 3HD1 LEU 60 -7.955 -8.173 -3.852 475 HD21 LEU 60 1HD2 LEU 60 -5.514 -10.292 -1.090 476 HD22 LEU 60 2HD2 LEU 60 -4.946 -8.651 -1.482 477 HD23 LEU 60 3HD2 LEU 60 -6.495 -8.878 -0.636 478 H TYR 61 H TYR 61 -6.338 -13.171 -1.259 479 HA TYR 61 HA TYR 61 -6.277 -15.737 -2.450 480 HB2 TYR 61 1HB TYR 61 -5.721 -15.218 -0.064 481 HB3 TYR 61 2HB TYR 61 -7.312 -14.529 0.187 482 HD1 TYR 61 2HD TYR 61 -5.471 -17.700 -0.375 483 HD2 TYR 61 1HD TYR 61 -9.196 -15.909 0.730 484 HE1 TYR 61 2HE TYR 61 -6.332 -19.959 0.414 485 HE2 TYR 61 1HE TYR 61 -10.044 -18.174 1.515 486 HH TYR 61 HH TYR 61 -9.269 -20.241 2.209 487 H ASN 62 H ASN 62 -8.870 -13.411 -1.592 488 HA ASN 62 HA ASN 62 -10.657 -15.036 -3.164 489 HB2 ASN 62 1HB ASN 62 -10.967 -15.711 -0.727 490 HB3 ASN 62 2HB ASN 62 -11.391 -14.051 -0.357 491 HD21 ASN 62 1HD2 ASN 62 -12.299 -16.958 -2.081 492 HD22 ASN 62 2HD2 ASN 62 -13.976 -16.591 -2.317 493 H GLU 63 H GLU 63 -12.744 -13.714 -3.633 494 HA GLU 63 HA GLU 63 -12.037 -11.159 -4.426 495 HB2 GLU 63 1HB GLU 63 -14.756 -12.499 -4.121 496 HB3 GLU 63 2HB GLU 63 -14.548 -10.924 -4.861 497 HG2 GLU 63 1HG GLU 63 -12.994 -11.914 -6.549 498 HG3 GLU 63 2HG GLU 63 -13.177 -13.489 -5.802 499 H VAL 64 H VAL 64 -12.575 -9.065 -3.626 500 HA VAL 64 HA VAL 64 -13.772 -9.029 -0.952 501 HB VAL 64 HB VAL 64 -12.067 -7.199 -0.452 502 HG11 VAL 64 1HG1 VAL 64 -12.026 -9.369 0.654 503 HG12 VAL 64 2HG1 VAL 64 -11.150 -10.082 -0.721 504 HG13 VAL 64 3HG1 VAL 64 -10.367 -8.841 0.287 505 HG21 VAL 64 1HG2 VAL 64 -9.943 -7.290 -1.639 506 HG22 VAL 64 2HG2 VAL 64 -10.569 -8.561 -2.716 507 HG23 VAL 64 3HG2 VAL 64 -11.261 -6.922 -2.778 508 H LYS 65 H LYS 65 -15.266 -7.406 -0.647 509 HA LYS 65 HA LYS 65 -16.330 -6.145 -2.872 510 HB2 LYS 65 1HB LYS 65 -17.164 -6.611 -0.349 511 HB3 LYS 65 2HB LYS 65 -16.756 -4.914 -0.196 512 HG2 LYS 65 1HG LYS 65 -18.509 -4.246 -1.506 513 HG3 LYS 65 2HG LYS 65 -18.222 -5.501 -2.695 514 HD2 LYS 65 1HD LYS 65 -19.448 -7.141 -1.421 515 HD3 LYS 65 2HD LYS 65 -19.444 -6.142 0.019 516 HE2 LYS 65 1HE LYS 65 -21.161 -4.767 -0.748 517 HE3 LYS 65 2HE LYS 65 -20.704 -4.944 -2.431 518 HZ1 LYS 65 1HZ LYS 65 -22.609 -6.381 -1.017 519 HZ2 LYS 65 2HZ LYS 65 -22.222 -6.506 -2.599 520 HZ3 LYS 65 3HZ LYS 65 -21.457 -7.436 -1.495 521 H VAL 66 H VAL 66 -15.151 -4.813 -4.167 522 HA VAL 66 HA VAL 66 -13.172 -3.081 -3.040 523 HB VAL 66 HB VAL 66 -12.648 -2.546 -5.263 524 HG11 VAL 66 1HG1 VAL 66 -12.542 -4.750 -6.407 525 HG12 VAL 66 2HG1 VAL 66 -12.053 -4.830 -4.697 526 HG13 VAL 66 3HG1 VAL 66 -13.663 -5.407 -5.191 527 HG21 VAL 66 1HG2 VAL 66 -14.860 -1.901 -6.058 528 HG22 VAL 66 2HG2 VAL 66 -14.115 -3.054 -7.190 529 HG23 VAL 66 3HG2 VAL 66 -15.381 -3.603 -6.065 530 H GLU 67 H GLU 67 -16.548 -2.849 -4.208 531 HA GLU 67 HA GLU 67 -16.692 -0.118 -4.409 532 HB2 GLU 67 1HB GLU 67 -18.743 -2.250 -3.732 533 HB3 GLU 67 2HB GLU 67 -19.201 -0.561 -3.820 534 HG2 GLU 67 1HG GLU 67 -18.272 -0.447 -6.154 535 HG3 GLU 67 2HG GLU 67 -17.861 -2.148 -6.062 536 H GLU 68 H GLU 68 -16.939 -2.280 -1.555 537 HA GLU 68 HA GLU 68 -17.565 -0.022 0.116 538 HB2 GLU 68 1HB GLU 68 -17.258 -3.002 0.655 539 HB3 GLU 68 2HB GLU 68 -17.515 -1.840 1.941 540 HG2 GLU 68 1HG GLU 68 -19.518 -1.075 0.245 541 HG3 GLU 68 2HG GLU 68 -19.410 -2.769 -0.187 542 H SER 69 H SER 69 -14.798 -1.617 -1.153 543 HA SER 69 HA SER 69 -13.099 -1.452 1.040 544 HB2 SER 69 1HB SER 69 -12.627 -1.502 -1.962 545 HB3 SER 69 2HB SER 69 -11.292 -1.428 -0.830 546 HG SER 69 HG SER 69 -13.346 -3.474 -0.845 547 H SER 70 H SER 70 -11.548 0.165 1.656 548 HA SER 70 HA SER 70 -11.498 2.595 0.147 549 HB2 SER 70 1HB SER 70 -12.391 2.679 3.061 550 HB3 SER 70 2HB SER 70 -12.214 4.048 1.981 551 HG SER 70 HG SER 70 -13.984 3.326 0.740 552 H TRP 71 H TRP 71 -9.448 3.497 0.294 553 HA TRP 71 HA TRP 71 -7.729 2.412 2.418 554 HB2 TRP 71 1HB TRP 71 -5.914 2.453 0.961 555 HB3 TRP 71 2HB TRP 71 -7.230 1.768 0.028 556 HD1 TRP 71 HD TRP 71 -8.325 3.443 -1.910 557 HE1 TRP 71 1HE TRP 71 -7.327 5.426 -3.337 558 HE3 TRP 71 3HE TRP 71 -4.320 4.295 1.106 559 HZ2 TRP 71 2HZ TRP 71 -5.027 7.090 -3.051 560 HZ3 TRP 71 3HZ TRP 71 -2.747 6.117 0.459 561 HH2 TRP 71 HH TRP 71 -3.049 7.491 -1.539 562 H LEU 72 H LEU 72 -5.959 4.002 3.097 563 HA LEU 72 HA LEU 72 -6.498 6.772 2.577 564 HB2 LEU 72 1HB LEU 72 -7.448 7.427 4.493 565 HB3 LEU 72 2HB LEU 72 -8.082 5.794 4.472 566 HG LEU 72 HG LEU 72 -5.655 5.522 5.806 567 HD11 LEU 72 1HD1 LEU 72 -5.063 7.411 6.801 568 HD12 LEU 72 2HD1 LEU 72 -6.361 8.267 5.935 569 HD13 LEU 72 3HD1 LEU 72 -6.677 7.558 7.537 570 HD21 LEU 72 1HD2 LEU 72 -7.259 4.257 6.754 571 HD22 LEU 72 2HD2 LEU 72 -7.424 5.649 7.850 572 HD23 LEU 72 3HD2 LEU 72 -8.536 5.464 6.473 573 H ILE 73 H ILE 73 -4.957 8.057 4.327 574 HA ILE 73 HA ILE 73 -2.449 6.529 4.371 575 HB ILE 73 HB ILE 73 -2.835 9.433 3.635 576 HG12 ILE 73 1HG1 ILE 73 -1.836 7.173 1.887 577 HG13 ILE 73 2HG1 ILE 73 -3.512 7.684 1.923 578 HG21 ILE 73 1HG2 ILE 73 -0.255 7.863 3.574 579 HG22 ILE 73 2HG2 ILE 73 -0.496 9.616 3.387 580 HG23 ILE 73 3HG2 ILE 73 -0.756 8.847 4.971 581 HD11 ILE 73 1HD1 ILE 73 -2.848 9.990 1.282 582 HD12 ILE 73 2HD1 ILE 73 -1.139 9.493 1.273 583 HD13 ILE 73 3HD1 ILE 73 -2.273 8.802 0.087 584 H GLU 74 H GLU 74 -1.909 6.129 6.444 585 HA GLU 74 HA GLU 74 -2.888 7.969 8.443 586 HB2 GLU 74 1HB GLU 74 -1.835 5.143 8.458 587 HB3 GLU 74 2HB GLU 74 -1.739 6.073 9.940 588 HG2 GLU 74 1HG GLU 74 -4.365 6.474 8.790 589 HG3 GLU 74 2HG GLU 74 -4.037 4.753 8.817 590 H ASP 75 H ASP 75 -1.558 9.246 9.762 591 HA ASP 75 HA ASP 75 0.207 10.315 10.427 592 HB2 ASP 75 1HB ASP 75 1.110 7.631 10.223 593 HB3 ASP 75 2HB ASP 75 2.365 8.581 9.454 594 H GLY 76 H GLY 76 -0.705 9.972 7.383 595 HA2 GLY 76 1HA GLY 76 -0.190 10.896 5.402 596 HA3 GLY 76 2HA GLY 76 0.819 12.024 6.286 597 H LYS 77 H LYS 77 1.087 8.423 5.906 598 HA LYS 77 HA LYS 77 3.178 8.550 4.038 599 HB2 LYS 77 1HB LYS 77 4.959 7.669 5.701 600 HB3 LYS 77 2HB LYS 77 4.686 9.395 5.574 601 HG2 LYS 77 1HG LYS 77 3.905 9.549 7.715 602 HG3 LYS 77 2HG LYS 77 2.881 8.138 7.538 603 HD2 LYS 77 1HD LYS 77 4.369 6.856 8.670 604 HD3 LYS 77 2HD LYS 77 5.638 7.258 7.531 605 HE2 LYS 77 1HE LYS 77 5.548 9.596 8.955 606 HE3 LYS 77 2HE LYS 77 5.021 8.478 10.197 607 HZ1 LYS 77 1HZ LYS 77 7.114 7.892 10.422 608 HZ2 LYS 77 2HZ LYS 77 7.149 7.303 8.900 609 HZ3 LYS 77 3HZ LYS 77 7.589 8.849 9.187 610 H VAL 78 H VAL 78 1.630 6.834 6.798 611 HA VAL 78 HA VAL 78 2.224 4.273 5.624 612 HB VAL 78 HB VAL 78 0.516 5.077 7.988 613 HG11 VAL 78 1HG1 VAL 78 0.050 2.909 8.377 614 HG12 VAL 78 2HG1 VAL 78 0.462 2.670 6.662 615 HG13 VAL 78 3HG1 VAL 78 1.685 2.374 7.922 616 HG21 VAL 78 1HG2 VAL 78 3.431 4.314 7.732 617 HG22 VAL 78 2HG2 VAL 78 2.715 5.747 8.508 618 HG23 VAL 78 3HG2 VAL 78 2.540 4.144 9.263 619 H VAL 79 H VAL 79 1.089 3.445 3.954 620 HA VAL 79 HA VAL 79 -1.541 4.555 3.416 621 HB VAL 79 HB VAL 79 0.414 2.843 1.892 622 HG11 VAL 79 1HG1 VAL 79 -2.464 2.873 1.617 623 HG12 VAL 79 2HG1 VAL 79 -1.698 3.554 0.162 624 HG13 VAL 79 3HG1 VAL 79 -1.251 1.925 0.723 625 HG21 VAL 79 1HG2 VAL 79 1.081 5.034 1.615 626 HG22 VAL 79 2HG2 VAL 79 -0.049 4.855 0.251 627 HG23 VAL 79 3HG2 VAL 79 -0.576 5.673 1.741 628 H THR 80 H THR 80 -3.322 3.616 4.258 629 HA THR 80 HA THR 80 -3.123 0.771 4.973 630 HB THR 80 HB THR 80 -5.205 1.499 6.391 631 HG1 THR 80 1HG THR 80 -5.646 3.545 5.534 632 HG21 THR 80 1HG2 THR 80 -3.709 2.848 8.029 633 HG22 THR 80 2HG2 THR 80 -3.155 1.202 7.637 634 HG23 THR 80 3HG2 THR 80 -2.396 2.608 6.851 635 H VAL 81 H VAL 81 -4.652 -0.732 4.304 636 HA VAL 81 HA VAL 81 -6.555 0.275 2.309 637 HB VAL 81 HB VAL 81 -4.719 -2.118 2.119 638 HG11 VAL 81 1HG1 VAL 81 -6.852 -2.827 1.282 639 HG12 VAL 81 2HG1 VAL 81 -7.067 -1.310 0.376 640 HG13 VAL 81 3HG1 VAL 81 -5.814 -2.474 -0.120 641 HG21 VAL 81 1HG2 VAL 81 -3.566 -0.123 1.484 642 HG22 VAL 81 2HG2 VAL 81 -4.024 -0.962 -0.017 643 HG23 VAL 81 3HG2 VAL 81 -4.954 0.454 0.530 644 H HIS 82 H HIS 82 -8.626 -0.465 2.564 645 HA HIS 82 HA HIS 82 -8.959 -2.568 4.578 646 HB2 HIS 82 1HB HIS 82 -9.767 -0.506 5.467 647 HB3 HIS 82 2HB HIS 82 -10.619 -0.112 3.987 648 HD1 HIS 82 1HD HIS 82 -10.981 -1.939 7.198 649 HD2 HIS 82 2HD HIS 82 -13.021 -1.678 3.542 650 HE1 HIS 82 1HE HIS 82 -13.285 -2.964 7.590 651 H LEU 83 H LEU 83 -9.640 -4.467 3.737 652 HA LEU 83 HA LEU 83 -11.235 -4.315 1.274 653 HB2 LEU 83 1HB LEU 83 -9.348 -6.490 2.189 654 HB3 LEU 83 2HB LEU 83 -10.333 -6.535 0.740 655 HG LEU 83 HG LEU 83 -8.136 -4.520 1.289 656 HD11 LEU 83 1HD1 LEU 83 -7.129 -5.859 -0.741 657 HD12 LEU 83 2HD1 LEU 83 -6.921 -6.431 0.931 658 HD13 LEU 83 3HD1 LEU 83 -8.162 -7.165 -0.112 659 HD21 LEU 83 1HD2 LEU 83 -9.582 -3.413 -0.148 660 HD22 LEU 83 2HD2 LEU 83 -8.431 -4.187 -1.264 661 HD23 LEU 83 3HD2 LEU 83 -10.041 -4.903 -1.006 662 H GLU 84 H GLU 84 -13.074 -5.691 1.091 663 HA GLU 84 HA GLU 84 -13.906 -6.745 3.683 664 HB2 GLU 84 1HB GLU 84 -15.137 -4.693 2.562 665 HB3 GLU 84 2HB GLU 84 -15.866 -5.910 1.533 666 HG2 GLU 84 1HG GLU 84 -15.873 -6.259 4.549 667 HG3 GLU 84 2HG GLU 84 -17.069 -5.237 3.779 668 H LYS 85 H LYS 85 -13.837 -8.948 3.693 669 HA LYS 85 HA LYS 85 -13.548 -10.490 1.411 670 HB2 LYS 85 1HB LYS 85 -14.545 -11.262 4.170 671 HB3 LYS 85 2HB LYS 85 -14.050 -12.396 2.930 672 HG2 LYS 85 1HG LYS 85 -11.772 -11.513 2.923 673 HG3 LYS 85 2HG LYS 85 -12.228 -10.173 3.955 674 HD2 LYS 85 1HD LYS 85 -12.454 -11.544 5.872 675 HD3 LYS 85 2HD LYS 85 -12.691 -13.002 4.930 676 HE2 LYS 85 1HE LYS 85 -10.251 -12.680 4.100 677 HE3 LYS 85 2HE LYS 85 -10.088 -11.478 5.364 678 HZ1 LYS 85 1HZ LYS 85 -9.993 -13.056 6.894 679 HZ2 LYS 85 2HZ LYS 85 -11.252 -13.901 6.288 680 HZ3 LYS 85 3HZ LYS 85 -9.752 -14.120 5.680 681 H ILE 86 H ILE 86 -14.926 -11.147 -0.152 682 HA ILE 86 HA ILE 86 -17.586 -10.257 -0.147 683 HB ILE 86 HB ILE 86 -16.090 -12.235 -1.863 684 HG12 ILE 86 1HG1 ILE 86 -15.353 -9.823 -1.834 685 HG13 ILE 86 2HG1 ILE 86 -15.805 -10.463 -3.402 686 HG21 ILE 86 1HG2 ILE 86 -18.947 -11.350 -1.935 687 HG22 ILE 86 2HG2 ILE 86 -18.079 -11.594 -3.470 688 HG23 ILE 86 3HG2 ILE 86 -18.225 -12.934 -2.308 689 HD11 ILE 86 1HD1 ILE 86 -17.021 -8.277 -1.867 690 HD12 ILE 86 2HD1 ILE 86 -17.201 -8.684 -3.591 691 HD13 ILE 86 3HD1 ILE 86 -18.230 -9.481 -2.376 692 H ASN 87 H ASN 87 -15.998 -13.080 1.191 693 HA ASN 87 HA ASN 87 -18.526 -14.466 1.365 694 HB2 ASN 87 1HB ASN 87 -15.943 -15.377 0.978 695 HB3 ASN 87 2HB ASN 87 -16.096 -15.590 2.711 696 HD21 ASN 87 1HD2 ASN 87 -16.022 -17.822 2.486 697 HD22 ASN 87 2HD2 ASN 87 -17.367 -18.759 1.929 698 H LYS 88 H LYS 88 -15.719 -13.557 3.520 699 HA LYS 88 HA LYS 88 -15.784 -12.510 5.516 700 HB2 LYS 88 1HB LYS 88 -17.642 -11.506 6.262 701 HB3 LYS 88 2HB LYS 88 -18.373 -12.057 4.768 702 HG2 LYS 88 1HG LYS 88 -19.235 -14.081 5.868 703 HG3 LYS 88 2HG LYS 88 -18.370 -13.699 7.343 704 HD2 LYS 88 1HD LYS 88 -19.753 -11.399 7.150 705 HD3 LYS 88 2HD LYS 88 -20.835 -12.393 6.194 706 HE2 LYS 88 1HE LYS 88 -20.908 -14.064 8.100 707 HE3 LYS 88 2HE LYS 88 -19.927 -12.970 9.055 708 HZ1 LYS 88 1HZ LYS 88 -22.532 -12.896 9.075 709 HZ2 LYS 88 2HZ LYS 88 -21.635 -11.551 9.301 710 HZ3 LYS 88 3HZ LYS 88 -22.297 -11.855 7.839 711 H MET 89 H MET 89 -14.887 -13.526 7.243 712 HA MET 89 HA MET 89 -14.536 -15.023 8.800 713 HB2 MET 89 1HB MET 89 -17.040 -16.471 7.769 714 HB3 MET 89 2HB MET 89 -16.237 -16.804 9.291 715 HG2 MET 89 1HG MET 89 -16.954 -14.781 10.277 716 HG3 MET 89 2HG MET 89 -17.150 -13.974 8.734 717 HE1 MET 89 1HE MET 89 -20.058 -16.915 10.722 718 HE2 MET 89 2HE MET 89 -18.444 -17.465 10.213 719 HE3 MET 89 3HE MET 89 -18.601 -16.181 11.435 720 H GLU 90 H GLU 90 -12.978 -15.196 6.632 721 HA GLU 90 HA GLU 90 -12.683 -18.058 6.341 722 HB2 GLU 90 1HB GLU 90 -13.883 -17.460 4.315 723 HB3 GLU 90 2HB GLU 90 -12.832 -16.089 4.022 724 HG2 GLU 90 1HG GLU 90 -10.990 -17.460 3.408 725 HG3 GLU 90 2HG GLU 90 -11.641 -18.871 4.219 726 H TRP 91 H TRP 91 -10.803 -18.135 7.581 727 HA TRP 91 HA TRP 91 -8.846 -16.200 7.676 728 HB2 TRP 91 1HB TRP 91 -9.125 -18.083 9.251 729 HB3 TRP 91 2HB TRP 91 -8.523 -19.185 8.029 730 HD1 TRP 91 HD TRP 91 -5.962 -19.646 8.228 731 HE1 TRP 91 1HE TRP 91 -3.819 -18.507 9.265 732 HE3 TRP 91 3HE TRP 91 -8.314 -15.408 9.765 733 HZ2 TRP 91 2HZ TRP 91 -3.358 -16.018 10.582 734 HZ3 TRP 91 3HZ TRP 91 -6.945 -13.673 10.919 735 HH2 TRP 91 HH TRP 91 -4.549 -13.926 11.334 736 H TRP 92 H TRP 92 -7.612 -15.391 6.037 737 HA TRP 92 HA TRP 92 -7.363 -16.856 3.588 738 HB2 TRP 92 1HB TRP 92 -6.506 -14.155 4.572 739 HB3 TRP 92 2HB TRP 92 -5.831 -14.806 3.091 740 HD1 TRP 92 HD TRP 92 -9.414 -15.859 3.485 741 HE1 TRP 92 1HE TRP 92 -11.055 -14.488 1.940 742 HE3 TRP 92 3HE TRP 92 -6.044 -12.278 2.191 743 HZ2 TRP 92 2HZ TRP 92 -10.767 -12.113 0.384 744 HZ3 TRP 92 3HZ TRP 92 -6.805 -10.468 0.655 745 HH2 TRP 92 HH TRP 92 -9.076 -10.349 -0.242 746 H ASN 93 H ASN 93 -5.681 -18.192 3.013 747 HA ASN 93 HA ASN 93 -3.761 -18.784 4.997 748 HB2 ASN 93 1HB ASN 93 -4.756 -19.958 2.531 749 HB3 ASN 93 2HB ASN 93 -3.006 -19.904 2.446 750 HD21 ASN 93 1HD2 ASN 93 -1.857 -20.587 4.492 751 HD22 ASN 93 2HD2 ASN 93 -2.439 -22.004 5.301 752 H ARG 94 H ARG 94 -4.064 -16.420 2.523 753 HA ARG 94 HA ARG 94 -1.549 -15.386 2.987 754 HB2 ARG 94 1HB ARG 94 -0.896 -15.713 0.372 755 HB3 ARG 94 2HB ARG 94 -0.352 -16.821 1.616 756 HG2 ARG 94 1HG ARG 94 -1.270 -18.320 0.074 757 HG3 ARG 94 2HG ARG 94 -2.639 -18.072 1.140 758 HD2 ARG 94 1HD ARG 94 -3.772 -16.688 -0.403 759 HD3 ARG 94 2HD ARG 94 -2.299 -16.215 -1.225 760 HE ARG 94 HE ARG 94 -3.948 -18.447 -1.915 761 HH11 ARG 94 2HH2 ARG 94 -0.545 -17.621 -1.575 762 HH12 ARG 94 1HH2 ARG 94 -0.013 -18.789 -2.738 763 HH21 ARG 94 2HH1 ARG 94 -3.248 -19.988 -3.450 764 HH22 ARG 94 1HH1 ARG 94 -1.561 -20.145 -3.812 765 H LEU 95 H LEU 95 -1.847 -13.201 2.631 766 HA LEU 95 HA LEU 95 -4.131 -12.092 1.733 767 HB2 LEU 95 1HB LEU 95 -2.129 -11.045 2.890 768 HB3 LEU 95 2HB LEU 95 -1.418 -10.851 1.300 769 HG LEU 95 HG LEU 95 -3.475 -9.523 0.645 770 HD11 LEU 95 1HD1 LEU 95 -4.190 -10.215 3.415 771 HD12 LEU 95 2HD1 LEU 95 -4.396 -8.496 3.003 772 HD13 LEU 95 3HD1 LEU 95 -5.216 -9.747 2.038 773 HD21 LEU 95 1HD2 LEU 95 -1.290 -8.510 1.205 774 HD22 LEU 95 2HD2 LEU 95 -2.669 -7.471 1.638 775 HD23 LEU 95 3HD2 LEU 95 -1.808 -8.380 2.903 776 H VAL 96 H VAL 96 -1.150 -12.626 -0.276 777 HA VAL 96 HA VAL 96 -2.937 -12.597 -2.610 778 HB VAL 96 HB VAL 96 -0.891 -11.760 -3.840 779 HG11 VAL 96 1HG1 VAL 96 -1.768 -9.690 -3.718 780 HG12 VAL 96 2HG1 VAL 96 -2.944 -10.422 -2.600 781 HG13 VAL 96 3HG1 VAL 96 -1.513 -9.579 -1.959 782 HG21 VAL 96 1HG2 VAL 96 0.054 -11.122 -1.024 783 HG22 VAL 96 2HG2 VAL 96 0.783 -12.316 -2.124 784 HG23 VAL 96 3HG2 VAL 96 0.821 -10.585 -2.537 785 H THR 97 H THR 97 -2.024 -13.896 -4.488 786 HA THR 97 HA THR 97 -0.973 -16.392 -3.398 787 HB THR 97 HB THR 97 -1.739 -17.239 -5.666 788 HG1 THR 97 1HG THR 97 -2.301 -15.646 -7.120 789 HG21 THR 97 1HG2 THR 97 -4.126 -15.663 -4.952 790 HG22 THR 97 2HG2 THR 97 -3.891 -17.427 -4.901 791 HG23 THR 97 3HG2 THR 97 -3.383 -16.421 -3.523 792 H SER 98 H SER 98 -0.048 -13.642 -5.414 793 HA SER 98 HA SER 98 2.466 -15.044 -5.891 794 HB2 SER 98 1HB SER 98 0.683 -13.757 -7.744 795 HB3 SER 98 2HB SER 98 2.147 -12.796 -7.676 796 HG SER 98 HG SER 98 3.216 -15.092 -7.851 797 H ASP 99 H ASP 99 3.734 -14.291 -4.184 798 HA ASP 99 HA ASP 99 3.462 -11.747 -3.115 799 HB2 ASP 99 1HB ASP 99 5.863 -12.296 -2.221 800 HB3 ASP 99 2HB ASP 99 4.522 -13.299 -1.703 801 HA PRO 100 HA PRO 100 6.033 -9.431 -5.808 802 HB2 PRO 100 1HB PRO 100 7.089 -7.520 -4.165 803 HB3 PRO 100 2HB PRO 100 5.462 -7.435 -4.811 804 HG2 PRO 100 1HG PRO 100 6.335 -8.121 -2.071 805 HG3 PRO 100 2HG PRO 100 4.750 -7.621 -2.625 806 HD2 PRO 100 1HD PRO 100 5.570 -10.285 -1.952 807 HD3 PRO 100 2HD PRO 100 4.023 -9.802 -2.616 808 H GLU 101 H GLU 101 8.036 -9.211 -2.921 809 HA GLU 101 HA GLU 101 10.107 -10.486 -4.534 810 HB2 GLU 101 1HB GLU 101 10.329 -8.316 -2.408 811 HB3 GLU 101 2HB GLU 101 11.719 -9.185 -3.029 812 HG2 GLU 101 1HG GLU 101 10.008 -8.193 -5.208 813 HG3 GLU 101 2HG GLU 101 10.530 -6.890 -4.160 814 H ILE 102 H ILE 102 9.150 -9.842 -1.079 815 HA ILE 102 HA ILE 102 10.196 -12.509 -0.446 816 HB ILE 102 HB ILE 102 9.620 -10.358 1.565 817 HG12 ILE 102 1HG1 ILE 102 12.185 -10.649 -0.029 818 HG13 ILE 102 2HG1 ILE 102 11.038 -9.331 -0.168 819 HG21 ILE 102 1HG2 ILE 102 11.252 -11.530 2.897 820 HG22 ILE 102 2HG2 ILE 102 10.036 -12.689 2.308 821 HG23 ILE 102 3HG2 ILE 102 11.640 -12.616 1.541 822 HD11 ILE 102 1HD1 ILE 102 12.102 -8.270 1.523 823 HD12 ILE 102 2HD1 ILE 102 11.616 -9.585 2.619 824 HD13 ILE 102 3HD1 ILE 102 13.172 -9.673 1.759 825 H ASN 103 H ASN 103 8.942 -13.831 1.085 826 HA ASN 103 HA ASN 103 6.121 -13.380 0.604 827 HB2 ASN 103 1HB ASN 103 5.985 -15.818 1.504 828 HB3 ASN 103 2HB ASN 103 6.762 -15.596 -0.051 829 HD21 ASN 103 1HD2 ASN 103 6.986 -17.122 2.816 830 HD22 ASN 103 2HD2 ASN 103 8.692 -17.397 2.937 831 H THR 104 H THR 104 8.588 -14.065 3.160 832 HA THR 104 HA THR 104 7.121 -12.615 5.114 833 HB THR 104 HB THR 104 5.955 -14.972 4.868 834 HG1 THR 104 1HG THR 104 5.701 -14.815 7.219 835 HG21 THR 104 1HG2 THR 104 8.303 -16.149 5.080 836 HG22 THR 104 2HG2 THR 104 8.183 -15.721 6.804 837 HG23 THR 104 3HG2 THR 104 6.959 -16.780 6.063 838 H LYS 105 H LYS 105 8.261 -13.630 7.442 839 HA LYS 105 HA LYS 105 11.117 -13.330 6.815 840 HB2 LYS 105 1HB LYS 105 10.505 -11.315 7.842 841 HB3 LYS 105 2HB LYS 105 9.415 -12.095 8.971 842 HG2 LYS 105 1HG LYS 105 11.413 -13.233 10.039 843 HG3 LYS 105 2HG LYS 105 12.461 -12.325 8.968 844 HD2 LYS 105 1HD LYS 105 10.431 -10.893 10.718 845 HD3 LYS 105 2HD LYS 105 11.983 -11.380 11.372 846 HE2 LYS 105 1HE LYS 105 11.733 -9.731 8.817 847 HE3 LYS 105 2HE LYS 105 11.846 -8.993 10.402 848 HZ1 LYS 105 1HZ LYS 105 13.910 -10.340 10.686 849 HZ2 LYS 105 2HZ LYS 105 13.836 -10.700 9.095 850 HZ3 LYS 105 3HZ LYS 105 14.005 -9.148 9.574 851 H LYS 106 H LYS 106 12.613 -14.474 8.242 852 HA LYS 106 HA LYS 106 11.603 -17.067 8.866 853 HB2 LYS 106 1HB LYS 106 14.289 -15.725 8.894 854 HB3 LYS 106 2HB LYS 106 14.082 -17.246 9.737 855 HG2 LYS 106 1HG LYS 106 12.833 -17.318 7.075 856 HG3 LYS 106 2HG LYS 106 14.533 -16.904 6.972 857 HD2 LYS 106 1HD LYS 106 14.777 -19.198 7.008 858 HD3 LYS 106 2HD LYS 106 14.748 -18.939 8.741 859 HE2 LYS 106 1HE LYS 106 12.836 -20.144 8.942 860 HE3 LYS 106 2HE LYS 106 12.012 -19.106 7.795 861 HZ1 LYS 106 1HZ LYS 106 12.103 -21.351 7.007 862 HZ2 LYS 106 2HZ LYS 106 12.996 -20.406 6.018 863 HZ3 LYS 106 3HZ LYS 106 13.733 -21.384 7.098 864 H ILE 107 H ILE 107 10.436 -17.482 10.661 865 HA ILE 107 HA ILE 107 10.918 -15.813 13.001 866 HB ILE 107 HB ILE 107 8.715 -17.795 12.414 867 HG12 ILE 107 1HG1 ILE 107 8.379 -16.107 10.844 868 HG13 ILE 107 2HG1 ILE 107 7.360 -15.629 12.187 869 HG21 ILE 107 1HG2 ILE 107 8.839 -15.672 14.568 870 HG22 ILE 107 2HG2 ILE 107 7.586 -16.912 14.326 871 HG23 ILE 107 3HG2 ILE 107 9.224 -17.390 14.832 872 HD11 ILE 107 1HD1 ILE 107 10.045 -14.477 11.363 873 HD12 ILE 107 2HD1 ILE 107 8.497 -13.631 11.595 874 HD13 ILE 107 3HD1 ILE 107 9.404 -14.229 13.005 875 H ASN 108 H ASN 108 10.164 -19.330 12.472 876 HA ASN 108 HA ASN 108 11.630 -19.959 14.816 877 HB2 ASN 108 1HB ASN 108 11.023 -22.318 14.233 878 HB3 ASN 108 2HB ASN 108 9.623 -21.266 14.169 879 HD21 ASN 108 1HD2 ASN 108 9.291 -23.488 12.895 880 HD22 ASN 108 2HD2 ASN 108 9.414 -23.344 11.173 881 HA PRO 109 HA PRO 109 15.395 -20.945 12.795 882 HB2 PRO 109 1HB PRO 109 16.448 -22.893 14.396 883 HB3 PRO 109 2HB PRO 109 16.520 -21.187 14.789 884 HG2 PRO 109 1HG PRO 109 14.788 -23.284 15.948 885 HG3 PRO 109 2HG PRO 109 15.181 -21.703 16.595 886 HD2 PRO 109 1HD PRO 109 12.731 -22.475 15.319 887 HD3 PRO 109 2HD PRO 109 13.169 -20.867 15.862 888 H GLU 110 H GLU 110 13.881 -23.977 13.812 889 HA GLU 110 HA GLU 110 14.378 -24.871 11.081 890 HB2 GLU 110 1HB GLU 110 14.878 -27.111 11.901 891 HB3 GLU 110 2HB GLU 110 15.934 -25.966 12.704 892 HG2 GLU 110 1HG GLU 110 13.500 -26.198 14.256 893 HG3 GLU 110 2HG GLU 110 14.081 -27.813 13.901 894 H ASN 111 H ASN 111 13.023 -27.508 12.231 895 HA ASN 111 HA ASN 111 10.504 -26.951 13.063 896 HB2 ASN 111 1HB ASN 111 10.753 -25.997 10.440 897 HB3 ASN 111 2HB ASN 111 10.063 -27.588 10.191 898 HD21 ASN 111 1HD2 ASN 111 8.625 -25.441 9.489 899 HD22 ASN 111 2HD2 ASN 111 7.281 -25.181 10.550 900 H SER 112 H SER 112 9.302 -28.977 13.244 901 HA SER 112 HA SER 112 10.345 -31.229 11.789 902 HB2 SER 112 1HB SER 112 10.577 -30.882 14.782 903 HB3 SER 112 2HB SER 112 10.324 -32.489 14.131 904 HG SER 112 HG SER 112 12.225 -31.941 12.660 905 H LYS 113 H LYS 113 8.141 -30.879 10.842 906 HA LYS 113 HA LYS 113 6.187 -32.362 12.386 907 HB2 LYS 113 1HB LYS 113 5.699 -29.539 11.400 908 HB3 LYS 113 2HB LYS 113 4.422 -30.642 11.871 909 HG2 LYS 113 1HG LYS 113 5.690 -30.913 14.119 910 HG3 LYS 113 2HG LYS 113 6.659 -29.540 13.623 911 HD2 LYS 113 1HD LYS 113 5.038 -28.210 14.497 912 HD3 LYS 113 2HD LYS 113 4.036 -28.671 13.135 913 HE2 LYS 113 1HE LYS 113 4.156 -30.556 15.489 914 HE3 LYS 113 2HE LYS 113 3.242 -29.073 15.678 915 HZ1 LYS 113 1HZ LYS 113 2.087 -31.108 14.728 916 HZ2 LYS 113 2HZ LYS 113 1.814 -29.673 13.998 917 HZ3 LYS 113 3HZ LYS 113 2.839 -30.750 13.323 918 H LEU 114 H LEU 114 4.078 -32.496 10.802 919 HA LEU 114 HA LEU 114 5.011 -32.745 8.054 920 HB2 LEU 114 1HB LEU 114 5.431 -34.910 8.429 921 HB3 LEU 114 2HB LEU 114 4.460 -34.970 9.887 922 HG LEU 114 HG LEU 114 2.410 -34.972 8.346 923 HD11 LEU 114 1HD1 LEU 114 3.761 -34.225 6.335 924 HD12 LEU 114 2HD1 LEU 114 4.389 -35.889 6.254 925 HD13 LEU 114 3HD1 LEU 114 2.644 -35.586 6.076 926 HD21 LEU 114 1HD2 LEU 114 3.402 -37.517 7.655 927 HD22 LEU 114 2HD2 LEU 114 4.181 -37.077 9.193 928 HD23 LEU 114 3HD2 LEU 114 2.406 -37.071 9.061 929 H SER 115 H SER 115 3.625 -31.447 6.977 930 HA SER 115 HA SER 115 0.975 -32.052 6.758 931 HB2 SER 115 1HB SER 115 1.454 -30.662 9.192 932 HB3 SER 115 2HB SER 115 0.748 -29.477 8.110 933 HG SER 115 HG SER 115 -0.940 -31.182 7.654 934 H ASP 116 H ASP 116 1.791 -31.687 4.574 935 HA ASP 116 HA ASP 116 1.947 -28.840 3.972 936 HB2 ASP 116 1HB ASP 116 3.902 -30.923 3.490 937 HB3 ASP 116 2HB ASP 116 3.293 -30.377 1.940 938 H LEU 117 H LEU 117 -0.318 -28.826 3.343 939 HA LEU 117 HA LEU 117 -0.987 -30.629 1.126 940 HB2 LEU 117 1HB LEU 117 -2.577 -31.110 2.658 941 HB3 LEU 117 2HB LEU 117 -2.490 -29.538 3.429 942 HG LEU 117 HG LEU 117 -3.761 -28.557 1.530 943 HD11 LEU 117 1HD1 LEU 117 -4.595 -31.249 0.576 944 HD12 LEU 117 2HD1 LEU 117 -4.472 -29.702 -0.296 945 HD13 LEU 117 3HD1 LEU 117 -3.004 -30.649 0.050 946 HD21 LEU 117 1HD2 LEU 117 -5.692 -30.576 2.246 947 HD22 LEU 117 2HD2 LEU 117 -4.696 -30.141 3.657 948 HD23 LEU 117 3HD2 LEU 117 -5.576 -28.877 2.765 949 H ASP 118 H ASP 118 -1.080 -29.774 -0.878 950 HA ASP 118 HA ASP 118 -2.199 -27.250 -1.317 951 HB2 ASP 118 1HB ASP 118 -0.007 -26.446 -0.514 952 HB3 ASP 118 2HB ASP 118 0.827 -27.519 -1.620 953 H SER 119 H SER 119 -3.127 -27.523 -3.356 954 HA SER 119 HA SER 119 -1.734 -28.333 -5.572 955 HB2 SER 119 1HB SER 119 -2.784 -30.567 -3.956 956 HB3 SER 119 2HB SER 119 -3.379 -30.598 -5.604 957 HG SER 119 HG SER 119 -0.858 -30.088 -5.983 958 H GLU 120 H GLU 120 -2.895 -26.709 -6.635 959 HA GLU 120 HA GLU 120 -5.748 -27.244 -6.873 960 HB2 GLU 120 1HB GLU 120 -6.262 -24.879 -6.759 961 HB3 GLU 120 2HB GLU 120 -5.309 -25.290 -5.347 962 HG2 GLU 120 1HG GLU 120 -3.332 -24.621 -7.181 963 HG3 GLU 120 2HG GLU 120 -4.624 -23.530 -7.641 964 H THR 121 H THR 121 -5.824 -24.698 -8.634 965 HA THR 121 HA THR 121 -4.063 -25.075 -10.790 966 HB THR 121 HB THR 121 -5.418 -27.230 -10.935 967 HG1 THR 121 1HG THR 121 -5.933 -26.675 -13.261 968 HG21 THR 121 1HG2 THR 121 -7.649 -26.358 -10.242 969 HG22 THR 121 2HG2 THR 121 -7.641 -25.235 -11.623 970 HG23 THR 121 3HG2 THR 121 -7.719 -26.991 -11.904 971 H ARG 122 H ARG 122 -4.895 -23.839 -12.798 972 HA ARG 122 HA ARG 122 -6.577 -21.675 -11.815 973 HB2 ARG 122 1HB ARG 122 -5.180 -20.098 -13.165 974 HB3 ARG 122 2HB ARG 122 -4.232 -20.906 -11.934 975 HG2 ARG 122 1HG ARG 122 -3.667 -22.662 -13.788 976 HG3 ARG 122 2HG ARG 122 -4.294 -21.481 -14.921 977 HD2 ARG 122 1HD ARG 122 -2.541 -20.039 -13.183 978 HD3 ARG 122 2HD ARG 122 -1.706 -21.528 -13.578 979 HE ARG 122 HE ARG 122 -2.236 -19.331 -15.386 980 HH11 ARG 122 2HH2 ARG 122 -1.937 -22.835 -15.275 981 HH12 ARG 122 1HH2 ARG 122 -1.471 -22.976 -16.937 982 HH21 ARG 122 2HH1 ARG 122 -1.621 -19.515 -17.579 983 HH22 ARG 122 1HH1 ARG 122 -1.290 -21.075 -18.257 984 H SER 123 H SER 123 -8.371 -21.304 -13.097 985 HA SER 123 HA SER 123 -8.316 -21.304 -15.841 986 HB2 SER 123 1HB SER 123 -9.662 -23.369 -16.340 987 HB3 SER 123 2HB SER 123 -8.027 -23.712 -15.811 988 HG SER 123 HG SER 123 -8.847 -24.163 -13.675 989 H MET 124 H MET 124 -10.758 -21.416 -16.719 990 HA MET 124 HA MET 124 -12.313 -20.016 -14.703 991 HB2 MET 124 1HB MET 124 -11.962 -19.871 -17.668 992 HB3 MET 124 2HB MET 124 -13.630 -19.717 -17.153 993 HG2 MET 124 1HG MET 124 -12.078 -18.095 -15.367 994 HG3 MET 124 2HG MET 124 -11.491 -17.756 -16.983 995 HE1 MET 124 1HE MET 124 -13.943 -15.904 -14.727 996 HE2 MET 124 2HE MET 124 -12.376 -15.674 -15.538 997 HE3 MET 124 3HE MET 124 -13.829 -14.854 -16.160 998 H VAL 125 H VAL 125 -14.646 -20.450 -14.507 999 HA VAL 125 HA VAL 125 -15.368 -23.123 -15.488 1000 HB VAL 125 HB VAL 125 -16.333 -22.082 -12.852 1001 HG11 VAL 125 1HG1 VAL 125 -16.803 -24.384 -14.335 1002 HG12 VAL 125 2HG1 VAL 125 -15.634 -24.911 -13.100 1003 HG13 VAL 125 3HG1 VAL 125 -17.165 -24.148 -12.609 1004 HG21 VAL 125 1HG2 VAL 125 -13.639 -23.384 -13.351 1005 HG22 VAL 125 2HG2 VAL 125 -13.961 -21.797 -12.613 1006 HG23 VAL 125 3HG2 VAL 125 -14.420 -23.287 -11.755 1007 H SER 126 H SER 126 -17.982 -22.524 -13.864 1008 HA SER 126 HA SER 126 -19.171 -20.282 -14.864 1009 HB2 SER 126 1HB SER 126 -20.641 -21.394 -16.674 1010 HB3 SER 126 2HB SER 126 -18.997 -20.983 -17.120 1011 HG SER 126 HG SER 126 -19.314 -23.561 -16.014 1012 H GLY 127 H GLY 127 -20.915 -20.047 -13.507 1013 HA2 GLY 127 1HA GLY 127 -22.712 -22.238 -13.001 1014 HA3 GLY 127 2HA GLY 127 -21.703 -21.841 -11.624 1015 HA PRO 128 HA PRO 128 -24.789 -18.342 -12.604 1016 HB2 PRO 128 1HB PRO 128 -27.260 -19.230 -13.364 1017 HB3 PRO 128 2HB PRO 128 -26.064 -18.636 -14.499 1018 HG2 PRO 128 1HG PRO 128 -26.891 -21.424 -13.969 1019 HG3 PRO 128 2HG PRO 128 -26.037 -20.777 -15.356 1020 HD2 PRO 128 1HD PRO 128 -24.903 -22.274 -13.188 1021 HD3 PRO 128 2HD PRO 128 -24.034 -21.528 -14.514 1022 H SER 129 H SER 129 -27.110 -17.756 -11.580 1023 HA SER 129 HA SER 129 -27.375 -19.472 -9.261 1024 HB2 SER 129 1HB SER 129 -26.395 -16.668 -9.278 1025 HB3 SER 129 2HB SER 129 -27.692 -16.960 -8.137 1026 HG SER 129 HG SER 129 -26.251 -18.987 -7.604 1027 H SER 130 H SER 130 -29.402 -18.550 -7.892 1028 HA SER 130 HA SER 130 -31.540 -18.193 -7.826 1029 HB2 SER 130 1HB SER 130 -30.573 -15.997 -9.158 1030 HB3 SER 130 2HB SER 130 -31.734 -16.583 -10.333 1031 HG SER 130 HG SER 130 -32.381 -16.177 -7.541 1032 H GLY 131 H GLY 131 -33.652 -18.824 -8.827 1033 HA2 GLY 131 1HA GLY 131 -33.611 -20.041 -11.444 1034 HA3 GLY 131 2HA GLY 131 -33.665 -21.195 -10.126 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.694 -2.423 18.073 2 HA2 GLY 1 1HA GLY 1 13.344 -3.360 17.303 3 HA3 GLY 1 2HA GLY 1 11.825 -3.640 16.475 4 H SER 2 H SER 2 14.457 -2.647 15.414 5 HA SER 2 HA SER 2 13.509 -0.056 14.465 6 HB2 SER 2 1HB SER 2 16.097 -0.911 15.518 7 HB3 SER 2 2HB SER 2 16.280 -0.283 13.893 8 HG SER 2 HG SER 2 16.098 1.674 14.719 9 H SER 3 H SER 3 15.688 -2.832 13.545 10 HA SER 3 HA SER 3 15.114 -2.311 10.786 11 HB2 SER 3 1HB SER 3 16.892 -4.310 12.234 12 HB3 SER 3 2HB SER 3 16.657 -4.376 10.498 13 HG SER 3 HG SER 3 17.877 -2.612 10.215 14 H GLY 4 H GLY 4 14.863 -5.157 13.051 15 HA2 GLY 4 1HA GLY 4 13.485 -6.899 11.455 16 HA3 GLY 4 2HA GLY 4 13.325 -6.794 13.196 17 H SER 5 H SER 5 11.075 -7.608 12.027 18 HA SER 5 HA SER 5 9.262 -5.609 12.681 19 HB2 SER 5 1HB SER 5 8.216 -5.204 10.473 20 HB3 SER 5 2HB SER 5 9.870 -4.627 10.508 21 HG SER 5 HG SER 5 10.016 -7.177 9.690 22 H SER 6 H SER 6 6.922 -6.397 12.184 23 HA SER 6 HA SER 6 6.943 -9.241 12.590 24 HB2 SER 6 1HB SER 6 5.191 -6.990 13.263 25 HB3 SER 6 2HB SER 6 4.271 -8.318 12.585 26 HG SER 6 HG SER 6 4.367 -9.014 14.631 27 H GLY 7 H GLY 7 5.323 -10.644 11.390 28 HA2 GLY 7 1HA GLY 7 4.720 -11.535 9.406 29 HA3 GLY 7 2HA GLY 7 3.878 -10.014 9.185 30 HA PRO 8 HA PRO 8 6.809 -10.079 5.802 31 HB2 PRO 8 1HB PRO 8 5.145 -9.001 3.921 32 HB3 PRO 8 2HB PRO 8 5.306 -10.726 4.183 33 HG2 PRO 8 1HG PRO 8 3.098 -8.928 4.978 34 HG3 PRO 8 2HG PRO 8 3.097 -10.675 4.844 35 HD2 PRO 8 1HD PRO 8 3.232 -9.140 7.263 36 HD3 PRO 8 2HD PRO 8 3.347 -10.883 7.120 37 H ASN 9 H ASN 9 6.842 -8.049 3.898 38 HA ASN 9 HA ASN 9 8.217 -6.150 5.310 39 HB2 ASN 9 1HB ASN 9 7.837 -6.707 2.653 40 HB3 ASN 9 2HB ASN 9 6.825 -5.282 2.787 41 HD21 ASN 9 1HD2 ASN 9 8.866 -5.052 1.166 42 HD22 ASN 9 2HD2 ASN 9 10.156 -4.095 1.814 43 H TYR 10 H TYR 10 4.791 -6.676 4.888 44 HA TYR 10 HA TYR 10 4.250 -4.090 6.161 45 HB2 TYR 10 1HB TYR 10 2.158 -4.109 4.639 46 HB3 TYR 10 2HB TYR 10 3.665 -3.876 3.775 47 HD1 TYR 10 1HD TYR 10 4.691 -5.808 2.522 48 HD2 TYR 10 2HD TYR 10 0.776 -6.018 4.233 49 HE1 TYR 10 1HE TYR 10 4.145 -7.803 1.044 50 HE2 TYR 10 2HE TYR 10 0.242 -8.012 2.749 51 HH TYR 10 HH TYR 10 2.704 -9.337 0.556 52 H ARG 11 H ARG 11 2.136 -4.053 7.319 53 HA ARG 11 HA ARG 11 1.669 -6.689 8.410 54 HB2 ARG 11 1HB ARG 11 0.602 -4.024 9.455 55 HB3 ARG 11 2HB ARG 11 0.695 -5.539 10.331 56 HG2 ARG 11 1HG ARG 11 3.206 -5.466 10.148 57 HG3 ARG 11 2HG ARG 11 3.085 -3.920 9.330 58 HD2 ARG 11 1HD ARG 11 1.525 -3.528 11.625 59 HD3 ARG 11 2HD ARG 11 2.827 -4.543 12.212 60 HE ARG 11 HE ARG 11 3.952 -2.482 10.570 61 HH11 ARG 11 2HH2 ARG 11 2.380 -2.895 13.692 62 HH12 ARG 11 1HH2 ARG 11 3.161 -1.526 14.410 63 HH21 ARG 11 2HH1 ARG 11 4.982 -0.675 11.517 64 HH22 ARG 11 1HH1 ARG 11 4.650 -0.254 13.164 65 H TRP 12 H TRP 12 -0.398 -7.686 8.363 66 HA TRP 12 HA TRP 12 -2.662 -6.179 7.405 67 HB2 TRP 12 1HB TRP 12 -3.098 -7.437 5.455 68 HB3 TRP 12 2HB TRP 12 -1.463 -6.821 5.327 69 HD1 TRP 12 HD TRP 12 0.540 -8.663 5.371 70 HE1 TRP 12 1HE TRP 12 0.671 -11.275 5.021 71 HE3 TRP 12 3HE TRP 12 -4.442 -9.516 5.929 72 HZ2 TRP 12 2HZ TRP 12 -1.280 -13.358 5.017 73 HZ3 TRP 12 3HZ TRP 12 -5.246 -11.867 5.738 74 HH2 TRP 12 HH TRP 12 -3.755 -13.753 5.298 75 H THR 13 H THR 13 -4.476 -6.974 8.431 76 HA THR 13 HA THR 13 -4.315 -9.712 9.489 77 HB THR 13 HB THR 13 -4.959 -8.958 11.659 78 HG1 THR 13 1HG THR 13 -5.613 -6.562 10.104 79 HG21 THR 13 1HG2 THR 13 -3.328 -6.605 10.571 80 HG22 THR 13 2HG2 THR 13 -3.473 -7.092 12.277 81 HG23 THR 13 3HG2 THR 13 -2.615 -8.140 11.122 82 H GLN 14 H GLN 14 -6.937 -9.319 10.830 83 HA GLN 14 HA GLN 14 -8.872 -8.425 9.164 84 HB2 GLN 14 1HB GLN 14 -9.666 -10.662 8.147 85 HB3 GLN 14 2HB GLN 14 -8.305 -9.873 7.376 86 HG2 GLN 14 1HG GLN 14 -6.871 -11.354 9.076 87 HG3 GLN 14 2HG GLN 14 -8.322 -12.336 9.130 88 HE21 GLN 14 1HE2 GLN 14 -6.069 -13.438 8.200 89 HE22 GLN 14 2HE2 GLN 14 -6.125 -13.697 6.489 90 H THR 15 H THR 15 -11.006 -10.117 9.492 91 HA THR 15 HA THR 15 -10.922 -11.368 12.081 92 HB THR 15 HB THR 15 -11.144 -9.070 12.844 93 HG1 THR 15 1HG THR 15 -13.821 -10.196 12.444 94 HG21 THR 15 1HG2 THR 15 -12.643 -7.470 11.932 95 HG22 THR 15 2HG2 THR 15 -12.027 -8.278 10.471 96 HG23 THR 15 3HG2 THR 15 -13.624 -8.716 11.123 97 H LEU 16 H LEU 16 -11.294 -12.705 9.818 98 HA LEU 16 HA LEU 16 -12.727 -13.834 8.539 99 HB2 LEU 16 1HB LEU 16 -14.080 -13.951 11.233 100 HB3 LEU 16 2HB LEU 16 -14.560 -14.936 9.866 101 HG LEU 16 HG LEU 16 -12.777 -15.679 11.787 102 HD11 LEU 16 1HD1 LEU 16 -13.999 -17.010 9.978 103 HD12 LEU 16 2HD1 LEU 16 -12.562 -16.728 8.966 104 HD13 LEU 16 3HD1 LEU 16 -12.408 -17.609 10.506 105 HD21 LEU 16 1HD2 LEU 16 -10.538 -15.755 10.719 106 HD22 LEU 16 2HD2 LEU 16 -11.140 -14.663 9.449 107 HD23 LEU 16 3HD2 LEU 16 -11.069 -14.108 11.139 108 H ALA 17 H ALA 17 -13.086 -10.860 8.619 109 HA ALA 17 HA ALA 17 -15.681 -10.860 7.346 110 HB1 ALA 17 1HB ALA 17 -15.590 -8.545 9.057 111 HB2 ALA 17 2HB ALA 17 -16.805 -9.845 9.003 112 HB3 ALA 17 3HB ALA 17 -15.375 -10.005 10.052 113 H GLU 18 H GLU 18 -13.586 -8.241 8.713 114 HA GLU 18 HA GLU 18 -13.242 -7.338 5.973 115 HB2 GLU 18 1HB GLU 18 -12.813 -5.133 6.896 116 HB3 GLU 18 2HB GLU 18 -14.271 -5.763 7.638 117 HG2 GLU 18 1HG GLU 18 -13.334 -5.455 9.677 118 HG3 GLU 18 2HG GLU 18 -12.134 -6.671 9.286 119 H LEU 19 H LEU 19 -11.071 -6.426 5.359 120 HA LEU 19 HA LEU 19 -8.952 -7.896 6.766 121 HB2 LEU 19 1HB LEU 19 -9.680 -7.661 3.946 122 HB3 LEU 19 2HB LEU 19 -7.994 -7.289 4.248 123 HG LEU 19 HG LEU 19 -9.056 -9.762 5.520 124 HD11 LEU 19 1HD1 LEU 19 -8.830 -11.079 3.473 125 HD12 LEU 19 2HD1 LEU 19 -10.118 -9.860 3.319 126 HD13 LEU 19 3HD1 LEU 19 -8.541 -9.592 2.538 127 HD21 LEU 19 1HD2 LEU 19 -6.675 -10.283 4.176 128 HD22 LEU 19 2HD2 LEU 19 -6.500 -8.609 4.754 129 HD23 LEU 19 3HD2 LEU 19 -6.871 -9.915 5.906 130 H ASP 20 H ASP 20 -7.196 -6.769 7.526 131 HA ASP 20 HA ASP 20 -7.321 -3.901 7.033 132 HB2 ASP 20 1HB ASP 20 -7.162 -5.411 9.436 133 HB3 ASP 20 2HB ASP 20 -5.562 -4.728 9.226 134 H LEU 21 H LEU 21 -5.312 -2.813 6.472 135 HA LEU 21 HA LEU 21 -2.898 -4.386 6.331 136 HB2 LEU 21 1HB LEU 21 -3.671 -5.103 4.276 137 HB3 LEU 21 2HB LEU 21 -4.468 -3.585 3.915 138 HG LEU 21 HG LEU 21 -2.325 -2.504 3.492 139 HD11 LEU 21 1HD1 LEU 21 -0.452 -4.561 3.330 140 HD12 LEU 21 2HD1 LEU 21 -0.514 -3.257 4.539 141 HD13 LEU 21 3HD1 LEU 21 -1.276 -4.828 4.884 142 HD21 LEU 21 1HD2 LEU 21 -3.563 -3.862 1.724 143 HD22 LEU 21 2HD2 LEU 21 -1.851 -3.488 1.409 144 HD23 LEU 21 3HD2 LEU 21 -2.319 -5.111 1.970 145 H ALA 22 H ALA 22 -1.046 -3.094 6.418 146 HA ALA 22 HA ALA 22 -1.424 -0.222 6.129 147 HB1 ALA 22 1HB ALA 22 -0.529 0.261 8.322 148 HB2 ALA 22 2HB ALA 22 -1.903 -0.852 8.527 149 HB3 ALA 22 3HB ALA 22 -0.236 -1.466 8.639 150 H VAL 23 H VAL 23 0.133 0.389 4.721 151 HA VAL 23 HA VAL 23 2.681 -1.070 4.862 152 HB VAL 23 HB VAL 23 1.313 0.271 2.521 153 HG11 VAL 23 1HG1 VAL 23 3.794 -1.424 2.311 154 HG12 VAL 23 2HG1 VAL 23 3.151 -0.210 1.179 155 HG13 VAL 23 3HG1 VAL 23 3.918 0.309 2.699 156 HG21 VAL 23 1HG2 VAL 23 1.837 -2.438 1.967 157 HG22 VAL 23 2HG2 VAL 23 1.164 -2.407 3.615 158 HG23 VAL 23 3HG2 VAL 23 0.255 -1.678 2.269 159 HA PRO 24 HA PRO 24 3.931 2.949 6.172 160 HB2 PRO 24 1HB PRO 24 6.262 2.172 7.368 161 HB3 PRO 24 2HB PRO 24 4.721 2.207 8.203 162 HG2 PRO 24 1HG PRO 24 6.228 -0.126 7.191 163 HG3 PRO 24 2HG PRO 24 4.936 -0.083 8.374 164 HD2 PRO 24 1HD PRO 24 4.728 -0.909 5.635 165 HD3 PRO 24 2HD PRO 24 3.415 -0.755 6.786 166 H PHE 25 H PHE 25 5.471 4.549 5.577 167 HA PHE 25 HA PHE 25 7.319 3.578 3.535 168 HB2 PHE 25 1HB PHE 25 5.215 5.812 3.391 169 HB3 PHE 25 2HB PHE 25 6.556 5.747 2.266 170 HD1 PHE 25 2HD PHE 25 6.670 2.761 1.859 171 HD2 PHE 25 1HD PHE 25 3.394 5.457 1.954 172 HE1 PHE 25 2HE PHE 25 5.356 1.216 0.381 173 HE2 PHE 25 1HE PHE 25 2.080 3.912 0.475 174 HZ PHE 25 HZ PHE 25 3.077 1.810 -0.294 175 H ARG 26 H ARG 26 9.213 4.877 3.271 176 HA ARG 26 HA ARG 26 9.662 6.551 5.572 177 HB2 ARG 26 1HB ARG 26 11.328 4.911 3.743 178 HB3 ARG 26 2HB ARG 26 12.058 6.457 4.124 179 HG2 ARG 26 1HG ARG 26 10.892 4.747 6.343 180 HG3 ARG 26 2HG ARG 26 12.487 4.391 5.713 181 HD2 ARG 26 1HD ARG 26 12.737 7.096 6.073 182 HD3 ARG 26 2HD ARG 26 11.565 6.742 7.327 183 HE ARG 26 HE ARG 26 14.369 5.886 7.261 184 HH11 ARG 26 2HH2 ARG 26 11.187 5.250 8.624 185 HH12 ARG 26 1HH2 ARG 26 11.807 4.421 10.012 186 HH21 ARG 26 2HH1 ARG 26 15.187 4.792 9.093 187 HH22 ARG 26 1HH1 ARG 26 14.097 4.159 10.281 188 H VAL 27 H VAL 27 8.265 8.330 4.699 189 HA VAL 27 HA VAL 27 9.578 9.776 2.505 190 HB VAL 27 HB VAL 27 7.285 10.950 2.460 191 HG11 VAL 27 1HG1 VAL 27 6.319 9.018 1.085 192 HG12 VAL 27 2HG1 VAL 27 7.919 9.631 0.604 193 HG13 VAL 27 3HG1 VAL 27 7.788 8.116 1.529 194 HG21 VAL 27 1HG2 VAL 27 5.492 10.087 3.559 195 HG22 VAL 27 2HG2 VAL 27 6.102 8.417 3.476 196 HG23 VAL 27 3HG2 VAL 27 6.749 9.540 4.695 197 H SER 28 H SER 28 9.428 12.226 2.716 198 HA SER 28 HA SER 28 9.823 12.889 5.529 199 HB2 SER 28 1HB SER 28 11.454 13.354 3.168 200 HB3 SER 28 2HB SER 28 11.003 14.893 3.874 201 HG SER 28 HG SER 28 12.585 12.789 4.964 202 H PHE 29 H PHE 29 7.400 12.929 3.490 203 HA PHE 29 HA PHE 29 6.555 15.613 4.270 204 HB2 PHE 29 1HB PHE 29 5.457 15.636 1.894 205 HB3 PHE 29 2HB PHE 29 7.191 15.879 1.945 206 HD1 PHE 29 2HD PHE 29 4.615 13.246 1.445 207 HD2 PHE 29 1HD PHE 29 8.612 14.478 0.730 208 HE1 PHE 29 2HE PHE 29 4.932 11.309 -0.119 209 HE2 PHE 29 1HE PHE 29 8.930 12.541 -0.834 210 HZ PHE 29 HZ PHE 29 7.086 10.979 -1.240 211 H ARG 30 H ARG 30 4.026 15.760 3.494 212 HA ARG 30 HA ARG 30 2.872 13.433 4.758 213 HB2 ARG 30 1HB ARG 30 2.200 16.320 4.572 214 HB3 ARG 30 2HB ARG 30 0.804 15.279 4.374 215 HG2 ARG 30 1HG ARG 30 0.857 14.563 6.558 216 HG3 ARG 30 2HG ARG 30 2.606 14.455 6.590 217 HD2 ARG 30 1HD ARG 30 2.594 17.065 6.604 218 HD3 ARG 30 2HD ARG 30 0.886 16.940 6.974 219 HE ARG 30 HE ARG 30 2.220 15.223 8.785 220 HH11 ARG 30 2HH2 ARG 30 2.116 18.663 8.053 221 HH12 ARG 30 1HH2 ARG 30 2.501 19.149 9.670 222 HH21 ARG 30 2HH1 ARG 30 2.728 15.863 10.919 223 HH22 ARG 30 1HH1 ARG 30 2.852 17.546 11.311 224 H LEU 31 H LEU 31 2.336 11.843 3.272 225 HA LEU 31 HA LEU 31 1.906 12.280 0.577 226 HB2 LEU 31 1HB LEU 31 1.113 10.053 2.443 227 HB3 LEU 31 2HB LEU 31 0.771 9.998 0.725 228 HG LEU 31 HG LEU 31 3.587 10.545 1.574 229 HD11 LEU 31 1HD1 LEU 31 4.068 8.512 2.401 230 HD12 LEU 31 2HD1 LEU 31 2.334 8.471 2.801 231 HD13 LEU 31 3HD1 LEU 31 2.925 7.680 1.320 232 HD21 LEU 31 1HD2 LEU 31 2.549 8.774 -0.643 233 HD22 LEU 31 2HD2 LEU 31 2.755 10.533 -0.824 234 HD23 LEU 31 3HD2 LEU 31 4.163 9.504 -0.465 235 H LYS 32 H LYS 32 0.247 13.096 -0.595 236 HA LYS 32 HA LYS 32 -2.129 13.870 0.865 237 HB2 LYS 32 1HB LYS 32 -0.975 14.543 -1.838 238 HB3 LYS 32 2HB LYS 32 -2.634 14.943 -1.442 239 HG2 LYS 32 1HG LYS 32 -1.128 15.763 0.821 240 HG3 LYS 32 2HG LYS 32 -0.160 16.240 -0.560 241 HD2 LYS 32 1HD LYS 32 -1.513 18.067 -0.692 242 HD3 LYS 32 2HD LYS 32 -2.717 16.988 -1.368 243 HE2 LYS 32 1HE LYS 32 -3.595 16.529 0.934 244 HE3 LYS 32 2HE LYS 32 -2.392 17.609 1.608 245 HZ1 LYS 32 1HZ LYS 32 -4.725 18.258 0.010 246 HZ2 LYS 32 2HZ LYS 32 -4.153 18.989 1.354 247 HZ3 LYS 32 3HZ LYS 32 -3.428 19.247 -0.087 248 H GLY 33 H GLY 33 -1.179 11.835 -1.972 249 HA2 GLY 33 1HA GLY 33 -2.458 9.638 -1.812 250 HA3 GLY 33 2HA GLY 33 -3.882 10.653 -1.915 251 H LYS 34 H LYS 34 -1.930 12.518 -3.672 252 HA LYS 34 HA LYS 34 -2.802 11.305 -6.151 253 HB2 LYS 34 1HB LYS 34 -2.367 13.424 -7.142 254 HB3 LYS 34 2HB LYS 34 -3.173 13.725 -5.616 255 HG2 LYS 34 1HG LYS 34 -0.576 13.766 -4.763 256 HG3 LYS 34 2HG LYS 34 -0.342 14.297 -6.417 257 HD2 LYS 34 1HD LYS 34 -2.488 15.855 -5.742 258 HD3 LYS 34 2HD LYS 34 -1.756 15.671 -4.161 259 HE2 LYS 34 1HE LYS 34 0.417 16.496 -5.042 260 HE3 LYS 34 2HE LYS 34 -0.259 16.614 -6.654 261 HZ1 LYS 34 1HZ LYS 34 -0.937 18.207 -4.301 262 HZ2 LYS 34 2HZ LYS 34 -0.454 18.721 -5.774 263 HZ3 LYS 34 3HZ LYS 34 -1.959 18.120 -5.572 264 H ASP 35 H ASP 35 -0.102 11.155 -4.092 265 HA ASP 35 HA ASP 35 1.642 10.629 -6.362 266 HB2 ASP 35 1HB ASP 35 2.064 11.628 -3.564 267 HB3 ASP 35 2HB ASP 35 3.313 10.575 -4.198 268 H VAL 36 H VAL 36 -0.495 9.071 -4.405 269 HA VAL 36 HA VAL 36 1.250 6.741 -3.998 270 HB VAL 36 HB VAL 36 -1.321 7.467 -2.580 271 HG11 VAL 36 1HG1 VAL 36 -0.221 5.712 -0.935 272 HG12 VAL 36 2HG1 VAL 36 -1.195 5.181 -2.327 273 HG13 VAL 36 3HG1 VAL 36 0.582 5.154 -2.423 274 HG21 VAL 36 1HG2 VAL 36 -0.142 8.853 -1.293 275 HG22 VAL 36 2HG2 VAL 36 0.895 7.492 -0.802 276 HG23 VAL 36 3HG2 VAL 36 1.339 8.487 -2.209 277 H VAL 37 H VAL 37 0.018 4.594 -4.199 278 HA VAL 37 HA VAL 37 -2.171 4.774 -6.114 279 HB VAL 37 HB VAL 37 -0.574 4.547 -7.711 280 HG11 VAL 37 1HG1 VAL 37 1.439 2.791 -7.020 281 HG12 VAL 37 2HG1 VAL 37 1.531 4.566 -6.924 282 HG13 VAL 37 3HG1 VAL 37 1.098 3.618 -5.481 283 HG21 VAL 37 1HG2 VAL 37 -0.999 1.697 -6.755 284 HG22 VAL 37 2HG2 VAL 37 -1.980 2.599 -7.937 285 HG23 VAL 37 3HG2 VAL 37 -0.306 2.140 -8.334 286 H VAL 38 H VAL 38 -3.771 3.366 -5.578 287 HA VAL 38 HA VAL 38 -3.050 0.917 -4.201 288 HB VAL 38 HB VAL 38 -4.831 3.060 -3.035 289 HG11 VAL 38 1HG1 VAL 38 -4.919 1.177 -1.143 290 HG12 VAL 38 2HG1 VAL 38 -6.108 1.249 -2.466 291 HG13 VAL 38 3HG1 VAL 38 -4.741 0.112 -2.558 292 HG21 VAL 38 1HG2 VAL 38 -3.184 2.292 -1.032 293 HG22 VAL 38 2HG2 VAL 38 -2.123 2.000 -2.431 294 HG23 VAL 38 3HG2 VAL 38 -2.812 3.618 -2.160 295 H ASP 39 H ASP 39 -3.741 -0.230 -6.035 296 HA ASP 39 HA ASP 39 -6.344 0.373 -7.069 297 HB2 ASP 39 1HB ASP 39 -3.976 -0.792 -8.079 298 HB3 ASP 39 2HB ASP 39 -5.102 -2.132 -7.995 299 H ILE 40 H ILE 40 -7.956 -0.332 -5.599 300 HA ILE 40 HA ILE 40 -7.620 -2.953 -4.377 301 HB ILE 40 HB ILE 40 -9.508 -0.655 -3.892 302 HG12 ILE 40 1HG1 ILE 40 -7.461 -1.913 -2.049 303 HG13 ILE 40 2HG1 ILE 40 -7.111 -0.540 -3.080 304 HG21 ILE 40 1HG2 ILE 40 -9.902 -3.464 -3.324 305 HG22 ILE 40 2HG2 ILE 40 -9.804 -2.517 -1.820 306 HG23 ILE 40 3HG2 ILE 40 -10.995 -2.083 -3.069 307 HD11 ILE 40 1HD1 ILE 40 -8.976 0.739 -2.011 308 HD12 ILE 40 2HD1 ILE 40 -9.291 -0.651 -0.945 309 HD13 ILE 40 3HD1 ILE 40 -7.749 0.230 -0.827 310 H GLN 41 H GLN 41 -7.940 -4.364 -6.138 311 HA GLN 41 HA GLN 41 -10.435 -4.043 -7.563 312 HB2 GLN 41 1HB GLN 41 -7.888 -5.584 -8.022 313 HB3 GLN 41 2HB GLN 41 -9.356 -6.181 -8.770 314 HG2 GLN 41 1HG GLN 41 -8.308 -4.686 -10.359 315 HG3 GLN 41 2HG GLN 41 -9.734 -3.870 -9.749 316 HE21 GLN 41 1HE2 GLN 41 -9.525 -2.233 -8.170 317 HE22 GLN 41 2HE2 GLN 41 -8.063 -1.323 -7.986 318 H ARG 42 H ARG 42 -11.647 -6.227 -8.046 319 HA ARG 42 HA ARG 42 -12.653 -7.138 -5.692 320 HB2 ARG 42 1HB ARG 42 -13.750 -7.365 -7.936 321 HB3 ARG 42 2HB ARG 42 -12.580 -8.589 -8.387 322 HG2 ARG 42 1HG ARG 42 -14.533 -9.787 -7.660 323 HG3 ARG 42 2HG ARG 42 -13.361 -9.956 -6.368 324 HD2 ARG 42 1HD ARG 42 -14.710 -8.873 -4.885 325 HD3 ARG 42 2HD ARG 42 -14.951 -7.527 -5.981 326 HE ARG 42 HE ARG 42 -16.697 -9.879 -5.678 327 HH11 ARG 42 2HH2 ARG 42 -15.834 -7.122 -7.688 328 HH12 ARG 42 1HH2 ARG 42 -17.354 -7.089 -8.518 329 HH21 ARG 42 2HH1 ARG 42 -18.702 -9.836 -6.773 330 HH22 ARG 42 1HH1 ARG 42 -18.996 -8.643 -7.994 331 H ARG 43 H ARG 43 -10.135 -8.604 -7.846 332 HA ARG 43 HA ARG 43 -9.332 -10.194 -5.558 333 HB2 ARG 43 1HB ARG 43 -10.639 -11.331 -7.712 334 HB3 ARG 43 2HB ARG 43 -8.973 -11.486 -8.231 335 HG2 ARG 43 1HG ARG 43 -8.370 -12.741 -6.245 336 HG3 ARG 43 2HG ARG 43 -9.886 -12.353 -5.455 337 HD2 ARG 43 1HD ARG 43 -10.986 -14.068 -6.488 338 HD3 ARG 43 2HD ARG 43 -10.338 -13.647 -8.060 339 HE ARG 43 HE ARG 43 -8.337 -14.872 -6.317 340 HH11 ARG 43 2HH2 ARG 43 -10.954 -15.532 -8.575 341 HH12 ARG 43 1HH2 ARG 43 -10.370 -17.109 -8.989 342 HH21 ARG 43 2HH1 ARG 43 -7.566 -16.953 -6.863 343 HH22 ARG 43 1HH1 ARG 43 -8.430 -17.923 -8.009 344 H HIS 44 H HIS 44 -8.082 -7.835 -6.042 345 HA HIS 44 HA HIS 44 -5.458 -8.603 -6.604 346 HB2 HIS 44 1HB HIS 44 -6.698 -8.373 -8.949 347 HB3 HIS 44 2HB HIS 44 -6.366 -6.671 -8.699 348 HD1 HIS 44 1HD HIS 44 -3.553 -6.656 -7.561 349 HD2 HIS 44 2HD HIS 44 -4.746 -9.235 -10.646 350 HE1 HIS 44 1HE HIS 44 -1.423 -7.332 -8.792 351 H LEU 45 H LEU 45 -4.092 -7.172 -5.579 352 HA LEU 45 HA LEU 45 -5.154 -4.502 -5.038 353 HB2 LEU 45 1HB LEU 45 -5.712 -5.854 -3.109 354 HB3 LEU 45 2HB LEU 45 -4.059 -6.420 -2.980 355 HG LEU 45 HG LEU 45 -3.285 -4.183 -2.403 356 HD11 LEU 45 1HD1 LEU 45 -5.829 -3.384 -3.505 357 HD12 LEU 45 2HD1 LEU 45 -5.632 -2.738 -1.858 358 HD13 LEU 45 3HD1 LEU 45 -4.403 -2.398 -3.100 359 HD21 LEU 45 1HD2 LEU 45 -5.613 -4.460 -0.576 360 HD22 LEU 45 2HD2 LEU 45 -4.549 -5.875 -0.757 361 HD23 LEU 45 3HD2 LEU 45 -3.875 -4.317 -0.220 362 H ARG 46 H ARG 46 -3.752 -3.128 -5.985 363 HA ARG 46 HA ARG 46 -0.943 -3.879 -5.804 364 HB2 ARG 46 1HB ARG 46 -2.249 -3.683 -8.143 365 HB3 ARG 46 2HB ARG 46 -1.955 -1.969 -7.925 366 HG2 ARG 46 1HG ARG 46 0.527 -2.603 -7.503 367 HG3 ARG 46 2HG ARG 46 0.115 -4.198 -8.101 368 HD2 ARG 46 1HD ARG 46 -0.291 -1.591 -9.649 369 HD3 ARG 46 2HD ARG 46 1.028 -2.716 -9.906 370 HE ARG 46 HE ARG 46 -1.336 -4.242 -10.116 371 HH11 ARG 46 2HH2 ARG 46 0.137 -1.518 -11.788 372 HH12 ARG 46 1HH2 ARG 46 -0.599 -1.891 -13.311 373 HH21 ARG 46 2HH1 ARG 46 -2.307 -4.734 -12.125 374 HH22 ARG 46 1HH1 ARG 46 -1.998 -3.733 -13.504 375 H VAL 47 H VAL 47 0.169 -2.542 -4.416 376 HA VAL 47 HA VAL 47 -0.582 0.287 -4.397 377 HB VAL 47 HB VAL 47 -0.135 -1.466 -1.973 378 HG11 VAL 47 1HG1 VAL 47 -0.032 1.459 -2.369 379 HG12 VAL 47 2HG1 VAL 47 -1.065 0.923 -1.022 380 HG13 VAL 47 3HG1 VAL 47 0.650 0.448 -1.072 381 HG21 VAL 47 1HG2 VAL 47 -2.391 -1.420 -1.558 382 HG22 VAL 47 2HG2 VAL 47 -2.635 0.117 -2.424 383 HG23 VAL 47 3HG2 VAL 47 -2.415 -1.395 -3.338 384 H GLY 48 H GLY 48 1.165 1.492 -4.911 385 HA2 GLY 48 1HA GLY 48 3.734 0.930 -3.751 386 HA3 GLY 48 2HA GLY 48 3.661 0.554 -5.461 387 H LEU 49 H LEU 49 3.567 3.118 -3.016 388 HA LEU 49 HA LEU 49 2.752 5.339 -3.974 389 HB2 LEU 49 1HB LEU 49 5.615 4.884 -3.129 390 HB3 LEU 49 2HB LEU 49 4.880 6.467 -3.297 391 HG LEU 49 HG LEU 49 3.792 4.337 -1.442 392 HD11 LEU 49 1HD1 LEU 49 4.944 6.141 0.227 393 HD12 LEU 49 2HD1 LEU 49 5.703 4.616 -0.292 394 HD13 LEU 49 3HD1 LEU 49 6.109 6.139 -1.119 395 HD21 LEU 49 1HD2 LEU 49 2.910 6.975 -2.246 396 HD22 LEU 49 2HD2 LEU 49 2.084 5.745 -1.261 397 HD23 LEU 49 3HD2 LEU 49 3.197 6.901 -0.491 398 H LYS 50 H LYS 50 2.427 6.171 -5.960 399 HA LYS 50 HA LYS 50 3.398 5.323 -8.285 400 HB2 LYS 50 1HB LYS 50 2.339 7.901 -7.299 401 HB3 LYS 50 2HB LYS 50 3.245 8.005 -8.795 402 HG2 LYS 50 1HG LYS 50 1.672 6.831 -9.991 403 HG3 LYS 50 2HG LYS 50 1.373 5.699 -8.687 404 HD2 LYS 50 1HD LYS 50 -0.073 7.286 -7.530 405 HD3 LYS 50 2HD LYS 50 0.383 8.583 -8.617 406 HE2 LYS 50 1HE LYS 50 -0.585 6.388 -10.226 407 HE3 LYS 50 2HE LYS 50 -1.738 6.651 -8.933 408 HZ1 LYS 50 1HZ LYS 50 -0.759 9.036 -10.196 409 HZ2 LYS 50 2HZ LYS 50 -1.672 8.077 -11.151 410 HZ3 LYS 50 3HZ LYS 50 -2.279 8.644 -9.745 411 H GLY 51 H GLY 51 5.379 4.967 -9.112 412 HA2 GLY 51 1HA GLY 51 7.433 5.822 -9.889 413 HA3 GLY 51 2HA GLY 51 7.484 6.943 -8.543 414 H GLN 52 H GLN 52 6.534 4.764 -6.613 415 HA GLN 52 HA GLN 52 9.162 3.571 -6.318 416 HB2 GLN 52 1HB GLN 52 7.053 4.521 -4.460 417 HB3 GLN 52 2HB GLN 52 7.781 3.000 -3.984 418 HG2 GLN 52 1HG GLN 52 9.918 4.713 -4.855 419 HG3 GLN 52 2HG GLN 52 8.894 5.671 -3.804 420 HE21 GLN 52 1HE2 GLN 52 8.257 4.707 -1.728 421 HE22 GLN 52 2HE2 GLN 52 9.395 3.726 -0.866 422 HA PRO 53 HA PRO 53 7.627 -0.461 -6.830 423 HB2 PRO 53 1HB PRO 53 8.805 -1.958 -4.871 424 HB3 PRO 53 2HB PRO 53 9.642 -1.455 -6.326 425 HG2 PRO 53 1HG PRO 53 9.907 -0.398 -3.578 426 HG3 PRO 53 2HG PRO 53 11.003 -0.220 -4.933 427 HD2 PRO 53 1HD PRO 53 9.188 1.758 -3.923 428 HD3 PRO 53 2HD PRO 53 10.200 1.894 -5.347 429 HA PRO 54 HA PRO 54 4.099 -0.976 -4.502 430 HB2 PRO 54 1HB PRO 54 2.976 -3.080 -5.838 431 HB3 PRO 54 2HB PRO 54 2.814 -1.415 -6.362 432 HG2 PRO 54 1HG PRO 54 4.508 -3.559 -7.492 433 HG3 PRO 54 2HG PRO 54 4.010 -2.049 -8.230 434 HD2 PRO 54 1HD PRO 54 6.585 -2.648 -7.117 435 HD3 PRO 54 2HD PRO 54 6.049 -1.104 -7.750 436 H VAL 55 H VAL 55 4.249 -1.568 -2.436 437 HA VAL 55 HA VAL 55 5.722 -3.880 -1.766 438 HB VAL 55 HB VAL 55 3.748 -2.292 -0.115 439 HG11 VAL 55 1HG1 VAL 55 5.726 -3.105 1.584 440 HG12 VAL 55 2HG1 VAL 55 4.179 -3.955 1.350 441 HG13 VAL 55 3HG1 VAL 55 5.631 -4.492 0.472 442 HG21 VAL 55 1HG2 VAL 55 5.853 -1.102 0.679 443 HG22 VAL 55 2HG2 VAL 55 6.674 -1.815 -0.730 444 HG23 VAL 55 3HG2 VAL 55 5.300 -0.710 -0.967 445 H VAL 56 H VAL 56 2.290 -3.184 -2.430 446 HA VAL 56 HA VAL 56 1.708 -6.003 -1.837 447 HB VAL 56 HB VAL 56 -0.264 -3.725 -2.006 448 HG11 VAL 56 1HG1 VAL 56 -1.206 -5.675 -0.262 449 HG12 VAL 56 2HG1 VAL 56 -1.711 -5.434 -1.952 450 HG13 VAL 56 3HG1 VAL 56 -0.432 -6.610 -1.564 451 HG21 VAL 56 1HG2 VAL 56 0.219 -4.642 0.696 452 HG22 VAL 56 2HG2 VAL 56 1.724 -4.034 -0.034 453 HG23 VAL 56 3HG2 VAL 56 0.281 -2.993 0.030 454 H ASP 57 H ASP 57 1.826 -7.176 -3.686 455 HA ASP 57 HA ASP 57 0.241 -6.245 -5.889 456 HB2 ASP 57 1HB ASP 57 2.455 -7.144 -7.275 457 HB3 ASP 57 2HB ASP 57 2.059 -5.456 -7.017 458 H GLY 58 H GLY 58 -1.037 -8.083 -6.173 459 HA2 GLY 58 1HA GLY 58 -0.129 -10.500 -7.100 460 HA3 GLY 58 2HA GLY 58 -0.154 -10.678 -5.357 461 H GLU 59 H GLU 59 -1.838 -12.340 -6.627 462 HA GLU 59 HA GLU 59 -4.385 -11.049 -6.926 463 HB2 GLU 59 1HB GLU 59 -3.809 -12.790 -8.529 464 HB3 GLU 59 2HB GLU 59 -3.471 -13.938 -7.249 465 HG2 GLU 59 1HG GLU 59 -5.775 -14.142 -6.650 466 HG3 GLU 59 2HG GLU 59 -6.216 -12.655 -7.467 467 H LEU 60 H LEU 60 -5.754 -10.727 -5.230 468 HA LEU 60 HA LEU 60 -5.213 -11.506 -2.660 469 HB2 LEU 60 1HB LEU 60 -7.804 -10.772 -4.016 470 HB3 LEU 60 2HB LEU 60 -7.672 -11.029 -2.288 471 HG LEU 60 HG LEU 60 -5.963 -9.008 -3.748 472 HD11 LEU 60 1HD1 LEU 60 -8.294 -8.453 -4.197 473 HD12 LEU 60 2HD1 LEU 60 -8.666 -8.541 -2.459 474 HD13 LEU 60 3HD1 LEU 60 -7.567 -7.282 -3.072 475 HD21 LEU 60 1HD2 LEU 60 -5.899 -10.005 -1.134 476 HD22 LEU 60 2HD2 LEU 60 -5.066 -8.564 -1.766 477 HD23 LEU 60 3HD2 LEU 60 -6.668 -8.404 -1.006 478 H TYR 61 H TYR 61 -6.713 -12.952 -1.255 479 HA TYR 61 HA TYR 61 -6.389 -15.591 -2.160 480 HB2 TYR 61 1HB TYR 61 -6.467 -14.635 0.231 481 HB3 TYR 61 2HB TYR 61 -8.181 -14.339 0.015 482 HD1 TYR 61 2HD TYR 61 -9.575 -16.509 -0.743 483 HD2 TYR 61 1HD TYR 61 -5.827 -16.583 1.319 484 HE1 TYR 61 2HE TYR 61 -10.080 -18.851 0.105 485 HE2 TYR 61 1HE TYR 61 -6.345 -18.926 2.160 486 HH TYR 61 HH TYR 61 -7.775 -20.854 1.345 487 H ASN 62 H ASN 62 -9.105 -13.278 -2.272 488 HA ASN 62 HA ASN 62 -10.403 -14.909 -4.162 489 HB2 ASN 62 1HB ASN 62 -11.085 -15.385 -1.420 490 HB3 ASN 62 2HB ASN 62 -12.414 -14.455 -2.084 491 HD21 ASN 62 1HD2 ASN 62 -12.706 -17.057 -1.244 492 HD22 ASN 62 2HD2 ASN 62 -13.038 -18.099 -2.588 493 H GLU 63 H GLU 63 -12.957 -13.797 -4.177 494 HA GLU 63 HA GLU 63 -12.420 -11.161 -4.943 495 HB2 GLU 63 1HB GLU 63 -15.020 -12.700 -4.556 496 HB3 GLU 63 2HB GLU 63 -14.971 -11.066 -5.187 497 HG2 GLU 63 1HG GLU 63 -13.420 -11.851 -7.018 498 HG3 GLU 63 2HG GLU 63 -13.562 -13.487 -6.407 499 H VAL 64 H VAL 64 -13.006 -9.157 -3.977 500 HA VAL 64 HA VAL 64 -14.124 -9.317 -1.283 501 HB VAL 64 HB VAL 64 -12.384 -7.589 -0.618 502 HG11 VAL 64 1HG1 VAL 64 -10.984 -10.179 -1.147 503 HG12 VAL 64 2HG1 VAL 64 -11.103 -9.225 0.351 504 HG13 VAL 64 3HG1 VAL 64 -12.481 -10.215 -0.186 505 HG21 VAL 64 1HG2 VAL 64 -10.698 -8.774 -2.822 506 HG22 VAL 64 2HG2 VAL 64 -11.662 -7.302 -3.089 507 HG23 VAL 64 3HG2 VAL 64 -10.402 -7.325 -1.832 508 H LYS 65 H LYS 65 -15.605 -7.713 -0.875 509 HA LYS 65 HA LYS 65 -16.607 -6.238 -2.996 510 HB2 LYS 65 1HB LYS 65 -17.593 -6.944 -0.649 511 HB3 LYS 65 2HB LYS 65 -17.019 -5.364 -0.155 512 HG2 LYS 65 1HG LYS 65 -18.604 -4.253 -1.389 513 HG3 LYS 65 2HG LYS 65 -18.452 -5.340 -2.755 514 HD2 LYS 65 1HD LYS 65 -19.906 -6.983 -1.746 515 HD3 LYS 65 2HD LYS 65 -19.819 -6.208 -0.176 516 HE2 LYS 65 1HE LYS 65 -20.957 -4.168 -1.188 517 HE3 LYS 65 2HE LYS 65 -21.154 -5.071 -2.678 518 HZ1 LYS 65 1HZ LYS 65 -23.011 -5.106 -0.958 519 HZ2 LYS 65 2HZ LYS 65 -22.609 -6.515 -1.678 520 HZ3 LYS 65 3HZ LYS 65 -22.099 -6.200 -0.159 521 H VAL 66 H VAL 66 -15.258 -4.899 -4.139 522 HA VAL 66 HA VAL 66 -13.348 -3.262 -2.789 523 HB VAL 66 HB VAL 66 -12.640 -2.652 -4.914 524 HG11 VAL 66 1HG1 VAL 66 -13.910 -5.358 -5.426 525 HG12 VAL 66 2HG1 VAL 66 -12.419 -4.698 -6.141 526 HG13 VAL 66 3HG1 VAL 66 -12.467 -5.115 -4.411 527 HG21 VAL 66 1HG2 VAL 66 -14.045 -2.931 -6.973 528 HG22 VAL 66 2HG2 VAL 66 -15.423 -3.329 -5.918 529 HG23 VAL 66 3HG2 VAL 66 -14.665 -1.721 -5.823 530 H GLU 67 H GLU 67 -16.692 -2.964 -3.945 531 HA GLU 67 HA GLU 67 -16.795 -0.204 -4.056 532 HB2 GLU 67 1HB GLU 67 -18.791 -2.430 -3.770 533 HB3 GLU 67 2HB GLU 67 -19.349 -0.809 -3.408 534 HG2 GLU 67 1HG GLU 67 -17.736 -0.892 -5.875 535 HG3 GLU 67 2HG GLU 67 -19.125 -1.956 -5.965 536 H GLU 68 H GLU 68 -16.429 -2.352 -1.367 537 HA GLU 68 HA GLU 68 -17.341 -0.246 0.430 538 HB2 GLU 68 1HB GLU 68 -17.012 -3.243 0.877 539 HB3 GLU 68 2HB GLU 68 -17.361 -2.111 2.168 540 HG2 GLU 68 1HG GLU 68 -19.205 -1.585 0.008 541 HG3 GLU 68 2HG GLU 68 -19.202 -3.312 0.301 542 H SER 69 H SER 69 -14.596 -1.452 -1.053 543 HA SER 69 HA SER 69 -12.889 -1.448 1.221 544 HB2 SER 69 1HB SER 69 -12.477 -1.669 -1.773 545 HB3 SER 69 2HB SER 69 -11.100 -1.447 -0.712 546 HG SER 69 HG SER 69 -12.973 -3.473 -0.002 547 H SER 70 H SER 70 -11.049 0.098 1.494 548 HA SER 70 HA SER 70 -11.016 2.468 -0.005 549 HB2 SER 70 1HB SER 70 -11.785 4.059 1.675 550 HB3 SER 70 2HB SER 70 -13.066 2.906 1.357 551 HG SER 70 HG SER 70 -11.505 3.283 3.691 552 H TRP 71 H TRP 71 -9.064 3.623 0.400 553 HA TRP 71 HA TRP 71 -7.414 2.480 2.552 554 HB2 TRP 71 1HB TRP 71 -5.482 2.738 1.156 555 HB3 TRP 71 2HB TRP 71 -6.673 1.743 0.342 556 HD1 TRP 71 HD TRP 71 -8.062 3.028 -1.740 557 HE1 TRP 71 1HE TRP 71 -7.336 4.897 -3.456 558 HE3 TRP 71 3HE TRP 71 -4.088 4.698 0.957 559 HZ2 TRP 71 2HZ TRP 71 -5.228 6.821 -3.492 560 HZ3 TRP 71 3HZ TRP 71 -2.748 6.575 0.010 561 HH2 TRP 71 HH TRP 71 -3.263 7.630 -2.134 562 H LEU 72 H LEU 72 -5.717 4.085 3.341 563 HA LEU 72 HA LEU 72 -6.196 6.845 2.764 564 HB2 LEU 72 1HB LEU 72 -6.949 7.536 4.914 565 HB3 LEU 72 2HB LEU 72 -8.071 6.358 4.263 566 HG LEU 72 HG LEU 72 -6.285 4.834 5.787 567 HD11 LEU 72 1HD1 LEU 72 -5.760 5.874 7.734 568 HD12 LEU 72 2HD1 LEU 72 -5.747 7.299 6.667 569 HD13 LEU 72 3HD1 LEU 72 -7.173 6.956 7.675 570 HD21 LEU 72 1HD2 LEU 72 -8.857 5.774 6.984 571 HD22 LEU 72 2HD2 LEU 72 -8.904 4.889 5.440 572 HD23 LEU 72 3HD2 LEU 72 -8.170 4.136 6.876 573 H ILE 73 H ILE 73 -4.581 8.238 3.847 574 HA ILE 73 HA ILE 73 -2.160 6.693 4.308 575 HB ILE 73 HB ILE 73 -2.447 9.677 4.004 576 HG12 ILE 73 1HG1 ILE 73 -2.236 7.541 1.874 577 HG13 ILE 73 2HG1 ILE 73 -3.469 8.774 2.047 578 HG21 ILE 73 1HG2 ILE 73 -0.197 9.785 3.920 579 HG22 ILE 73 2HG2 ILE 73 -0.302 8.268 4.845 580 HG23 ILE 73 3HG2 ILE 73 -0.040 8.221 3.086 581 HD11 ILE 73 1HD1 ILE 73 -0.994 8.946 0.612 582 HD12 ILE 73 2HD1 ILE 73 -2.242 10.202 0.796 583 HD13 ILE 73 3HD1 ILE 73 -0.906 10.096 1.967 584 H GLU 74 H GLU 74 -1.322 6.357 6.301 585 HA GLU 74 HA GLU 74 -2.587 7.844 8.455 586 HB2 GLU 74 1HB GLU 74 -1.514 5.081 8.158 587 HB3 GLU 74 2HB GLU 74 -1.168 5.842 9.698 588 HG2 GLU 74 1HG GLU 74 -3.923 6.406 8.999 589 HG3 GLU 74 2HG GLU 74 -3.646 4.686 8.811 590 H ASP 75 H ASP 75 -1.367 9.068 9.930 591 HA ASP 75 HA ASP 75 0.298 10.228 10.692 592 HB2 ASP 75 1HB ASP 75 1.367 7.620 10.373 593 HB3 ASP 75 2HB ASP 75 2.588 8.682 9.700 594 H GLY 76 H GLY 76 -0.527 10.111 7.642 595 HA2 GLY 76 1HA GLY 76 -0.002 11.185 5.741 596 HA3 GLY 76 2HA GLY 76 0.957 12.272 6.726 597 H LYS 77 H LYS 77 1.372 8.717 6.149 598 HA LYS 77 HA LYS 77 3.490 9.054 4.319 599 HB2 LYS 77 1HB LYS 77 5.229 8.052 5.991 600 HB3 LYS 77 2HB LYS 77 4.963 9.782 5.927 601 HG2 LYS 77 1HG LYS 77 4.189 9.835 8.066 602 HG3 LYS 77 2HG LYS 77 3.059 8.530 7.764 603 HD2 LYS 77 1HD LYS 77 4.417 7.422 9.266 604 HD3 LYS 77 2HD LYS 77 5.328 7.058 7.814 605 HE2 LYS 77 1HE LYS 77 6.914 8.831 8.237 606 HE3 LYS 77 2HE LYS 77 5.892 9.558 9.462 607 HZ1 LYS 77 1HZ LYS 77 7.808 8.089 10.193 608 HZ2 LYS 77 2HZ LYS 77 6.369 7.876 10.936 609 HZ3 LYS 77 3HZ LYS 77 6.859 6.822 9.789 610 H VAL 78 H VAL 78 2.017 7.044 6.932 611 HA VAL 78 HA VAL 78 2.658 4.628 5.508 612 HB VAL 78 HB VAL 78 0.988 5.164 7.972 613 HG11 VAL 78 1HG1 VAL 78 2.088 2.540 6.907 614 HG12 VAL 78 2HG1 VAL 78 1.189 2.769 8.427 615 HG13 VAL 78 3HG1 VAL 78 0.381 3.046 6.865 616 HG21 VAL 78 1HG2 VAL 78 2.873 4.732 9.281 617 HG22 VAL 78 2HG2 VAL 78 3.751 3.956 7.941 618 HG23 VAL 78 3HG2 VAL 78 3.524 5.722 7.953 619 H VAL 79 H VAL 79 1.070 3.143 4.631 620 HA VAL 79 HA VAL 79 -1.394 4.535 3.833 621 HB VAL 79 HB VAL 79 0.449 2.680 2.339 622 HG11 VAL 79 1HG1 VAL 79 -1.516 1.677 1.688 623 HG12 VAL 79 2HG1 VAL 79 -2.484 3.150 1.939 624 HG13 VAL 79 3HG1 VAL 79 -1.437 3.005 0.506 625 HG21 VAL 79 1HG2 VAL 79 0.186 4.518 0.600 626 HG22 VAL 79 2HG2 VAL 79 -0.623 5.473 1.866 627 HG23 VAL 79 3HG2 VAL 79 1.067 4.960 2.082 628 H THR 80 H THR 80 -3.330 3.509 4.220 629 HA THR 80 HA THR 80 -3.138 0.766 5.281 630 HB THR 80 HB THR 80 -5.201 1.653 6.686 631 HG1 THR 80 1HG THR 80 -3.640 4.055 6.065 632 HG21 THR 80 1HG2 THR 80 -2.422 2.811 7.254 633 HG22 THR 80 2HG2 THR 80 -3.725 2.565 8.441 634 HG23 THR 80 3HG2 THR 80 -2.925 1.162 7.694 635 H VAL 81 H VAL 81 -4.628 -0.727 4.593 636 HA VAL 81 HA VAL 81 -6.568 0.288 2.633 637 HB VAL 81 HB VAL 81 -5.043 -2.318 2.493 638 HG11 VAL 81 1HG1 VAL 81 -6.178 -1.306 0.014 639 HG12 VAL 81 2HG1 VAL 81 -6.387 -2.889 0.801 640 HG13 VAL 81 3HG1 VAL 81 -7.428 -1.520 1.263 641 HG21 VAL 81 1HG2 VAL 81 -3.372 -0.733 2.091 642 HG22 VAL 81 2HG2 VAL 81 -3.968 -1.123 0.459 643 HG23 VAL 81 3HG2 VAL 81 -4.487 0.379 1.261 644 H HIS 82 H HIS 82 -8.621 -0.751 2.611 645 HA HIS 82 HA HIS 82 -9.025 -2.640 4.805 646 HB2 HIS 82 1HB HIS 82 -9.814 -0.661 5.765 647 HB3 HIS 82 2HB HIS 82 -10.484 -0.069 4.258 648 HD1 HIS 82 1HD HIS 82 -11.224 -2.424 7.114 649 HD2 HIS 82 2HD HIS 82 -13.085 -0.972 3.646 650 HE1 HIS 82 1HE HIS 82 -13.674 -3.118 7.273 651 H LEU 83 H LEU 83 -9.359 -4.506 3.655 652 HA LEU 83 HA LEU 83 -11.091 -4.329 1.309 653 HB2 LEU 83 1HB LEU 83 -9.408 -6.655 2.235 654 HB3 LEU 83 2HB LEU 83 -10.204 -6.464 0.686 655 HG LEU 83 HG LEU 83 -8.016 -5.985 0.157 656 HD11 LEU 83 1HD1 LEU 83 -8.896 -3.200 0.927 657 HD12 LEU 83 2HD1 LEU 83 -7.887 -3.711 -0.448 658 HD13 LEU 83 3HD1 LEU 83 -9.623 -4.103 -0.424 659 HD21 LEU 83 1HD2 LEU 83 -6.367 -5.288 1.551 660 HD22 LEU 83 2HD2 LEU 83 -7.412 -4.122 2.397 661 HD23 LEU 83 3HD2 LEU 83 -7.522 -5.857 2.780 662 H GLU 84 H GLU 84 -12.908 -5.779 1.066 663 HA GLU 84 HA GLU 84 -13.789 -6.878 3.617 664 HB2 GLU 84 1HB GLU 84 -15.045 -4.800 1.982 665 HB3 GLU 84 2HB GLU 84 -16.123 -6.166 2.192 666 HG2 GLU 84 1HG GLU 84 -15.281 -5.981 4.746 667 HG3 GLU 84 2HG GLU 84 -14.960 -4.323 4.276 668 H LYS 85 H LYS 85 -14.355 -9.019 3.511 669 HA LYS 85 HA LYS 85 -14.109 -10.368 1.031 670 HB2 LYS 85 1HB LYS 85 -15.092 -11.357 3.724 671 HB3 LYS 85 2HB LYS 85 -14.660 -12.367 2.360 672 HG2 LYS 85 1HG LYS 85 -12.373 -11.941 2.577 673 HG3 LYS 85 2HG LYS 85 -12.620 -10.347 3.262 674 HD2 LYS 85 1HD LYS 85 -13.196 -11.247 5.425 675 HD3 LYS 85 2HD LYS 85 -13.397 -12.866 4.785 676 HE2 LYS 85 1HE LYS 85 -10.859 -12.660 4.095 677 HE3 LYS 85 2HE LYS 85 -10.817 -11.328 5.232 678 HZ1 LYS 85 1HZ LYS 85 -11.032 -12.714 6.951 679 HZ2 LYS 85 2HZ LYS 85 -12.075 -13.721 6.199 680 HZ3 LYS 85 3HZ LYS 85 -10.471 -13.849 5.919 681 H ILE 86 H ILE 86 -15.771 -11.652 -0.053 682 HA ILE 86 HA ILE 86 -18.223 -10.168 -0.198 683 HB ILE 86 HB ILE 86 -17.198 -12.593 -1.676 684 HG12 ILE 86 1HG1 ILE 86 -15.997 -10.369 -1.956 685 HG13 ILE 86 2HG1 ILE 86 -16.579 -11.145 -3.416 686 HG21 ILE 86 1HG2 ILE 86 -19.459 -12.862 -1.963 687 HG22 ILE 86 2HG2 ILE 86 -19.802 -11.122 -1.817 688 HG23 ILE 86 3HG2 ILE 86 -19.080 -11.765 -3.312 689 HD11 ILE 86 1HD1 ILE 86 -18.694 -9.705 -3.214 690 HD12 ILE 86 2HD1 ILE 86 -17.847 -8.805 -1.934 691 HD13 ILE 86 3HD1 ILE 86 -17.193 -8.823 -3.589 692 H ASN 87 H ASN 87 -17.024 -13.196 1.227 693 HA ASN 87 HA ASN 87 -19.737 -13.968 1.841 694 HB2 ASN 87 1HB ASN 87 -17.016 -15.297 2.009 695 HB3 ASN 87 2HB ASN 87 -18.309 -15.920 3.014 696 HD21 ASN 87 1HD2 ASN 87 -16.894 -15.862 -0.048 697 HD22 ASN 87 2HD2 ASN 87 -18.088 -16.736 -0.948 698 H LYS 88 H LYS 88 -16.546 -13.219 3.414 699 HA LYS 88 HA LYS 88 -16.020 -12.422 5.404 700 HB2 LYS 88 1HB LYS 88 -18.891 -11.538 5.258 701 HB3 LYS 88 2HB LYS 88 -17.984 -11.312 6.740 702 HG2 LYS 88 1HG LYS 88 -16.131 -10.320 5.081 703 HG3 LYS 88 2HG LYS 88 -17.504 -10.091 4.017 704 HD2 LYS 88 1HD LYS 88 -17.065 -8.904 6.783 705 HD3 LYS 88 2HD LYS 88 -17.302 -8.051 5.271 706 HE2 LYS 88 1HE LYS 88 -19.473 -7.870 5.997 707 HE3 LYS 88 2HE LYS 88 -19.630 -9.489 5.346 708 HZ1 LYS 88 1HZ LYS 88 -18.612 -9.307 8.033 709 HZ2 LYS 88 2HZ LYS 88 -20.178 -8.889 7.837 710 HZ3 LYS 88 3HZ LYS 88 -19.667 -10.373 7.388 711 H MET 89 H MET 89 -15.852 -14.980 5.469 712 HA MET 89 HA MET 89 -16.784 -15.659 8.058 713 HB2 MET 89 1HB MET 89 -17.916 -17.815 7.197 714 HB3 MET 89 2HB MET 89 -18.805 -16.336 6.892 715 HG2 MET 89 1HG MET 89 -18.879 -17.083 4.725 716 HG3 MET 89 2HG MET 89 -17.249 -16.448 4.622 717 HE1 MET 89 1HE MET 89 -18.752 -18.435 3.043 718 HE2 MET 89 2HE MET 89 -17.691 -19.831 2.736 719 HE3 MET 89 3HE MET 89 -19.071 -19.989 3.849 720 H GLU 90 H GLU 90 -15.338 -16.723 4.930 721 HA GLU 90 HA GLU 90 -13.935 -18.863 6.063 722 HB2 GLU 90 1HB GLU 90 -12.774 -18.971 3.919 723 HB3 GLU 90 2HB GLU 90 -14.472 -18.643 3.633 724 HG2 GLU 90 1HG GLU 90 -13.020 -16.133 3.983 725 HG3 GLU 90 2HG GLU 90 -12.244 -17.105 2.749 726 H TRP 91 H TRP 91 -11.579 -19.047 6.402 727 HA TRP 91 HA TRP 91 -10.491 -16.503 7.366 728 HB2 TRP 91 1HB TRP 91 -10.465 -17.888 9.176 729 HB3 TRP 91 2HB TRP 91 -10.252 -19.342 8.221 730 HD1 TRP 91 HD TRP 91 -7.823 -20.320 8.254 731 HE1 TRP 91 1HE TRP 91 -5.396 -19.543 8.940 732 HE3 TRP 91 3HE TRP 91 -9.070 -15.483 9.202 733 HZ2 TRP 91 2HZ TRP 91 -4.295 -17.049 9.783 734 HZ3 TRP 91 3HZ TRP 91 -7.260 -13.942 9.953 735 HH2 TRP 91 HH TRP 91 -4.941 -14.656 10.247 736 H TRP 92 H TRP 92 -8.864 -15.565 6.198 737 HA TRP 92 HA TRP 92 -7.886 -16.925 3.875 738 HB2 TRP 92 1HB TRP 92 -7.403 -14.205 5.082 739 HB3 TRP 92 2HB TRP 92 -6.519 -14.778 3.681 740 HD1 TRP 92 HD TRP 92 -10.276 -15.584 4.023 741 HE1 TRP 92 1HE TRP 92 -11.689 -14.363 2.159 742 HE3 TRP 92 3HE TRP 92 -6.444 -12.768 2.224 743 HZ2 TRP 92 2HZ TRP 92 -11.059 -12.399 0.186 744 HZ3 TRP 92 3HZ TRP 92 -6.928 -11.224 0.328 745 HH2 TRP 92 HH TRP 92 -9.141 -11.014 -0.687 746 H ASN 93 H ASN 93 -5.747 -17.691 3.538 747 HA ASN 93 HA ASN 93 -4.298 -18.069 6.029 748 HB2 ASN 93 1HB ASN 93 -5.096 -19.991 4.307 749 HB3 ASN 93 2HB ASN 93 -3.614 -19.553 3.480 750 HD21 ASN 93 1HD2 ASN 93 -3.861 -22.042 4.429 751 HD22 ASN 93 2HD2 ASN 93 -2.846 -22.321 5.804 752 H ARG 94 H ARG 94 -4.421 -15.977 3.469 753 HA ARG 94 HA ARG 94 -1.847 -15.041 3.859 754 HB2 ARG 94 1HB ARG 94 -1.239 -15.423 1.267 755 HB3 ARG 94 2HB ARG 94 -0.795 -16.601 2.485 756 HG2 ARG 94 1HG ARG 94 -1.847 -17.999 0.949 757 HG3 ARG 94 2HG ARG 94 -3.212 -17.606 1.976 758 HD2 ARG 94 1HD ARG 94 -3.821 -15.730 0.398 759 HD3 ARG 94 2HD ARG 94 -2.495 -16.204 -0.646 760 HE ARG 94 HE ARG 94 -5.071 -17.517 -0.437 761 HH11 ARG 94 2HH2 ARG 94 -1.661 -18.133 -1.052 762 HH12 ARG 94 1HH2 ARG 94 -1.957 -19.560 -1.988 763 HH21 ARG 94 2HH1 ARG 94 -5.461 -19.400 -1.672 764 HH22 ARG 94 1HH1 ARG 94 -4.133 -20.285 -2.343 765 H LEU 95 H LEU 95 -1.474 -13.018 2.597 766 HA LEU 95 HA LEU 95 -3.888 -11.652 2.112 767 HB2 LEU 95 1HB LEU 95 -1.671 -10.751 2.957 768 HB3 LEU 95 2HB LEU 95 -1.116 -10.795 1.296 769 HG LEU 95 HG LEU 95 -1.897 -8.560 2.066 770 HD11 LEU 95 1HD1 LEU 95 -1.808 -9.062 -0.304 771 HD12 LEU 95 2HD1 LEU 95 -3.432 -9.787 -0.242 772 HD13 LEU 95 3HD1 LEU 95 -3.224 -8.044 0.052 773 HD21 LEU 95 1HD2 LEU 95 -4.741 -9.463 1.845 774 HD22 LEU 95 2HD2 LEU 95 -3.868 -9.720 3.375 775 HD23 LEU 95 3HD2 LEU 95 -4.040 -8.076 2.714 776 H VAL 96 H VAL 96 -1.206 -12.695 -0.111 777 HA VAL 96 HA VAL 96 -3.223 -12.691 -2.250 778 HB VAL 96 HB VAL 96 -1.189 -12.235 -3.732 779 HG11 VAL 96 1HG1 VAL 96 -3.067 -10.589 -2.590 780 HG12 VAL 96 2HG1 VAL 96 -1.546 -9.781 -2.143 781 HG13 VAL 96 3HG1 VAL 96 -1.911 -10.106 -3.854 782 HG21 VAL 96 1HG2 VAL 96 -0.044 -11.434 -1.038 783 HG22 VAL 96 2HG2 VAL 96 0.595 -12.654 -2.166 784 HG23 VAL 96 3HG2 VAL 96 0.627 -10.930 -2.608 785 H THR 97 H THR 97 -3.077 -14.409 -3.799 786 HA THR 97 HA THR 97 -2.122 -16.844 -2.652 787 HB THR 97 HB THR 97 -3.083 -17.763 -4.807 788 HG1 THR 97 1HG THR 97 -4.124 -15.914 -6.083 789 HG21 THR 97 1HG2 THR 97 -4.519 -16.326 -2.774 790 HG22 THR 97 2HG2 THR 97 -5.226 -15.861 -4.340 791 HG23 THR 97 3HG2 THR 97 -5.156 -17.576 -3.869 792 H SER 98 H SER 98 -0.890 -14.483 -4.993 793 HA SER 98 HA SER 98 1.385 -16.274 -5.351 794 HB2 SER 98 1HB SER 98 1.770 -14.841 -7.480 795 HB3 SER 98 2HB SER 98 0.471 -16.017 -7.513 796 HG SER 98 HG SER 98 -1.055 -14.428 -7.416 797 H ASP 99 H ASP 99 2.682 -15.527 -3.629 798 HA ASP 99 HA ASP 99 2.866 -12.852 -2.931 799 HB2 ASP 99 1HB ASP 99 4.909 -13.577 -1.672 800 HB3 ASP 99 2HB ASP 99 3.533 -14.624 -1.392 801 HA PRO 100 HA PRO 100 5.696 -11.525 -6.021 802 HB2 PRO 100 1HB PRO 100 6.483 -9.137 -4.951 803 HB3 PRO 100 2HB PRO 100 4.988 -9.342 -5.842 804 HG2 PRO 100 1HG PRO 100 5.384 -9.056 -2.926 805 HG3 PRO 100 2HG PRO 100 3.919 -8.836 -3.862 806 HD2 PRO 100 1HD PRO 100 4.588 -11.096 -2.227 807 HD3 PRO 100 2HD PRO 100 3.177 -10.925 -3.253 808 H GLU 101 H GLU 101 7.372 -9.960 -3.419 809 HA GLU 101 HA GLU 101 9.603 -11.712 -4.052 810 HB2 GLU 101 1HB GLU 101 10.897 -9.848 -2.762 811 HB3 GLU 101 2HB GLU 101 10.314 -9.495 -4.376 812 HG2 GLU 101 1HG GLU 101 8.451 -8.221 -3.550 813 HG3 GLU 101 2HG GLU 101 8.624 -8.860 -1.928 814 H ILE 102 H ILE 102 7.568 -10.427 -1.391 815 HA ILE 102 HA ILE 102 8.823 -12.421 0.366 816 HB ILE 102 HB ILE 102 7.574 -9.814 1.226 817 HG12 ILE 102 1HG1 ILE 102 10.525 -10.429 0.900 818 HG13 ILE 102 2HG1 ILE 102 9.584 -9.450 -0.207 819 HG21 ILE 102 1HG2 ILE 102 7.492 -11.310 3.027 820 HG22 ILE 102 2HG2 ILE 102 9.084 -12.008 2.643 821 HG23 ILE 102 3HG2 ILE 102 8.971 -10.359 3.304 822 HD11 ILE 102 1HD1 ILE 102 9.101 -8.521 2.498 823 HD12 ILE 102 2HD1 ILE 102 10.855 -8.612 2.204 824 HD13 ILE 102 3HD1 ILE 102 9.821 -7.640 1.129 825 H ASN 103 H ASN 103 7.312 -13.299 2.059 826 HA ASN 103 HA ASN 103 4.536 -13.028 1.391 827 HB2 ASN 103 1HB ASN 103 5.449 -14.904 -0.085 828 HB3 ASN 103 2HB ASN 103 5.889 -15.776 1.370 829 HD21 ASN 103 1HD2 ASN 103 4.536 -17.330 1.797 830 HD22 ASN 103 2HD2 ASN 103 2.812 -17.304 1.636 831 H THR 104 H THR 104 6.851 -15.282 3.100 832 HA THR 104 HA THR 104 5.394 -14.707 5.597 833 HB THR 104 HB THR 104 5.779 -17.056 6.201 834 HG1 THR 104 1HG THR 104 7.035 -17.176 3.556 835 HG21 THR 104 1HG2 THR 104 5.096 -17.936 3.570 836 HG22 THR 104 2HG2 THR 104 3.977 -17.636 4.922 837 HG23 THR 104 3HG2 THR 104 4.343 -16.335 3.763 838 H LYS 105 H LYS 105 6.599 -14.488 7.516 839 HA LYS 105 HA LYS 105 9.464 -14.647 7.346 840 HB2 LYS 105 1HB LYS 105 8.077 -12.105 6.948 841 HB3 LYS 105 2HB LYS 105 9.171 -12.053 8.316 842 HG2 LYS 105 1HG LYS 105 11.063 -12.687 6.976 843 HG3 LYS 105 2HG LYS 105 10.050 -13.233 5.653 844 HD2 LYS 105 1HD LYS 105 10.420 -11.178 4.739 845 HD3 LYS 105 2HD LYS 105 9.248 -10.589 5.901 846 HE2 LYS 105 1HE LYS 105 11.593 -10.694 7.418 847 HE3 LYS 105 2HE LYS 105 12.187 -10.215 5.841 848 HZ1 LYS 105 1HZ LYS 105 10.615 -8.425 5.828 849 HZ2 LYS 105 2HZ LYS 105 9.976 -8.894 7.256 850 HZ3 LYS 105 3HZ LYS 105 11.511 -8.339 7.191 851 H LYS 106 H LYS 106 10.371 -15.007 9.365 852 HA LYS 106 HA LYS 106 8.878 -16.052 11.349 853 HB2 LYS 106 1HB LYS 106 11.600 -14.873 11.169 854 HB3 LYS 106 2HB LYS 106 10.957 -15.083 12.785 855 HG2 LYS 106 1HG LYS 106 11.503 -17.279 12.665 856 HG3 LYS 106 2HG LYS 106 10.276 -17.477 11.430 857 HD2 LYS 106 1HD LYS 106 12.077 -18.170 10.169 858 HD3 LYS 106 2HD LYS 106 12.240 -16.451 9.868 859 HE2 LYS 106 1HE LYS 106 13.870 -16.252 11.735 860 HE3 LYS 106 2HE LYS 106 13.670 -17.952 12.115 861 HZ1 LYS 106 1HZ LYS 106 15.158 -18.411 10.583 862 HZ2 LYS 106 2HZ LYS 106 14.261 -17.714 9.410 863 HZ3 LYS 106 3HZ LYS 106 15.354 -16.827 10.239 864 H ILE 107 H ILE 107 7.936 -15.350 13.318 865 HA ILE 107 HA ILE 107 6.473 -13.057 13.219 866 HB ILE 107 HB ILE 107 7.479 -14.469 15.691 867 HG12 ILE 107 1HG1 ILE 107 4.825 -15.229 14.959 868 HG13 ILE 107 2HG1 ILE 107 5.844 -15.429 13.547 869 HG21 ILE 107 1HG2 ILE 107 5.339 -13.659 16.677 870 HG22 ILE 107 2HG2 ILE 107 6.493 -12.362 16.282 871 HG23 ILE 107 3HG2 ILE 107 5.094 -12.662 15.222 872 HD11 ILE 107 1HD1 ILE 107 7.533 -16.544 15.270 873 HD12 ILE 107 2HD1 ILE 107 6.063 -16.756 16.251 874 HD13 ILE 107 3HD1 ILE 107 6.162 -17.480 14.628 875 H ASN 108 H ASN 108 9.437 -13.505 15.282 876 HA ASN 108 HA ASN 108 10.063 -10.739 14.672 877 HB2 ASN 108 1HB ASN 108 8.928 -10.792 16.909 878 HB3 ASN 108 2HB ASN 108 10.083 -11.982 17.474 879 HD21 ASN 108 1HD2 ASN 108 12.371 -11.397 17.437 880 HD22 ASN 108 2HD2 ASN 108 12.844 -9.765 17.773 881 HA PRO 109 HA PRO 109 14.009 -12.642 14.317 882 HB2 PRO 109 1HB PRO 109 15.593 -10.425 14.105 883 HB3 PRO 109 2HB PRO 109 14.699 -11.096 12.756 884 HG2 PRO 109 1HG PRO 109 14.115 -8.671 14.342 885 HG3 PRO 109 2HG PRO 109 13.507 -9.122 12.762 886 HD2 PRO 109 1HD PRO 109 12.096 -9.284 15.255 887 HD3 PRO 109 2HD PRO 109 11.531 -9.842 13.692 888 H GLU 110 H GLU 110 14.574 -9.735 16.244 889 HA GLU 110 HA GLU 110 15.075 -11.361 18.523 890 HB2 GLU 110 1HB GLU 110 17.248 -11.729 17.727 891 HB3 GLU 110 2HB GLU 110 17.341 -10.172 16.929 892 HG2 GLU 110 1HG GLU 110 18.778 -10.138 18.913 893 HG3 GLU 110 2HG GLU 110 17.436 -9.037 19.162 894 H ASN 111 H ASN 111 13.856 -10.180 19.945 895 HA ASN 111 HA ASN 111 14.552 -7.374 20.161 896 HB2 ASN 111 1HB ASN 111 11.889 -8.534 19.474 897 HB3 ASN 111 2HB ASN 111 11.836 -7.373 20.785 898 HD21 ASN 111 1HD2 ASN 111 11.883 -5.281 20.359 899 HD22 ASN 111 2HD2 ASN 111 12.202 -4.550 18.821 900 H SER 112 H SER 112 13.715 -6.488 22.368 901 HA SER 112 HA SER 112 13.291 -8.641 24.268 902 HB2 SER 112 1HB SER 112 15.429 -6.483 24.425 903 HB3 SER 112 2HB SER 112 14.877 -7.344 25.848 904 HG SER 112 HG SER 112 16.391 -8.759 25.282 905 H LYS 113 H LYS 113 11.158 -8.087 24.764 906 HA LYS 113 HA LYS 113 10.551 -5.286 25.233 907 HB2 LYS 113 1HB LYS 113 8.962 -7.778 24.742 908 HB3 LYS 113 2HB LYS 113 8.201 -6.463 25.614 909 HG2 LYS 113 1HG LYS 113 9.466 -5.138 23.500 910 HG3 LYS 113 2HG LYS 113 8.951 -6.638 22.755 911 HD2 LYS 113 1HD LYS 113 6.777 -5.729 24.402 912 HD3 LYS 113 2HD LYS 113 7.342 -4.343 23.490 913 HE2 LYS 113 1HE LYS 113 6.138 -5.139 21.734 914 HE3 LYS 113 2HE LYS 113 7.344 -6.400 21.580 915 HZ1 LYS 113 1HZ LYS 113 4.691 -6.626 22.431 916 HZ2 LYS 113 2HZ LYS 113 5.765 -7.814 22.115 917 HZ3 LYS 113 3HZ LYS 113 5.675 -7.173 23.614 918 H LEU 114 H LEU 114 8.897 -5.019 27.221 919 HA LEU 114 HA LEU 114 10.235 -6.307 29.499 920 HB2 LEU 114 1HB LEU 114 9.344 -4.148 30.668 921 HB3 LEU 114 2HB LEU 114 10.864 -4.157 29.797 922 HG LEU 114 HG LEU 114 8.316 -3.301 28.433 923 HD11 LEU 114 1HD1 LEU 114 10.078 -1.616 30.225 924 HD12 LEU 114 2HD1 LEU 114 8.943 -0.945 29.030 925 HD13 LEU 114 3HD1 LEU 114 8.333 -1.929 30.382 926 HD21 LEU 114 1HD2 LEU 114 10.869 -1.977 27.818 927 HD22 LEU 114 2HD2 LEU 114 10.841 -3.722 27.471 928 HD23 LEU 114 3HD2 LEU 114 9.626 -2.649 26.736 929 H SER 115 H SER 115 8.881 -8.047 29.865 930 HA SER 115 HA SER 115 6.075 -7.337 30.223 931 HB2 SER 115 1HB SER 115 7.438 -9.704 29.032 932 HB3 SER 115 2HB SER 115 6.082 -10.086 30.073 933 HG SER 115 HG SER 115 4.677 -8.980 28.744 934 H ASP 116 H ASP 116 6.531 -6.615 32.440 935 HA ASP 116 HA ASP 116 6.963 -8.898 34.197 936 HB2 ASP 116 1HB ASP 116 8.201 -6.158 34.196 937 HB3 ASP 116 2HB ASP 116 7.798 -6.835 35.761 938 H LEU 117 H LEU 117 4.442 -8.751 33.867 939 HA LEU 117 HA LEU 117 3.161 -6.509 35.115 940 HB2 LEU 117 1HB LEU 117 1.335 -7.222 34.074 941 HB3 LEU 117 2HB LEU 117 2.446 -8.229 33.166 942 HG LEU 117 HG LEU 117 0.725 -9.680 33.760 943 HD11 LEU 117 1HD1 LEU 117 3.273 -10.066 34.896 944 HD12 LEU 117 2HD1 LEU 117 2.096 -10.600 36.120 945 HD13 LEU 117 3HD1 LEU 117 2.057 -11.298 34.483 946 HD21 LEU 117 1HD2 LEU 117 -0.741 -9.192 35.347 947 HD22 LEU 117 2HD2 LEU 117 0.480 -9.525 36.599 948 HD23 LEU 117 3HD2 LEU 117 0.318 -7.884 35.928 949 H ASP 118 H ASP 118 1.728 -6.701 37.010 950 HA ASP 118 HA ASP 118 2.676 -8.809 38.788 951 HB2 ASP 118 1HB ASP 118 3.576 -6.542 39.379 952 HB3 ASP 118 2HB ASP 118 1.938 -5.930 39.498 953 H SER 119 H SER 119 1.015 -9.786 40.103 954 HA SER 119 HA SER 119 -1.440 -8.689 40.596 955 HB2 SER 119 1HB SER 119 -1.271 -9.540 37.891 956 HB3 SER 119 2HB SER 119 -2.212 -10.775 38.704 957 HG SER 119 HG SER 119 -3.374 -8.797 37.808 958 H GLU 120 H GLU 120 -2.113 -9.835 42.379 959 HA GLU 120 HA GLU 120 -2.129 -12.645 42.366 960 HB2 GLU 120 1HB GLU 120 0.223 -11.268 43.529 961 HB3 GLU 120 2HB GLU 120 -0.546 -12.391 44.634 962 HG2 GLU 120 1HG GLU 120 -0.545 -13.968 42.438 963 HG3 GLU 120 2HG GLU 120 0.803 -12.939 41.997 964 H THR 121 H THR 121 -4.203 -12.733 43.162 965 HA THR 121 HA THR 121 -4.663 -11.360 45.726 966 HB THR 121 HB THR 121 -5.781 -10.203 43.782 967 HG1 THR 121 1HG THR 121 -7.433 -11.823 45.591 968 HG21 THR 121 1HG2 THR 121 -6.567 -12.980 43.173 969 HG22 THR 121 2HG2 THR 121 -7.981 -11.910 43.337 970 HG23 THR 121 3HG2 THR 121 -6.706 -11.526 42.155 971 H ARG 122 H ARG 122 -6.172 -12.394 47.176 972 HA ARG 122 HA ARG 122 -7.305 -14.837 46.603 973 HB2 ARG 122 1HB ARG 122 -4.474 -14.931 47.568 974 HB3 ARG 122 2HB ARG 122 -5.577 -15.988 48.426 975 HG2 ARG 122 1HG ARG 122 -6.179 -16.239 45.625 976 HG3 ARG 122 2HG ARG 122 -4.436 -16.330 45.785 977 HD2 ARG 122 1HD ARG 122 -5.002 -18.570 46.143 978 HD3 ARG 122 2HD ARG 122 -4.990 -17.988 47.796 979 HE ARG 122 HE ARG 122 -7.608 -17.609 46.643 980 HH11 ARG 122 2HH2 ARG 122 -5.489 -20.114 47.913 981 HH12 ARG 122 1HH2 ARG 122 -6.790 -21.156 48.382 982 HH21 ARG 122 2HH1 ARG 122 -9.326 -18.983 47.262 983 HH22 ARG 122 1HH1 ARG 122 -8.987 -20.508 48.009 984 H SER 123 H SER 123 -8.094 -15.939 48.735 985 HA SER 123 HA SER 123 -7.831 -14.398 51.094 986 HB2 SER 123 1HB SER 123 -9.879 -13.599 49.304 987 HB3 SER 123 2HB SER 123 -10.701 -14.520 50.548 988 HG SER 123 HG SER 123 -10.619 -12.424 51.328 989 H MET 124 H MET 124 -9.236 -15.409 52.905 990 HA MET 124 HA MET 124 -10.378 -17.939 52.324 991 HB2 MET 124 1HB MET 124 -7.576 -17.844 52.845 992 HB3 MET 124 2HB MET 124 -8.286 -18.361 54.361 993 HG2 MET 124 1HG MET 124 -9.702 -19.948 52.633 994 HG3 MET 124 2HG MET 124 -8.219 -19.771 51.716 995 HE1 MET 124 1HE MET 124 -8.069 -23.220 53.260 996 HE2 MET 124 2HE MET 124 -9.499 -22.586 54.110 997 HE3 MET 124 3HE MET 124 -9.254 -22.221 52.385 998 H VAL 125 H VAL 125 -11.964 -18.366 53.832 999 HA VAL 125 HA VAL 125 -11.712 -17.771 56.552 1000 HB VAL 125 HB VAL 125 -11.853 -15.450 55.656 1001 HG11 VAL 125 1HG1 VAL 125 -13.671 -14.618 54.501 1002 HG12 VAL 125 2HG1 VAL 125 -13.578 -16.267 53.838 1003 HG13 VAL 125 3HG1 VAL 125 -14.772 -15.881 55.101 1004 HG21 VAL 125 1HG2 VAL 125 -14.059 -16.461 57.473 1005 HG22 VAL 125 2HG2 VAL 125 -12.473 -15.799 57.935 1006 HG23 VAL 125 3HG2 VAL 125 -13.707 -14.734 57.220 1007 H SER 126 H SER 126 -12.960 -19.306 57.480 1008 HA SER 126 HA SER 126 -15.612 -19.692 56.585 1009 HB2 SER 126 1HB SER 126 -14.790 -21.106 54.884 1010 HB3 SER 126 2HB SER 126 -13.477 -21.709 55.874 1011 HG SER 126 HG SER 126 -14.810 -23.134 56.886 1012 H GLY 127 H GLY 127 -16.821 -21.108 58.090 1013 HA2 GLY 127 1HA GLY 127 -15.601 -22.491 60.215 1014 HA3 GLY 127 2HA GLY 127 -15.989 -20.869 60.752 1015 HA PRO 128 HA PRO 128 -19.772 -23.616 60.600 1016 HB2 PRO 128 1HB PRO 128 -19.781 -24.841 63.043 1017 HB3 PRO 128 2HB PRO 128 -19.220 -25.626 61.580 1018 HG2 PRO 128 1HG PRO 128 -17.633 -24.529 63.820 1019 HG3 PRO 128 2HG PRO 128 -17.143 -25.669 62.583 1020 HD2 PRO 128 1HD PRO 128 -16.481 -22.881 62.706 1021 HD3 PRO 128 2HD PRO 128 -16.089 -23.995 61.411 1022 H SER 129 H SER 129 -21.671 -23.715 62.397 1023 HA SER 129 HA SER 129 -21.509 -21.374 64.020 1024 HB2 SER 129 1HB SER 129 -23.826 -20.645 62.871 1025 HB3 SER 129 2HB SER 129 -22.279 -20.051 62.299 1026 HG SER 129 HG SER 129 -23.971 -22.073 61.167 1027 H SER 130 H SER 130 -23.760 -21.083 65.206 1028 HA SER 130 HA SER 130 -25.343 -23.457 65.227 1029 HB2 SER 130 1HB SER 130 -25.006 -23.806 67.722 1030 HB3 SER 130 2HB SER 130 -23.642 -24.262 66.721 1031 HG SER 130 HG SER 130 -23.254 -22.885 68.737 1032 H GLY 131 H GLY 131 -27.214 -23.184 66.880 1033 HA2 GLY 131 1HA GLY 131 -28.366 -21.639 68.327 1034 HA3 GLY 131 2HA GLY 131 -27.749 -20.316 67.358 Start of MODEL 7 1 H1 GLY 1 H GLY 1 23.943 -17.329 12.025 2 HA2 GLY 1 1HA GLY 1 25.572 -14.997 12.166 3 HA3 GLY 1 2HA GLY 1 25.171 -15.936 10.742 4 H SER 2 H SER 2 22.567 -15.757 10.248 5 HA SER 2 HA SER 2 22.061 -12.884 10.280 6 HB2 SER 2 1HB SER 2 21.497 -15.001 8.175 7 HB3 SER 2 2HB SER 2 20.644 -13.470 8.171 8 HG SER 2 HG SER 2 23.262 -12.888 8.473 9 H SER 3 H SER 3 19.923 -12.170 10.788 10 HA SER 3 HA SER 3 18.509 -13.903 12.467 11 HB2 SER 3 1HB SER 3 16.895 -12.036 12.653 12 HB3 SER 3 2HB SER 3 18.544 -11.463 12.804 13 HG SER 3 HG SER 3 16.629 -10.899 10.846 14 H GLY 4 H GLY 4 15.980 -14.162 12.157 15 HA2 GLY 4 1HA GLY 4 15.529 -15.062 9.376 16 HA3 GLY 4 2HA GLY 4 14.882 -15.840 10.807 17 H SER 5 H SER 5 12.990 -15.277 9.015 18 HA SER 5 HA SER 5 11.349 -13.490 10.380 19 HB2 SER 5 1HB SER 5 12.910 -12.383 8.127 20 HB3 SER 5 2HB SER 5 11.183 -12.150 7.938 21 HG SER 5 HG SER 5 11.301 -11.363 10.291 22 H SER 6 H SER 6 9.208 -13.132 8.970 23 HA SER 6 HA SER 6 8.860 -15.005 6.877 24 HB2 SER 6 1HB SER 6 8.396 -15.917 9.562 25 HB3 SER 6 2HB SER 6 6.830 -15.750 8.794 26 HG SER 6 HG SER 6 9.071 -17.360 7.954 27 H GLY 7 H GLY 7 7.757 -13.617 5.531 28 HA2 GLY 7 1HA GLY 7 5.306 -12.930 5.362 29 HA3 GLY 7 2HA GLY 7 5.680 -11.899 6.729 30 HA PRO 8 HA PRO 8 6.811 -9.775 2.789 31 HB2 PRO 8 1HB PRO 8 4.762 -7.978 2.588 32 HB3 PRO 8 2HB PRO 8 4.793 -9.498 1.716 33 HG2 PRO 8 1HG PRO 8 3.200 -8.758 4.093 34 HG3 PRO 8 2HG PRO 8 2.947 -10.079 2.970 35 HD2 PRO 8 1HD PRO 8 4.052 -10.259 5.611 36 HD3 PRO 8 2HD PRO 8 3.906 -11.559 4.445 37 H ASN 9 H ASN 9 6.469 -7.027 2.557 38 HA ASN 9 HA ASN 9 7.992 -6.293 4.915 39 HB2 ASN 9 1HB ASN 9 7.666 -4.834 2.239 40 HB3 ASN 9 2HB ASN 9 8.743 -4.342 3.531 41 HD21 ASN 9 1HD2 ASN 9 10.042 -4.594 1.379 42 HD22 ASN 9 2HD2 ASN 9 10.917 -6.079 1.206 43 H TYR 10 H TYR 10 5.107 -6.566 5.106 44 HA TYR 10 HA TYR 10 4.443 -3.929 5.994 45 HB2 TYR 10 1HB TYR 10 2.473 -3.752 4.458 46 HB3 TYR 10 2HB TYR 10 3.935 -3.903 3.503 47 HD1 TYR 10 2HD TYR 10 1.083 -5.884 4.876 48 HD2 TYR 10 1HD TYR 10 4.162 -5.633 1.916 49 HE1 TYR 10 2HE TYR 10 0.095 -7.890 3.667 50 HE2 TYR 10 1HE TYR 10 3.163 -7.640 0.717 51 HH TYR 10 HH TYR 10 0.404 -8.606 0.816 52 H ARG 11 H ARG 11 2.193 -3.918 7.014 53 HA ARG 11 HA ARG 11 1.803 -6.546 8.173 54 HB2 ARG 11 1HB ARG 11 0.647 -5.333 10.016 55 HB3 ARG 11 2HB ARG 11 2.259 -4.696 9.762 56 HG2 ARG 11 1HG ARG 11 1.299 -2.846 8.362 57 HG3 ARG 11 2HG ARG 11 -0.311 -3.477 8.646 58 HD2 ARG 11 1HD ARG 11 -0.396 -2.195 10.521 59 HD3 ARG 11 2HD ARG 11 0.792 -3.268 11.235 60 HE ARG 11 HE ARG 11 2.265 -1.482 9.636 61 HH11 ARG 11 2HH2 ARG 11 0.098 -1.253 12.399 62 HH12 ARG 11 1HH2 ARG 11 0.846 0.177 13.029 63 HH21 ARG 11 2HH1 ARG 11 3.252 0.405 10.466 64 HH22 ARG 11 1HH1 ARG 11 2.652 1.126 11.922 65 H TRP 12 H TRP 12 -0.311 -7.517 8.240 66 HA TRP 12 HA TRP 12 -2.501 -6.065 7.017 67 HB2 TRP 12 1HB TRP 12 -2.866 -7.446 5.211 68 HB3 TRP 12 2HB TRP 12 -1.129 -7.212 5.185 69 HD1 TRP 12 HD TRP 12 0.360 -9.406 5.355 70 HE1 TRP 12 1HE TRP 12 -0.052 -12.006 5.547 71 HE3 TRP 12 3HE TRP 12 -4.616 -9.075 6.346 72 HZ2 TRP 12 2HZ TRP 12 -2.360 -13.596 6.080 73 HZ3 TRP 12 3HZ TRP 12 -5.875 -11.199 6.690 74 HH2 TRP 12 HH TRP 12 -4.827 -13.404 6.571 75 H THR 13 H THR 13 -4.474 -6.761 7.887 76 HA THR 13 HA THR 13 -4.458 -9.248 9.425 77 HB THR 13 HB THR 13 -5.442 -8.017 11.374 78 HG1 THR 13 1HG THR 13 -5.517 -5.686 11.138 79 HG21 THR 13 1HG2 THR 13 -2.850 -8.186 11.066 80 HG22 THR 13 2HG2 THR 13 -2.941 -6.495 10.520 81 HG23 THR 13 3HG2 THR 13 -3.455 -6.926 12.168 82 H GLN 14 H GLN 14 -6.815 -9.647 10.284 83 HA GLN 14 HA GLN 14 -8.845 -8.476 8.711 84 HB2 GLN 14 1HB GLN 14 -9.470 -10.352 7.338 85 HB3 GLN 14 2HB GLN 14 -7.761 -10.072 7.064 86 HG2 GLN 14 1HG GLN 14 -7.388 -11.835 8.980 87 HG3 GLN 14 2HG GLN 14 -9.064 -12.268 8.712 88 HE21 GLN 14 1HE2 GLN 14 -6.713 -13.864 8.296 89 HE22 GLN 14 2HE2 GLN 14 -6.659 -14.327 6.628 90 H THR 15 H THR 15 -11.009 -9.244 9.373 91 HA THR 15 HA THR 15 -10.920 -10.889 11.813 92 HB THR 15 HB THR 15 -11.130 -8.504 12.432 93 HG1 THR 15 1HG THR 15 -13.449 -8.798 13.262 94 HG21 THR 15 1HG2 THR 15 -12.955 -7.119 11.640 95 HG22 THR 15 2HG2 THR 15 -12.181 -7.782 10.181 96 HG23 THR 15 3HG2 THR 15 -13.701 -8.487 10.780 97 H LEU 16 H LEU 16 -11.268 -12.377 9.723 98 HA LEU 16 HA LEU 16 -12.676 -13.528 8.423 99 HB2 LEU 16 1HB LEU 16 -13.865 -13.527 11.170 100 HB3 LEU 16 2HB LEU 16 -14.699 -14.355 9.870 101 HG LEU 16 HG LEU 16 -12.895 -15.531 11.476 102 HD11 LEU 16 1HD1 LEU 16 -14.176 -16.907 10.126 103 HD12 LEU 16 2HD1 LEU 16 -13.670 -16.091 8.627 104 HD13 LEU 16 3HD1 LEU 16 -12.536 -17.163 9.484 105 HD21 LEU 16 1HD2 LEU 16 -11.070 -14.039 10.680 106 HD22 LEU 16 2HD2 LEU 16 -10.745 -15.771 10.427 107 HD23 LEU 16 3HD2 LEU 16 -11.246 -14.750 9.058 108 H ALA 17 H ALA 17 -12.978 -10.582 8.260 109 HA ALA 17 HA ALA 17 -15.509 -10.604 6.902 110 HB1 ALA 17 1HB ALA 17 -15.824 -8.280 8.362 111 HB2 ALA 17 2HB ALA 17 -16.664 -9.816 8.684 112 HB3 ALA 17 3HB ALA 17 -15.181 -9.408 9.580 113 H GLU 18 H GLU 18 -13.505 -7.951 8.341 114 HA GLU 18 HA GLU 18 -13.028 -7.077 5.613 115 HB2 GLU 18 1HB GLU 18 -12.592 -5.521 8.197 116 HB3 GLU 18 2HB GLU 18 -12.573 -4.872 6.570 117 HG2 GLU 18 1HG GLU 18 -14.961 -5.407 6.273 118 HG3 GLU 18 2HG GLU 18 -15.009 -6.224 7.822 119 H LEU 19 H LEU 19 -10.811 -6.091 5.157 120 HA LEU 19 HA LEU 19 -8.760 -7.552 6.672 121 HB2 LEU 19 1HB LEU 19 -9.348 -7.440 3.792 122 HB3 LEU 19 2HB LEU 19 -7.665 -7.171 4.199 123 HG LEU 19 HG LEU 19 -8.926 -9.486 5.548 124 HD11 LEU 19 1HD1 LEU 19 -8.434 -10.815 3.331 125 HD12 LEU 19 2HD1 LEU 19 -10.014 -10.045 3.609 126 HD13 LEU 19 3HD1 LEU 19 -8.809 -9.252 2.567 127 HD21 LEU 19 1HD2 LEU 19 -6.560 -8.983 5.818 128 HD22 LEU 19 2HD2 LEU 19 -6.781 -10.542 4.986 129 HD23 LEU 19 3HD2 LEU 19 -6.315 -9.096 4.058 130 H ASP 20 H ASP 20 -7.187 -6.319 7.577 131 HA ASP 20 HA ASP 20 -7.221 -3.516 6.807 132 HB2 ASP 20 1HB ASP 20 -6.867 -4.996 9.340 133 HB3 ASP 20 2HB ASP 20 -5.622 -3.786 9.103 134 H LEU 21 H LEU 21 -5.335 -2.629 5.882 135 HA LEU 21 HA LEU 21 -2.876 -4.196 6.106 136 HB2 LEU 21 1HB LEU 21 -3.660 -4.923 4.034 137 HB3 LEU 21 2HB LEU 21 -4.279 -3.344 3.594 138 HG LEU 21 HG LEU 21 -2.289 -3.973 2.299 139 HD11 LEU 21 1HD1 LEU 21 -1.115 -1.762 3.812 140 HD12 LEU 21 2HD1 LEU 21 -1.688 -1.831 2.129 141 HD13 LEU 21 3HD1 LEU 21 -2.841 -1.528 3.450 142 HD21 LEU 21 1HD2 LEU 21 -0.337 -3.546 4.436 143 HD22 LEU 21 2HD2 LEU 21 -1.325 -5.010 4.666 144 HD23 LEU 21 3HD2 LEU 21 -0.399 -4.787 3.162 145 H ALA 22 H ALA 22 -0.977 -2.955 6.192 146 HA ALA 22 HA ALA 22 -1.260 -0.082 5.847 147 HB1 ALA 22 1HB ALA 22 -1.829 -0.721 8.255 148 HB2 ALA 22 2HB ALA 22 -0.139 -1.255 8.414 149 HB3 ALA 22 3HB ALA 22 -0.504 0.449 8.052 150 H VAL 23 H VAL 23 0.498 0.696 4.779 151 HA VAL 23 HA VAL 23 2.977 -0.855 5.009 152 HB VAL 23 HB VAL 23 1.871 0.313 2.451 153 HG11 VAL 23 1HG1 VAL 23 4.415 0.023 2.837 154 HG12 VAL 23 2HG1 VAL 23 4.086 -1.721 2.704 155 HG13 VAL 23 3HG1 VAL 23 3.702 -0.637 1.345 156 HG21 VAL 23 1HG2 VAL 23 0.576 -1.488 2.237 157 HG22 VAL 23 2HG2 VAL 23 2.030 -2.514 2.287 158 HG23 VAL 23 3HG2 VAL 23 1.160 -2.130 3.791 159 HA PRO 24 HA PRO 24 4.058 3.313 5.985 160 HB2 PRO 24 1HB PRO 24 6.279 2.714 7.462 161 HB3 PRO 24 2HB PRO 24 4.670 2.820 8.150 162 HG2 PRO 24 1HG PRO 24 6.274 0.411 7.549 163 HG3 PRO 24 2HG PRO 24 4.882 0.569 8.602 164 HD2 PRO 24 1HD PRO 24 4.922 -0.568 5.969 165 HD3 PRO 24 2HD PRO 24 3.512 -0.305 6.975 166 H PHE 25 H PHE 25 5.675 4.852 5.386 167 HA PHE 25 HA PHE 25 7.624 3.669 3.550 168 HB2 PHE 25 1HB PHE 25 5.743 6.074 3.166 169 HB3 PHE 25 2HB PHE 25 7.068 5.719 2.074 170 HD1 PHE 25 1HD PHE 25 6.832 2.752 1.894 171 HD2 PHE 25 2HD PHE 25 3.854 5.775 1.830 172 HE1 PHE 25 1HE PHE 25 5.330 1.245 0.563 173 HE2 PHE 25 2HE PHE 25 2.353 4.268 0.498 174 HZ PHE 25 HZ PHE 25 3.109 2.021 -0.120 175 H ARG 26 H ARG 26 9.338 5.388 2.909 176 HA ARG 26 HA ARG 26 10.025 6.741 5.368 177 HB2 ARG 26 1HB ARG 26 11.518 5.479 3.138 178 HB3 ARG 26 2HB ARG 26 12.194 7.024 3.613 179 HG2 ARG 26 1HG ARG 26 11.476 4.952 5.715 180 HG3 ARG 26 2HG ARG 26 12.997 4.848 4.852 181 HD2 ARG 26 1HD ARG 26 13.364 7.337 5.531 182 HD3 ARG 26 2HD ARG 26 12.028 7.115 6.643 183 HE ARG 26 HE ARG 26 14.089 5.034 6.855 184 HH11 ARG 26 2HH2 ARG 26 13.049 8.206 7.969 185 HH12 ARG 26 1HH2 ARG 26 13.955 8.127 9.443 186 HH21 ARG 26 2HH1 ARG 26 15.285 4.929 8.800 187 HH22 ARG 26 1HH1 ARG 26 15.236 6.250 9.919 188 H VAL 27 H VAL 27 8.744 8.667 5.210 189 HA VAL 27 HA VAL 27 9.657 10.491 3.108 190 HB VAL 27 HB VAL 27 7.269 11.369 3.111 191 HG11 VAL 27 1HG1 VAL 27 6.916 10.247 1.176 192 HG12 VAL 27 2HG1 VAL 27 8.555 9.621 1.477 193 HG13 VAL 27 3HG1 VAL 27 7.134 8.652 1.935 194 HG21 VAL 27 1HG2 VAL 27 6.880 9.596 5.161 195 HG22 VAL 27 2HG2 VAL 27 5.585 10.300 4.162 196 HG23 VAL 27 3HG2 VAL 27 6.232 8.687 3.774 197 H SER 28 H SER 28 8.977 12.846 3.748 198 HA SER 28 HA SER 28 9.294 13.051 6.642 199 HB2 SER 28 1HB SER 28 11.133 13.860 4.708 200 HB3 SER 28 2HB SER 28 10.275 15.348 5.056 201 HG SER 28 HG SER 28 12.153 14.953 6.457 202 H PHE 29 H PHE 29 7.055 13.271 4.317 203 HA PHE 29 HA PHE 29 5.760 15.542 5.609 204 HB2 PHE 29 1HB PHE 29 4.944 16.061 3.157 205 HB3 PHE 29 2HB PHE 29 6.582 16.531 3.567 206 HD1 PHE 29 2HD PHE 29 4.801 13.511 2.262 207 HD2 PHE 29 1HD PHE 29 8.212 16.025 2.028 208 HE1 PHE 29 2HE PHE 29 5.673 12.150 0.342 209 HE2 PHE 29 1HE PHE 29 9.084 14.664 0.108 210 HZ PHE 29 HZ PHE 29 7.804 12.742 -0.712 211 H ARG 30 H ARG 30 3.336 15.630 4.711 212 HA ARG 30 HA ARG 30 2.327 13.036 5.271 213 HB2 ARG 30 1HB ARG 30 1.218 15.811 4.978 214 HB3 ARG 30 2HB ARG 30 0.097 14.506 4.648 215 HG2 ARG 30 1HG ARG 30 -0.201 14.253 6.880 216 HG3 ARG 30 2HG ARG 30 1.461 13.711 7.007 217 HD2 ARG 30 1HD ARG 30 2.171 15.697 7.912 218 HD3 ARG 30 2HD ARG 30 1.228 16.658 6.790 219 HE ARG 30 HE ARG 30 0.381 15.731 9.445 220 HH11 ARG 30 2HH2 ARG 30 -0.689 16.941 6.319 221 HH12 ARG 30 1HH2 ARG 30 -2.207 17.520 6.919 222 HH21 ARG 30 2HH1 ARG 30 -1.622 16.495 10.238 223 HH22 ARG 30 1HH1 ARG 30 -2.741 17.265 9.164 224 H LEU 31 H LEU 31 2.550 11.582 3.552 225 HA LEU 31 HA LEU 31 2.566 12.211 0.884 226 HB2 LEU 31 1HB LEU 31 2.058 9.766 2.497 227 HB3 LEU 31 2HB LEU 31 1.608 9.717 0.804 228 HG LEU 31 HG LEU 31 4.367 10.578 1.675 229 HD11 LEU 31 1HD1 LEU 31 4.328 7.863 0.722 230 HD12 LEU 31 2HD1 LEU 31 4.969 8.522 2.246 231 HD13 LEU 31 3HD1 LEU 31 3.262 8.026 2.138 232 HD21 LEU 31 1HD2 LEU 31 3.295 9.434 -0.919 233 HD22 LEU 31 2HD2 LEU 31 3.739 11.130 -0.611 234 HD23 LEU 31 3HD2 LEU 31 4.990 9.864 -0.589 235 H LYS 32 H LYS 32 1.032 12.406 -0.759 236 HA LYS 32 HA LYS 32 -1.641 12.989 0.216 237 HB2 LYS 32 1HB LYS 32 -0.036 13.701 -2.211 238 HB3 LYS 32 2HB LYS 32 -1.784 13.710 -2.334 239 HG2 LYS 32 1HG LYS 32 -0.456 15.085 0.017 240 HG3 LYS 32 2HG LYS 32 -0.493 15.890 -1.539 241 HD2 LYS 32 1HD LYS 32 -2.676 16.454 -1.275 242 HD3 LYS 32 2HD LYS 32 -3.125 14.788 -0.970 243 HE2 LYS 32 1HE LYS 32 -2.040 15.256 1.429 244 HE3 LYS 32 2HE LYS 32 -2.337 16.932 1.013 245 HZ1 LYS 32 1HZ LYS 32 -4.334 16.443 1.849 246 HZ2 LYS 32 2HZ LYS 32 -4.649 15.851 0.360 247 HZ3 LYS 32 3HZ LYS 32 -4.224 14.838 1.569 248 H GLY 33 H GLY 33 -3.468 12.321 -1.445 249 HA2 GLY 33 1HA GLY 33 -3.290 9.421 -1.642 250 HA3 GLY 33 2HA GLY 33 -4.718 10.422 -1.809 251 H LYS 34 H LYS 34 -1.683 11.204 -3.511 252 HA LYS 34 HA LYS 34 -2.833 10.128 -5.979 253 HB2 LYS 34 1HB LYS 34 -2.193 12.207 -7.158 254 HB3 LYS 34 2HB LYS 34 -3.466 12.449 -5.979 255 HG2 LYS 34 1HG LYS 34 -1.261 12.915 -4.407 256 HG3 LYS 34 2HG LYS 34 -0.646 13.443 -5.961 257 HD2 LYS 34 1HD LYS 34 -3.357 14.447 -5.601 258 HD3 LYS 34 2HD LYS 34 -2.390 14.868 -4.202 259 HE2 LYS 34 1HE LYS 34 -0.824 16.110 -5.488 260 HE3 LYS 34 2HE LYS 34 -1.258 15.302 -6.982 261 HZ1 LYS 34 1HZ LYS 34 -2.336 17.281 -7.165 262 HZ2 LYS 34 2HZ LYS 34 -3.535 16.378 -6.521 263 HZ3 LYS 34 3HZ LYS 34 -2.688 17.406 -5.575 264 H ASP 35 H ASP 35 0.009 11.424 -4.183 265 HA ASP 35 HA ASP 35 1.890 10.683 -6.061 266 HB2 ASP 35 1HB ASP 35 1.910 11.968 -3.626 267 HB3 ASP 35 2HB ASP 35 2.638 10.438 -3.176 268 H VAL 36 H VAL 36 -0.210 8.795 -4.114 269 HA VAL 36 HA VAL 36 1.634 6.511 -4.144 270 HB VAL 36 HB VAL 36 1.046 6.411 -2.007 271 HG11 VAL 36 1HG1 VAL 36 -1.317 8.204 -2.650 272 HG12 VAL 36 2HG1 VAL 36 -0.867 7.668 -1.013 273 HG13 VAL 36 3HG1 VAL 36 0.246 8.691 -1.953 274 HG21 VAL 36 1HG2 VAL 36 -1.200 5.372 -1.515 275 HG22 VAL 36 2HG2 VAL 36 -1.589 5.560 -3.242 276 HG23 VAL 36 3HG2 VAL 36 -0.230 4.525 -2.744 277 H VAL 37 H VAL 37 0.444 4.339 -4.503 278 HA VAL 37 HA VAL 37 -1.759 4.692 -6.398 279 HB VAL 37 HB VAL 37 0.797 3.143 -6.847 280 HG11 VAL 37 1HG1 VAL 37 -1.613 2.187 -7.578 281 HG12 VAL 37 2HG1 VAL 37 -1.292 3.257 -8.964 282 HG13 VAL 37 3HG1 VAL 37 -0.140 1.964 -8.553 283 HG21 VAL 37 1HG2 VAL 37 1.486 4.897 -8.038 284 HG22 VAL 37 2HG2 VAL 37 -0.003 4.865 -9.014 285 HG23 VAL 37 3HG2 VAL 37 0.047 5.796 -7.497 286 H VAL 38 H VAL 38 -3.404 3.744 -5.278 287 HA VAL 38 HA VAL 38 -2.821 1.091 -4.153 288 HB VAL 38 HB VAL 38 -4.559 3.334 -3.130 289 HG11 VAL 38 1HG1 VAL 38 -5.156 1.647 -1.292 290 HG12 VAL 38 2HG1 VAL 38 -5.969 1.461 -2.865 291 HG13 VAL 38 3HG1 VAL 38 -4.613 0.392 -2.431 292 HG21 VAL 38 1HG2 VAL 38 -2.122 1.870 -2.117 293 HG22 VAL 38 2HG2 VAL 38 -2.392 3.621 -2.295 294 HG23 VAL 38 3HG2 VAL 38 -3.218 2.720 -1.001 295 H ASP 39 H ASP 39 -3.531 -0.266 -5.760 296 HA ASP 39 HA ASP 39 -6.055 0.412 -7.004 297 HB2 ASP 39 1HB ASP 39 -3.639 -0.771 -7.917 298 HB3 ASP 39 2HB ASP 39 -4.804 -2.081 -7.910 299 H ILE 40 H ILE 40 -7.859 -0.475 -5.985 300 HA ILE 40 HA ILE 40 -7.500 -3.097 -4.708 301 HB ILE 40 HB ILE 40 -9.309 -0.789 -3.999 302 HG12 ILE 40 1HG1 ILE 40 -7.186 -2.142 -2.319 303 HG13 ILE 40 2HG1 ILE 40 -6.859 -0.740 -3.317 304 HG21 ILE 40 1HG2 ILE 40 -9.617 -2.619 -1.990 305 HG22 ILE 40 2HG2 ILE 40 -10.761 -2.357 -3.328 306 HG23 ILE 40 3HG2 ILE 40 -9.556 -3.663 -3.430 307 HD11 ILE 40 1HD1 ILE 40 -7.562 -0.430 -0.780 308 HD12 ILE 40 2HD1 ILE 40 -8.195 0.683 -2.017 309 HD13 ILE 40 3HD1 ILE 40 -9.209 -0.652 -1.418 310 H GLN 41 H GLN 41 -8.084 -4.543 -6.285 311 HA GLN 41 HA GLN 41 -10.518 -3.925 -7.742 312 HB2 GLN 41 1HB GLN 41 -8.078 -5.571 -8.298 313 HB3 GLN 41 2HB GLN 41 -9.586 -6.173 -8.957 314 HG2 GLN 41 1HG GLN 41 -8.610 -3.306 -9.346 315 HG3 GLN 41 2HG GLN 41 -8.294 -4.595 -10.490 316 HE21 GLN 41 1HE2 GLN 41 -9.476 -2.849 -11.760 317 HE22 GLN 41 2HE2 GLN 41 -11.192 -3.023 -11.928 318 H ARG 42 H ARG 42 -11.758 -6.159 -8.350 319 HA ARG 42 HA ARG 42 -12.971 -6.961 -6.062 320 HB2 ARG 42 1HB ARG 42 -13.886 -7.264 -8.372 321 HB3 ARG 42 2HB ARG 42 -12.700 -8.515 -8.685 322 HG2 ARG 42 1HG ARG 42 -14.195 -10.015 -7.872 323 HG3 ARG 42 2HG ARG 42 -13.901 -9.343 -6.280 324 HD2 ARG 42 1HD ARG 42 -16.025 -8.546 -6.208 325 HD3 ARG 42 2HD ARG 42 -15.718 -7.560 -7.623 326 HE ARG 42 HE ARG 42 -16.734 -9.201 -8.992 327 HH11 ARG 42 2HH2 ARG 42 -16.334 -10.408 -5.711 328 HH12 ARG 42 1HH2 ARG 42 -17.347 -11.791 -5.960 329 HH21 ARG 42 2HH1 ARG 42 -18.070 -11.025 -9.321 330 HH22 ARG 42 1HH1 ARG 42 -18.341 -12.144 -8.027 331 H ARG 43 H ARG 43 -10.556 -8.826 -8.057 332 HA ARG 43 HA ARG 43 -9.838 -10.189 -5.592 333 HB2 ARG 43 1HB ARG 43 -11.213 -11.497 -7.502 334 HB3 ARG 43 2HB ARG 43 -9.630 -11.639 -8.238 335 HG2 ARG 43 1HG ARG 43 -8.763 -12.934 -6.463 336 HG3 ARG 43 2HG ARG 43 -9.937 -12.333 -5.310 337 HD2 ARG 43 1HD ARG 43 -11.193 -14.184 -5.701 338 HD3 ARG 43 2HD ARG 43 -11.489 -13.594 -7.324 339 HE ARG 43 HE ARG 43 -9.563 -15.674 -6.537 340 HH11 ARG 43 2HH2 ARG 43 -10.547 -13.412 -9.047 341 HH12 ARG 43 1HH2 ARG 43 -9.759 -14.283 -10.319 342 HH21 ARG 43 2HH1 ARG 43 -8.522 -16.823 -8.216 343 HH22 ARG 43 1HH1 ARG 43 -8.599 -16.236 -9.844 344 H HIS 44 H HIS 44 -8.400 -8.004 -6.138 345 HA HIS 44 HA HIS 44 -5.834 -8.971 -6.624 346 HB2 HIS 44 1HB HIS 44 -7.104 -8.675 -9.007 347 HB3 HIS 44 2HB HIS 44 -6.437 -7.065 -8.816 348 HD1 HIS 44 1HD HIS 44 -3.703 -7.071 -8.242 349 HD2 HIS 44 2HD HIS 44 -5.339 -10.477 -10.064 350 HE1 HIS 44 1HE HIS 44 -1.744 -8.343 -9.269 351 H LEU 45 H LEU 45 -4.662 -7.746 -5.242 352 HA LEU 45 HA LEU 45 -5.587 -4.992 -4.824 353 HB2 LEU 45 1HB LEU 45 -5.788 -6.413 -2.872 354 HB3 LEU 45 2HB LEU 45 -4.104 -6.883 -2.994 355 HG LEU 45 HG LEU 45 -3.429 -4.536 -2.554 356 HD11 LEU 45 1HD1 LEU 45 -6.167 -4.000 -3.105 357 HD12 LEU 45 2HD1 LEU 45 -5.846 -3.527 -1.419 358 HD13 LEU 45 3HD1 LEU 45 -4.857 -2.852 -2.736 359 HD21 LEU 45 1HD2 LEU 45 -4.853 -4.708 -0.147 360 HD22 LEU 45 2HD2 LEU 45 -4.664 -6.387 -0.707 361 HD23 LEU 45 3HD2 LEU 45 -3.231 -5.351 -0.499 362 H ARG 46 H ARG 46 -3.790 -3.406 -4.278 363 HA ARG 46 HA ARG 46 -1.185 -4.056 -5.039 364 HB2 ARG 46 1HB ARG 46 -2.502 -3.904 -7.303 365 HB3 ARG 46 2HB ARG 46 -2.557 -2.177 -7.007 366 HG2 ARG 46 1HG ARG 46 0.053 -2.414 -6.630 367 HG3 ARG 46 2HG ARG 46 -0.130 -3.933 -7.484 368 HD2 ARG 46 1HD ARG 46 -1.490 -1.617 -8.784 369 HD3 ARG 46 2HD ARG 46 0.256 -1.486 -8.711 370 HE ARG 46 HE ARG 46 -0.216 -4.102 -9.586 371 HH11 ARG 46 2HH2 ARG 46 -1.058 -0.878 -10.718 372 HH12 ARG 46 1HH2 ARG 46 -1.105 -1.338 -12.388 373 HH21 ARG 46 2HH1 ARG 46 -0.277 -4.709 -11.789 374 HH22 ARG 46 1HH1 ARG 46 -0.657 -3.531 -13.001 375 H VAL 47 H VAL 47 0.135 -2.573 -3.988 376 HA VAL 47 HA VAL 47 -0.875 0.135 -3.623 377 HB VAL 47 HB VAL 47 -0.104 -1.768 -1.410 378 HG11 VAL 47 1HG1 VAL 47 -0.589 0.395 0.008 379 HG12 VAL 47 2HG1 VAL 47 1.025 0.116 -0.690 380 HG13 VAL 47 3HG1 VAL 47 -0.108 1.235 -1.486 381 HG21 VAL 47 1HG2 VAL 47 -2.506 -1.631 -2.324 382 HG22 VAL 47 2HG2 VAL 47 -2.278 -1.455 -0.568 383 HG23 VAL 47 3HG2 VAL 47 -2.561 -0.016 -1.577 384 H GLY 48 H GLY 48 0.809 1.693 -3.320 385 HA2 GLY 48 1HA GLY 48 3.457 1.246 -2.816 386 HA3 GLY 48 2HA GLY 48 3.293 0.924 -4.531 387 H LEU 49 H LEU 49 4.911 3.007 -3.912 388 HA LEU 49 HA LEU 49 3.283 5.423 -4.030 389 HB2 LEU 49 1HB LEU 49 6.217 4.929 -3.534 390 HB3 LEU 49 2HB LEU 49 5.538 6.529 -3.760 391 HG LEU 49 HG LEU 49 4.625 4.621 -1.593 392 HD11 LEU 49 1HD1 LEU 49 7.087 6.069 -1.770 393 HD12 LEU 49 2HD1 LEU 49 6.082 6.787 -0.488 394 HD13 LEU 49 3HD1 LEU 49 6.471 5.051 -0.446 395 HD21 LEU 49 1HD2 LEU 49 3.020 6.386 -2.280 396 HD22 LEU 49 2HD2 LEU 49 3.573 6.545 -0.596 397 HD23 LEU 49 3HD2 LEU 49 4.236 7.614 -1.855 398 H LYS 50 H LYS 50 3.017 6.608 -5.870 399 HA LYS 50 HA LYS 50 3.322 5.593 -8.328 400 HB2 LYS 50 1HB LYS 50 2.419 7.945 -7.300 401 HB3 LYS 50 2HB LYS 50 3.841 8.506 -8.156 402 HG2 LYS 50 1HG LYS 50 3.046 7.743 -10.257 403 HG3 LYS 50 2HG LYS 50 1.943 6.589 -9.535 404 HD2 LYS 50 1HD LYS 50 0.595 8.536 -8.615 405 HD3 LYS 50 2HD LYS 50 1.652 9.629 -9.486 406 HE2 LYS 50 1HE LYS 50 0.684 7.513 -11.265 407 HE3 LYS 50 2HE LYS 50 -0.663 8.324 -10.490 408 HZ1 LYS 50 1HZ LYS 50 0.785 9.253 -12.589 409 HZ2 LYS 50 2HZ LYS 50 -0.298 10.105 -11.713 410 HZ3 LYS 50 3HZ LYS 50 1.290 10.173 -11.338 411 H GLY 51 H GLY 51 4.940 5.069 -9.713 412 HA2 GLY 51 1HA GLY 51 6.973 5.304 -10.758 413 HA3 GLY 51 2HA GLY 51 7.489 6.457 -9.544 414 H GLN 52 H GLN 52 6.775 4.845 -7.190 415 HA GLN 52 HA GLN 52 9.113 3.215 -7.199 416 HB2 GLN 52 1HB GLN 52 7.282 4.394 -5.199 417 HB3 GLN 52 2HB GLN 52 7.833 2.790 -4.759 418 HG2 GLN 52 1HG GLN 52 10.089 4.273 -5.809 419 HG3 GLN 52 2HG GLN 52 9.287 5.266 -4.608 420 HE21 GLN 52 1HE2 GLN 52 8.778 4.274 -2.524 421 HE22 GLN 52 2HE2 GLN 52 9.867 3.114 -1.841 422 HA PRO 53 HA PRO 53 7.185 -0.661 -7.560 423 HB2 PRO 53 1HB PRO 53 8.416 -2.262 -5.719 424 HB3 PRO 53 2HB PRO 53 9.146 -1.828 -7.252 425 HG2 PRO 53 1HG PRO 53 9.770 -0.810 -4.548 426 HG3 PRO 53 2HG PRO 53 10.740 -0.721 -6.005 427 HD2 PRO 53 1HD PRO 53 9.210 1.402 -4.829 428 HD3 PRO 53 2HD PRO 53 10.086 1.456 -6.346 429 HA PRO 54 HA PRO 54 3.871 -0.902 -4.900 430 HB2 PRO 54 1HB PRO 54 2.480 -2.940 -6.077 431 HB3 PRO 54 2HB PRO 54 2.389 -1.277 -6.622 432 HG2 PRO 54 1HG PRO 54 3.811 -3.556 -7.855 433 HG3 PRO 54 2HG PRO 54 3.354 -2.026 -8.578 434 HD2 PRO 54 1HD PRO 54 5.973 -2.793 -7.696 435 HD3 PRO 54 2HD PRO 54 5.492 -1.224 -8.311 436 H VAL 55 H VAL 55 4.328 -1.441 -2.854 437 HA VAL 55 HA VAL 55 5.710 -3.732 -2.189 438 HB VAL 55 HB VAL 55 3.644 -2.357 -0.471 439 HG11 VAL 55 1HG1 VAL 55 5.884 -2.866 1.058 440 HG12 VAL 55 2HG1 VAL 55 4.416 -3.870 1.000 441 HG13 VAL 55 3HG1 VAL 55 5.817 -4.282 -0.018 442 HG21 VAL 55 1HG2 VAL 55 4.760 -0.466 -1.090 443 HG22 VAL 55 2HG2 VAL 55 5.881 -1.027 0.174 444 HG23 VAL 55 3HG2 VAL 55 6.239 -1.349 -1.540 445 H VAL 56 H VAL 56 2.228 -3.188 -2.786 446 HA VAL 56 HA VAL 56 1.820 -6.059 -2.305 447 HB VAL 56 HB VAL 56 -0.199 -3.814 -2.139 448 HG11 VAL 56 1HG1 VAL 56 -1.098 -6.038 -0.701 449 HG12 VAL 56 2HG1 VAL 56 -1.690 -5.474 -2.282 450 HG13 VAL 56 3HG1 VAL 56 -0.417 -6.715 -2.199 451 HG21 VAL 56 1HG2 VAL 56 1.707 -3.915 -0.368 452 HG22 VAL 56 2HG2 VAL 56 0.019 -3.770 0.179 453 HG23 VAL 56 3HG2 VAL 56 0.840 -5.348 0.237 454 H ASP 57 H ASP 57 0.756 -7.270 -3.905 455 HA ASP 57 HA ASP 57 -0.612 -6.206 -6.015 456 HB2 ASP 57 1HB ASP 57 1.354 -5.179 -6.906 457 HB3 ASP 57 2HB ASP 57 2.365 -6.549 -6.491 458 H GLY 58 H GLY 58 -1.889 -8.101 -5.872 459 HA2 GLY 58 1HA GLY 58 -1.083 -10.443 -7.155 460 HA3 GLY 58 2HA GLY 58 -0.847 -10.686 -5.435 461 H GLU 59 H GLU 59 -2.786 -12.072 -7.138 462 HA GLU 59 HA GLU 59 -5.310 -10.938 -6.870 463 HB2 GLU 59 1HB GLU 59 -4.919 -12.691 -8.494 464 HB3 GLU 59 2HB GLU 59 -4.379 -13.810 -7.258 465 HG2 GLU 59 1HG GLU 59 -6.759 -13.478 -6.205 466 HG3 GLU 59 2HG GLU 59 -7.198 -12.786 -7.754 467 H LEU 60 H LEU 60 -6.972 -11.216 -5.316 468 HA LEU 60 HA LEU 60 -6.025 -11.760 -2.680 469 HB2 LEU 60 1HB LEU 60 -8.767 -11.094 -3.759 470 HB3 LEU 60 2HB LEU 60 -8.372 -11.231 -2.057 471 HG LEU 60 HG LEU 60 -8.381 -8.909 -3.446 472 HD11 LEU 60 1HD1 LEU 60 -8.369 -8.784 -1.133 473 HD12 LEU 60 2HD1 LEU 60 -6.890 -9.762 -0.980 474 HD13 LEU 60 3HD1 LEU 60 -6.790 -8.085 -1.568 475 HD21 LEU 60 1HD2 LEU 60 -5.976 -8.216 -3.701 476 HD22 LEU 60 2HD2 LEU 60 -5.538 -9.936 -3.565 477 HD23 LEU 60 3HD2 LEU 60 -6.566 -9.382 -4.909 478 H TYR 61 H TYR 61 -6.664 -13.454 -1.267 479 HA TYR 61 HA TYR 61 -6.893 -15.960 -2.507 480 HB2 TYR 61 1HB TYR 61 -5.877 -15.533 -0.270 481 HB3 TYR 61 2HB TYR 61 -7.369 -14.825 0.315 482 HD1 TYR 61 1HD TYR 61 -9.447 -16.381 0.452 483 HD2 TYR 61 2HD TYR 61 -5.434 -17.816 0.070 484 HE1 TYR 61 1HE TYR 61 -10.165 -18.650 1.346 485 HE2 TYR 61 2HE TYR 61 -6.166 -20.080 0.966 486 HH TYR 61 HH TYR 61 -7.958 -20.955 2.392 487 H ASN 62 H ASN 62 -9.240 -13.533 -2.043 488 HA ASN 62 HA ASN 62 -11.273 -15.296 -2.864 489 HB2 ASN 62 1HB ASN 62 -11.598 -15.913 -0.578 490 HB3 ASN 62 2HB ASN 62 -11.222 -14.305 0.009 491 HD21 ASN 62 1HD2 ASN 62 -12.774 -12.814 0.234 492 HD22 ASN 62 2HD2 ASN 62 -14.451 -13.043 -0.130 493 H GLU 63 H GLU 63 -12.558 -13.996 -4.195 494 HA GLU 63 HA GLU 63 -12.124 -11.506 -4.834 495 HB2 GLU 63 1HB GLU 63 -14.810 -12.905 -4.572 496 HB3 GLU 63 2HB GLU 63 -14.667 -11.322 -5.309 497 HG2 GLU 63 1HG GLU 63 -13.040 -12.221 -6.967 498 HG3 GLU 63 2HG GLU 63 -13.124 -13.800 -6.213 499 H VAL 64 H VAL 64 -11.916 -9.596 -3.757 500 HA VAL 64 HA VAL 64 -13.428 -9.307 -1.264 501 HB VAL 64 HB VAL 64 -11.735 -7.422 -0.927 502 HG11 VAL 64 1HG1 VAL 64 -11.679 -9.577 0.274 503 HG12 VAL 64 2HG1 VAL 64 -10.714 -10.281 -1.046 504 HG13 VAL 64 3HG1 VAL 64 -10.044 -8.960 -0.060 505 HG21 VAL 64 1HG2 VAL 64 -10.274 -8.919 -3.129 506 HG22 VAL 64 2HG2 VAL 64 -10.991 -7.297 -3.288 507 HG23 VAL 64 3HG2 VAL 64 -9.642 -7.568 -2.158 508 H LYS 65 H LYS 65 -14.824 -7.566 -0.940 509 HA LYS 65 HA LYS 65 -15.892 -6.418 -3.300 510 HB2 LYS 65 1HB LYS 65 -17.091 -7.070 -1.119 511 HB3 LYS 65 2HB LYS 65 -16.491 -5.558 -0.467 512 HG2 LYS 65 1HG LYS 65 -17.992 -4.318 -1.657 513 HG3 LYS 65 2HG LYS 65 -17.671 -5.193 -3.141 514 HD2 LYS 65 1HD LYS 65 -19.282 -6.867 -2.666 515 HD3 LYS 65 2HD LYS 65 -19.265 -6.540 -0.945 516 HE2 LYS 65 1HE LYS 65 -20.229 -4.196 -1.551 517 HE3 LYS 65 2HE LYS 65 -20.531 -4.858 -3.145 518 HZ1 LYS 65 1HZ LYS 65 -21.872 -5.398 -0.688 519 HZ2 LYS 65 2HZ LYS 65 -22.407 -5.555 -2.222 520 HZ3 LYS 65 3HZ LYS 65 -21.524 -6.747 -1.540 521 H VAL 66 H VAL 66 -14.798 -4.913 -4.453 522 HA VAL 66 HA VAL 66 -12.836 -3.262 -3.272 523 HB VAL 66 HB VAL 66 -12.431 -2.536 -5.405 524 HG11 VAL 66 1HG1 VAL 66 -13.998 -5.009 -6.152 525 HG12 VAL 66 2HG1 VAL 66 -12.462 -4.411 -6.823 526 HG13 VAL 66 3HG1 VAL 66 -12.509 -5.100 -5.182 527 HG21 VAL 66 1HG2 VAL 66 -14.596 -1.413 -5.739 528 HG22 VAL 66 2HG2 VAL 66 -14.090 -2.308 -7.192 529 HG23 VAL 66 3HG2 VAL 66 -15.348 -2.978 -6.127 530 H GLU 67 H GLU 67 -16.324 -2.950 -3.953 531 HA GLU 67 HA GLU 67 -16.487 -0.206 -3.728 532 HB2 GLU 67 1HB GLU 67 -18.471 -2.441 -3.173 533 HB3 GLU 67 2HB GLU 67 -18.922 -0.755 -3.009 534 HG2 GLU 67 1HG GLU 67 -17.585 -0.908 -5.508 535 HG3 GLU 67 2HG GLU 67 -18.580 -2.349 -5.444 536 H GLU 68 H GLU 68 -16.653 -2.818 -1.239 537 HA GLU 68 HA GLU 68 -17.060 -0.887 0.825 538 HB2 GLU 68 1HB GLU 68 -16.592 -3.898 0.865 539 HB3 GLU 68 2HB GLU 68 -16.837 -2.950 2.318 540 HG2 GLU 68 1HG GLU 68 -18.988 -2.068 0.956 541 HG3 GLU 68 2HG GLU 68 -18.795 -3.594 0.117 542 H SER 69 H SER 69 -14.478 -1.325 -1.036 543 HA SER 69 HA SER 69 -12.530 -1.694 1.047 544 HB2 SER 69 1HB SER 69 -10.996 -2.074 -0.649 545 HB3 SER 69 2HB SER 69 -12.471 -2.529 -1.479 546 HG SER 69 HG SER 69 -12.496 -0.114 -2.130 547 H SER 70 H SER 70 -10.823 -0.064 1.473 548 HA SER 70 HA SER 70 -11.051 2.503 0.362 549 HB2 SER 70 1HB SER 70 -12.173 2.053 3.154 550 HB3 SER 70 2HB SER 70 -11.594 3.622 2.634 551 HG SER 70 HG SER 70 -13.954 3.188 2.335 552 H TRP 71 H TRP 71 -9.066 3.540 0.620 553 HA TRP 71 HA TRP 71 -7.298 2.426 2.690 554 HB2 TRP 71 1HB TRP 71 -5.453 2.524 1.207 555 HB3 TRP 71 2HB TRP 71 -6.728 1.614 0.423 556 HD1 TRP 71 HD TRP 71 -8.117 3.037 -1.585 557 HE1 TRP 71 1HE TRP 71 -7.315 4.858 -3.317 558 HE3 TRP 71 3HE TRP 71 -3.907 4.348 0.948 559 HZ2 TRP 71 2HZ TRP 71 -5.060 6.604 -3.432 560 HZ3 TRP 71 3HZ TRP 71 -2.460 6.119 -0.044 561 HH2 TRP 71 HH TRP 71 -2.978 7.235 -2.156 562 H LEU 72 H LEU 72 -5.645 4.021 3.450 563 HA LEU 72 HA LEU 72 -6.018 6.761 2.716 564 HB2 LEU 72 1HB LEU 72 -7.083 7.602 4.522 565 HB3 LEU 72 2HB LEU 72 -7.891 6.052 4.395 566 HG LEU 72 HG LEU 72 -5.817 5.430 6.075 567 HD11 LEU 72 1HD1 LEU 72 -6.452 7.619 7.703 568 HD12 LEU 72 2HD1 LEU 72 -4.890 7.257 6.929 569 HD13 LEU 72 3HD1 LEU 72 -6.067 8.311 6.109 570 HD21 LEU 72 1HD2 LEU 72 -7.460 4.915 7.539 571 HD22 LEU 72 2HD2 LEU 72 -8.250 6.503 7.390 572 HD23 LEU 72 3HD2 LEU 72 -8.501 5.264 6.138 573 H ILE 73 H ILE 73 -4.438 8.176 3.933 574 HA ILE 73 HA ILE 73 -2.091 6.546 4.587 575 HB ILE 73 HB ILE 73 -2.095 9.457 3.829 576 HG12 ILE 73 1HG1 ILE 73 -2.087 7.052 1.988 577 HG13 ILE 73 2HG1 ILE 73 -3.248 8.364 2.022 578 HG21 ILE 73 1HG2 ILE 73 0.092 7.475 3.286 579 HG22 ILE 73 2HG2 ILE 73 0.180 9.237 3.528 580 HG23 ILE 73 3HG2 ILE 73 -0.104 8.161 4.917 581 HD11 ILE 73 1HD1 ILE 73 -0.914 9.784 1.713 582 HD12 ILE 73 2HD1 ILE 73 -0.516 8.282 0.846 583 HD13 ILE 73 3HD1 ILE 73 -1.936 9.239 0.361 584 H GLU 74 H GLU 74 -2.075 6.176 6.760 585 HA GLU 74 HA GLU 74 -3.202 7.995 8.565 586 HB2 GLU 74 1HB GLU 74 -1.672 5.432 8.708 587 HB3 GLU 74 2HB GLU 74 -1.604 6.435 10.143 588 HG2 GLU 74 1HG GLU 74 -4.332 6.461 9.278 589 HG3 GLU 74 2HG GLU 74 -3.801 4.795 9.169 590 H ASP 75 H ASP 75 -2.332 9.757 9.610 591 HA ASP 75 HA ASP 75 -0.943 11.382 10.007 592 HB2 ASP 75 1HB ASP 75 0.461 8.896 10.787 593 HB3 ASP 75 2HB ASP 75 1.566 10.224 10.490 594 H GLY 76 H GLY 76 -1.057 10.203 7.175 595 HA2 GLY 76 1HA GLY 76 0.013 10.331 5.192 596 HA3 GLY 76 2HA GLY 76 0.595 11.868 5.803 597 H LYS 77 H LYS 77 1.365 8.609 7.142 598 HA LYS 77 HA LYS 77 4.113 8.989 6.183 599 HB2 LYS 77 1HB LYS 77 4.924 8.097 8.330 600 HB3 LYS 77 2HB LYS 77 4.073 9.618 8.516 601 HG2 LYS 77 1HG LYS 77 2.240 8.635 9.581 602 HG3 LYS 77 2HG LYS 77 2.439 7.102 8.755 603 HD2 LYS 77 1HD LYS 77 3.943 6.294 10.310 604 HD3 LYS 77 2HD LYS 77 4.700 7.856 10.552 605 HE2 LYS 77 1HE LYS 77 3.594 7.835 12.559 606 HE3 LYS 77 2HE LYS 77 2.214 8.358 11.614 607 HZ1 LYS 77 1HZ LYS 77 1.458 6.156 11.460 608 HZ2 LYS 77 2HZ LYS 77 2.846 5.526 12.046 609 HZ3 LYS 77 3HZ LYS 77 1.855 6.374 13.029 610 H VAL 78 H VAL 78 1.441 6.807 7.154 611 HA VAL 78 HA VAL 78 2.762 4.725 5.558 612 HB VAL 78 HB VAL 78 2.510 3.178 7.158 613 HG11 VAL 78 1HG1 VAL 78 3.275 3.962 9.163 614 HG12 VAL 78 2HG1 VAL 78 3.478 5.445 8.199 615 HG13 VAL 78 3HG1 VAL 78 2.056 5.256 9.253 616 HG21 VAL 78 1HG2 VAL 78 0.060 3.205 7.050 617 HG22 VAL 78 2HG2 VAL 78 0.625 3.021 8.728 618 HG23 VAL 78 3HG2 VAL 78 0.017 4.595 8.161 619 H VAL 79 H VAL 79 1.320 3.346 4.343 620 HA VAL 79 HA VAL 79 -1.219 4.697 3.807 621 HB VAL 79 HB VAL 79 0.564 2.861 2.215 622 HG11 VAL 79 1HG1 VAL 79 -1.374 3.492 0.436 623 HG12 VAL 79 2HG1 VAL 79 -1.363 1.989 1.390 624 HG13 VAL 79 3HG1 VAL 79 -2.348 3.374 1.921 625 HG21 VAL 79 1HG2 VAL 79 -0.389 5.719 1.878 626 HG22 VAL 79 2HG2 VAL 79 1.276 5.134 2.109 627 HG23 VAL 79 3HG2 VAL 79 0.417 4.796 0.587 628 H THR 80 H THR 80 -3.065 3.827 4.587 629 HA THR 80 HA THR 80 -2.960 0.996 5.389 630 HB THR 80 HB THR 80 -5.002 1.870 6.817 631 HG1 THR 80 1HG THR 80 -4.482 4.286 7.151 632 HG21 THR 80 1HG2 THR 80 -2.228 3.044 7.381 633 HG22 THR 80 2HG2 THR 80 -3.522 2.770 8.573 634 HG23 THR 80 3HG2 THR 80 -2.713 1.384 7.803 635 H VAL 81 H VAL 81 -4.458 -0.468 4.667 636 HA VAL 81 HA VAL 81 -6.431 0.602 2.774 637 HB VAL 81 HB VAL 81 -4.564 -1.750 2.477 638 HG11 VAL 81 1HG1 VAL 81 -6.601 -2.671 1.757 639 HG12 VAL 81 2HG1 VAL 81 -7.146 -1.139 1.032 640 HG13 VAL 81 3HG1 VAL 81 -5.841 -2.075 0.262 641 HG21 VAL 81 1HG2 VAL 81 -5.097 0.465 0.491 642 HG22 VAL 81 2HG2 VAL 81 -3.900 0.642 1.796 643 HG23 VAL 81 3HG2 VAL 81 -3.710 -0.647 0.583 644 H HIS 82 H HIS 82 -8.484 -0.344 2.856 645 HA HIS 82 HA HIS 82 -8.784 -2.374 4.949 646 HB2 HIS 82 1HB HIS 82 -9.820 -0.670 6.022 647 HB3 HIS 82 2HB HIS 82 -10.142 0.222 4.549 648 HD1 HIS 82 1HD HIS 82 -11.415 -3.078 6.067 649 HD2 HIS 82 2HD HIS 82 -12.811 0.320 4.041 650 HE1 HIS 82 1HE HIS 82 -13.943 -3.359 5.856 651 H LEU 83 H LEU 83 -8.851 -4.197 3.636 652 HA LEU 83 HA LEU 83 -10.548 -4.124 1.290 653 HB2 LEU 83 1HB LEU 83 -8.637 -6.148 2.441 654 HB3 LEU 83 2HB LEU 83 -9.686 -6.511 1.085 655 HG LEU 83 HG LEU 83 -7.397 -4.554 1.217 656 HD11 LEU 83 1HD1 LEU 83 -8.050 -6.882 -0.609 657 HD12 LEU 83 2HD1 LEU 83 -6.648 -5.799 -0.786 658 HD13 LEU 83 3HD1 LEU 83 -6.801 -6.827 0.659 659 HD21 LEU 83 1HD2 LEU 83 -9.652 -4.617 -0.793 660 HD22 LEU 83 2HD2 LEU 83 -9.056 -3.241 0.166 661 HD23 LEU 83 3HD2 LEU 83 -8.057 -3.912 -1.146 662 H GLU 84 H GLU 84 -12.148 -5.945 0.949 663 HA GLU 84 HA GLU 84 -13.258 -6.849 3.472 664 HB2 GLU 84 1HB GLU 84 -14.357 -4.677 2.220 665 HB3 GLU 84 2HB GLU 84 -15.250 -5.961 1.430 666 HG2 GLU 84 1HG GLU 84 -16.404 -6.517 3.338 667 HG3 GLU 84 2HG GLU 84 -15.002 -6.317 4.370 668 H LYS 85 H LYS 85 -13.947 -8.976 3.397 669 HA LYS 85 HA LYS 85 -13.473 -10.380 0.939 670 HB2 LYS 85 1HB LYS 85 -14.493 -11.450 3.584 671 HB3 LYS 85 2HB LYS 85 -13.802 -12.373 2.265 672 HG2 LYS 85 1HG LYS 85 -11.633 -11.743 2.766 673 HG3 LYS 85 2HG LYS 85 -12.100 -10.131 3.271 674 HD2 LYS 85 1HD LYS 85 -12.640 -10.814 5.458 675 HD3 LYS 85 2HD LYS 85 -12.972 -12.466 4.977 676 HE2 LYS 85 1HE LYS 85 -10.446 -12.665 4.432 677 HE3 LYS 85 2HE LYS 85 -10.244 -11.136 5.264 678 HZ1 LYS 85 1HZ LYS 85 -10.878 -12.063 7.247 679 HZ2 LYS 85 2HZ LYS 85 -11.680 -13.314 6.568 680 HZ3 LYS 85 3HZ LYS 85 -10.047 -13.296 6.573 681 H ILE 86 H ILE 86 -14.952 -10.951 -0.575 682 HA ILE 86 HA ILE 86 -17.493 -9.868 -0.558 683 HB ILE 86 HB ILE 86 -16.194 -12.089 -2.112 684 HG12 ILE 86 1HG1 ILE 86 -15.695 -9.501 -2.286 685 HG13 ILE 86 2HG1 ILE 86 -15.757 -10.521 -3.710 686 HG21 ILE 86 1HG2 ILE 86 -18.276 -12.873 -2.491 687 HG22 ILE 86 2HG2 ILE 86 -19.061 -11.349 -2.014 688 HG23 ILE 86 3HG2 ILE 86 -18.344 -11.511 -3.635 689 HD11 ILE 86 1HD1 ILE 86 -17.693 -9.558 -4.487 690 HD12 ILE 86 2HD1 ILE 86 -18.388 -9.402 -2.856 691 HD13 ILE 86 3HD1 ILE 86 -17.197 -8.211 -3.434 692 H ASN 87 H ASN 87 -16.217 -12.685 1.067 693 HA ASN 87 HA ASN 87 -18.928 -13.251 1.936 694 HB2 ASN 87 1HB ASN 87 -17.576 -14.947 0.204 695 HB3 ASN 87 2HB ASN 87 -17.100 -15.612 1.754 696 HD21 ASN 87 1HD2 ASN 87 -18.697 -16.903 -0.170 697 HD22 ASN 87 2HD2 ASN 87 -20.271 -17.193 0.492 698 H LYS 88 H LYS 88 -18.742 -12.615 4.106 699 HA LYS 88 HA LYS 88 -16.236 -13.033 5.482 700 HB2 LYS 88 1HB LYS 88 -18.793 -11.849 6.584 701 HB3 LYS 88 2HB LYS 88 -17.167 -11.666 7.208 702 HG2 LYS 88 1HG LYS 88 -16.484 -10.431 5.174 703 HG3 LYS 88 2HG LYS 88 -18.060 -10.692 4.454 704 HD2 LYS 88 1HD LYS 88 -18.058 -9.421 7.169 705 HD3 LYS 88 2HD LYS 88 -17.402 -8.446 5.869 706 HE2 LYS 88 1HE LYS 88 -20.128 -9.823 5.748 707 HE3 LYS 88 2HE LYS 88 -19.900 -8.156 6.236 708 HZ1 LYS 88 1HZ LYS 88 -18.841 -7.776 4.078 709 HZ2 LYS 88 2HZ LYS 88 -19.192 -9.306 3.628 710 HZ3 LYS 88 3HZ LYS 88 -20.398 -8.247 3.933 711 H MET 89 H MET 89 -16.738 -15.491 4.904 712 HA MET 89 HA MET 89 -17.941 -16.544 7.333 713 HB2 MET 89 1HB MET 89 -18.316 -17.650 4.493 714 HB3 MET 89 2HB MET 89 -18.949 -18.395 5.948 715 HG2 MET 89 1HG MET 89 -19.689 -15.528 5.651 716 HG3 MET 89 2HG MET 89 -20.318 -16.556 4.378 717 HE1 MET 89 1HE MET 89 -21.823 -17.987 4.367 718 HE2 MET 89 2HE MET 89 -22.577 -18.920 5.683 719 HE3 MET 89 3HE MET 89 -23.213 -17.314 5.253 720 H GLU 90 H GLU 90 -15.857 -17.118 4.436 721 HA GLU 90 HA GLU 90 -14.647 -19.378 5.678 722 HB2 GLU 90 1HB GLU 90 -13.293 -19.502 3.645 723 HB3 GLU 90 2HB GLU 90 -14.967 -19.219 3.210 724 HG2 GLU 90 1HG GLU 90 -13.318 -16.758 3.636 725 HG3 GLU 90 2HG GLU 90 -12.868 -17.734 2.252 726 H TRP 91 H TRP 91 -12.026 -19.359 5.523 727 HA TRP 91 HA TRP 91 -11.171 -16.870 6.839 728 HB2 TRP 91 1HB TRP 91 -10.973 -18.199 8.629 729 HB3 TRP 91 2HB TRP 91 -10.981 -19.675 7.685 730 HD1 TRP 91 HD TRP 91 -8.615 -20.797 7.225 731 HE1 TRP 91 1HE TRP 91 -6.097 -20.307 7.846 732 HE3 TRP 91 3HE TRP 91 -9.414 -16.092 8.980 733 HZ2 TRP 91 2HZ TRP 91 -4.753 -18.058 8.976 734 HZ3 TRP 91 3HZ TRP 91 -7.445 -14.817 9.823 735 HH2 TRP 91 HH TRP 91 -5.177 -15.727 9.840 736 H TRP 92 H TRP 92 -9.378 -15.891 5.932 737 HA TRP 92 HA TRP 92 -8.425 -16.951 3.458 738 HB2 TRP 92 1HB TRP 92 -7.836 -14.488 5.082 739 HB3 TRP 92 2HB TRP 92 -6.877 -14.903 3.675 740 HD1 TRP 92 HD TRP 92 -10.720 -15.403 3.745 741 HE1 TRP 92 1HE TRP 92 -11.903 -13.871 1.951 742 HE3 TRP 92 3HE TRP 92 -6.533 -12.856 2.389 743 HZ2 TRP 92 2HZ TRP 92 -10.976 -11.813 0.206 744 HZ3 TRP 92 3HZ TRP 92 -6.759 -11.101 0.633 745 HH2 TRP 92 HH TRP 92 -8.885 -10.565 -0.448 746 H ASN 93 H ASN 93 -6.225 -17.628 3.017 747 HA ASN 93 HA ASN 93 -5.002 -18.757 5.387 748 HB2 ASN 93 1HB ASN 93 -5.572 -19.963 3.027 749 HB3 ASN 93 2HB ASN 93 -3.998 -19.327 2.592 750 HD21 ASN 93 1HD2 ASN 93 -4.287 -21.963 2.581 751 HD22 ASN 93 2HD2 ASN 93 -3.481 -22.728 3.910 752 H ARG 94 H ARG 94 -4.823 -16.051 3.327 753 HA ARG 94 HA ARG 94 -2.370 -15.258 4.416 754 HB2 ARG 94 1HB ARG 94 -1.018 -15.116 2.370 755 HB3 ARG 94 2HB ARG 94 -1.521 -16.779 2.599 756 HG2 ARG 94 1HG ARG 94 -3.354 -15.041 0.974 757 HG3 ARG 94 2HG ARG 94 -1.817 -15.453 0.240 758 HD2 ARG 94 1HD ARG 94 -3.952 -17.385 1.250 759 HD3 ARG 94 2HD ARG 94 -3.421 -17.164 -0.405 760 HE ARG 94 HE ARG 94 -1.109 -17.861 1.049 761 HH11 ARG 94 2HH2 ARG 94 -4.223 -19.325 0.309 762 HH12 ARG 94 1HH2 ARG 94 -3.623 -20.948 0.390 763 HH21 ARG 94 2HH1 ARG 94 -0.317 -20.002 1.156 764 HH22 ARG 94 1HH1 ARG 94 -1.387 -21.336 0.875 765 H LEU 95 H LEU 95 -1.689 -13.348 2.274 766 HA LEU 95 HA LEU 95 -4.002 -11.594 2.576 767 HB2 LEU 95 1HB LEU 95 -1.809 -10.864 3.425 768 HB3 LEU 95 2HB LEU 95 -1.143 -10.986 1.808 769 HG LEU 95 HG LEU 95 -1.788 -8.667 2.651 770 HD11 LEU 95 1HD1 LEU 95 -3.111 -9.410 0.040 771 HD12 LEU 95 2HD1 LEU 95 -2.291 -7.894 0.485 772 HD13 LEU 95 3HD1 LEU 95 -1.343 -9.382 0.248 773 HD21 LEU 95 1HD2 LEU 95 -3.926 -8.039 3.007 774 HD22 LEU 95 2HD2 LEU 95 -4.575 -9.119 1.750 775 HD23 LEU 95 3HD2 LEU 95 -4.146 -9.772 3.349 776 H VAL 96 H VAL 96 -1.617 -12.723 0.085 777 HA VAL 96 HA VAL 96 -3.751 -12.342 -1.888 778 HB VAL 96 HB VAL 96 -1.824 -11.701 -3.459 779 HG11 VAL 96 1HG1 VAL 96 -1.998 -9.369 -1.761 780 HG12 VAL 96 2HG1 VAL 96 -2.769 -9.684 -3.334 781 HG13 VAL 96 3HG1 VAL 96 -3.572 -10.198 -1.831 782 HG21 VAL 96 1HG2 VAL 96 -0.102 -12.322 -1.625 783 HG22 VAL 96 2HG2 VAL 96 0.175 -10.852 -2.590 784 HG23 VAL 96 3HG2 VAL 96 -0.481 -10.724 -0.940 785 H THR 97 H THR 97 -3.907 -13.970 -3.447 786 HA THR 97 HA THR 97 -3.111 -16.499 -2.793 787 HB THR 97 HB THR 97 -3.787 -17.030 -5.109 788 HG1 THR 97 1HG THR 97 -3.624 -14.118 -5.419 789 HG21 THR 97 1HG2 THR 97 -5.570 -14.776 -5.106 790 HG22 THR 97 2HG2 THR 97 -5.931 -16.440 -4.589 791 HG23 THR 97 3HG2 THR 97 -5.331 -15.252 -3.408 792 H SER 98 H SER 98 -1.260 -13.989 -4.515 793 HA SER 98 HA SER 98 1.021 -15.756 -4.263 794 HB2 SER 98 1HB SER 98 1.792 -14.936 -6.574 795 HB3 SER 98 2HB SER 98 0.501 -16.121 -6.555 796 HG SER 98 HG SER 98 -0.812 -14.710 -7.484 797 H ASP 99 H ASP 99 2.821 -14.665 -3.478 798 HA ASP 99 HA ASP 99 2.522 -12.126 -2.496 799 HB2 ASP 99 1HB ASP 99 4.940 -12.213 -2.052 800 HB3 ASP 99 2HB ASP 99 4.214 -13.770 -1.708 801 HA PRO 100 HA PRO 100 3.603 -9.630 -5.936 802 HB2 PRO 100 1HB PRO 100 4.638 -7.400 -4.742 803 HB3 PRO 100 2HB PRO 100 2.917 -7.703 -4.877 804 HG2 PRO 100 1HG PRO 100 4.660 -7.940 -2.501 805 HG3 PRO 100 2HG PRO 100 2.913 -7.820 -2.573 806 HD2 PRO 100 1HD PRO 100 4.453 -10.192 -2.092 807 HD3 PRO 100 2HD PRO 100 2.714 -10.092 -2.280 808 H GLU 101 H GLU 101 6.247 -8.964 -3.687 809 HA GLU 101 HA GLU 101 8.007 -9.604 -5.917 810 HB2 GLU 101 1HB GLU 101 8.287 -7.751 -3.533 811 HB3 GLU 101 2HB GLU 101 9.707 -8.308 -4.396 812 HG2 GLU 101 1HG GLU 101 7.783 -7.469 -6.368 813 HG3 GLU 101 2HG GLU 101 7.855 -6.216 -5.144 814 H ILE 102 H ILE 102 8.351 -9.562 -2.296 815 HA ILE 102 HA ILE 102 9.555 -12.228 -2.536 816 HB ILE 102 HB ILE 102 9.939 -10.165 -0.365 817 HG12 ILE 102 1HG1 ILE 102 11.916 -10.882 -2.538 818 HG13 ILE 102 2HG1 ILE 102 10.794 -9.544 -2.694 819 HG21 ILE 102 1HG2 ILE 102 11.325 -12.798 -0.935 820 HG22 ILE 102 2HG2 ILE 102 11.857 -11.600 0.269 821 HG23 ILE 102 3HG2 ILE 102 10.282 -12.409 0.454 822 HD11 ILE 102 1HD1 ILE 102 11.870 -8.262 -1.101 823 HD12 ILE 102 2HD1 ILE 102 12.337 -9.677 -0.127 824 HD13 ILE 102 3HD1 ILE 102 13.255 -9.265 -1.596 825 H ASN 103 H ASN 103 9.133 -13.727 -0.679 826 HA ASN 103 HA ASN 103 6.405 -13.284 0.244 827 HB2 ASN 103 1HB ASN 103 6.572 -15.915 0.565 828 HB3 ASN 103 2HB ASN 103 6.290 -15.263 -1.037 829 HD21 ASN 103 1HD2 ASN 103 7.872 -15.306 -2.586 830 HD22 ASN 103 2HD2 ASN 103 9.334 -16.225 -2.448 831 H THR 104 H THR 104 9.580 -14.892 1.032 832 HA THR 104 HA THR 104 9.089 -14.246 3.862 833 HB THR 104 HB THR 104 10.247 -16.453 4.345 834 HG1 THR 104 1HG THR 104 9.719 -16.781 1.481 835 HG21 THR 104 1HG2 THR 104 7.775 -16.578 2.541 836 HG22 THR 104 2HG2 THR 104 8.410 -17.966 3.456 837 HG23 THR 104 3HG2 THR 104 7.786 -16.541 4.320 838 H LYS 105 H LYS 105 11.434 -14.790 5.020 839 HA LYS 105 HA LYS 105 13.328 -13.694 5.439 840 HB2 LYS 105 1HB LYS 105 13.872 -15.660 3.857 841 HB3 LYS 105 2HB LYS 105 14.132 -14.440 2.627 842 HG2 LYS 105 1HG LYS 105 15.938 -13.435 3.826 843 HG3 LYS 105 2HG LYS 105 15.475 -14.188 5.339 844 HD2 LYS 105 1HD LYS 105 16.178 -16.387 4.558 845 HD3 LYS 105 2HD LYS 105 16.391 -15.803 2.919 846 HE2 LYS 105 1HE LYS 105 18.320 -14.496 3.511 847 HE3 LYS 105 2HE LYS 105 17.968 -14.597 5.225 848 HZ1 LYS 105 1HZ LYS 105 19.726 -16.116 4.356 849 HZ2 LYS 105 2HZ LYS 105 18.565 -16.838 5.249 850 HZ3 LYS 105 3HZ LYS 105 18.550 -16.980 3.622 851 H LYS 106 H LYS 106 12.681 -11.545 5.729 852 HA LYS 106 HA LYS 106 12.051 -9.809 3.653 853 HB2 LYS 106 1HB LYS 106 13.092 -9.300 6.452 854 HB3 LYS 106 2HB LYS 106 12.535 -8.034 5.377 855 HG2 LYS 106 1HG LYS 106 10.332 -9.340 5.154 856 HG3 LYS 106 2HG LYS 106 10.905 -10.383 6.441 857 HD2 LYS 106 1HD LYS 106 11.348 -7.963 7.619 858 HD3 LYS 106 2HD LYS 106 10.019 -7.519 6.566 859 HE2 LYS 106 1HE LYS 106 8.566 -8.454 8.033 860 HE3 LYS 106 2HE LYS 106 9.286 -10.022 7.730 861 HZ1 LYS 106 1HZ LYS 106 10.183 -8.072 9.735 862 HZ2 LYS 106 2HZ LYS 106 9.439 -9.495 10.028 863 HZ3 LYS 106 3HZ LYS 106 10.951 -9.476 9.412 864 H ILE 107 H ILE 107 13.499 -7.629 3.448 865 HA ILE 107 HA ILE 107 16.056 -8.629 2.452 866 HB ILE 107 HB ILE 107 14.450 -6.151 1.827 867 HG12 ILE 107 1HG1 ILE 107 13.513 -8.195 0.885 868 HG13 ILE 107 2HG1 ILE 107 14.170 -7.169 -0.374 869 HG21 ILE 107 1HG2 ILE 107 17.188 -7.005 0.865 870 HG22 ILE 107 2HG2 ILE 107 16.174 -5.809 0.024 871 HG23 ILE 107 3HG2 ILE 107 16.730 -5.493 1.685 872 HD11 ILE 107 1HD1 ILE 107 14.992 -9.875 0.453 873 HD12 ILE 107 2HD1 ILE 107 15.300 -9.015 -1.074 874 HD13 ILE 107 3HD1 ILE 107 16.365 -8.749 0.327 875 H ASN 108 H ASN 108 14.778 -5.603 4.018 876 HA ASN 108 HA ASN 108 17.356 -4.994 4.987 877 HB2 ASN 108 1HB ASN 108 16.282 -3.055 6.002 878 HB3 ASN 108 2HB ASN 108 15.527 -3.301 4.440 879 HD21 ASN 108 1HD2 ASN 108 13.418 -3.294 4.368 880 HD22 ASN 108 2HD2 ASN 108 12.320 -3.610 5.670 881 HA PRO 109 HA PRO 109 17.006 -6.998 8.872 882 HB2 PRO 109 1HB PRO 109 18.563 -5.443 10.492 883 HB3 PRO 109 2HB PRO 109 19.221 -6.624 9.378 884 HG2 PRO 109 1HG PRO 109 19.170 -3.678 9.140 885 HG3 PRO 109 2HG PRO 109 20.171 -4.832 8.280 886 HD2 PRO 109 1HD PRO 109 17.864 -3.465 7.260 887 HD3 PRO 109 2HD PRO 109 18.796 -4.704 6.442 888 H GLU 110 H GLU 110 16.655 -3.507 9.270 889 HA GLU 110 HA GLU 110 14.079 -3.675 10.155 890 HB2 GLU 110 1HB GLU 110 16.043 -4.311 12.253 891 HB3 GLU 110 2HB GLU 110 15.032 -2.949 12.693 892 HG2 GLU 110 1HG GLU 110 13.583 -5.250 11.455 893 HG3 GLU 110 2HG GLU 110 14.304 -5.583 13.018 894 H ASN 111 H ASN 111 13.384 -1.666 9.577 895 HA ASN 111 HA ASN 111 15.224 0.527 10.137 896 HB2 ASN 111 1HB ASN 111 14.207 -0.326 7.624 897 HB3 ASN 111 2HB ASN 111 13.252 1.088 8.022 898 HD21 ASN 111 1HD2 ASN 111 14.027 2.780 7.031 899 HD22 ASN 111 2HD2 ASN 111 15.688 3.253 6.896 900 H SER 112 H SER 112 14.245 1.363 12.034 901 HA SER 112 HA SER 112 11.471 2.171 11.702 902 HB2 SER 112 1HB SER 112 12.458 0.215 13.563 903 HB3 SER 112 2HB SER 112 12.000 1.630 14.490 904 HG SER 112 HG SER 112 10.245 0.045 14.094 905 H LYS 113 H LYS 113 10.896 3.903 13.481 906 HA LYS 113 HA LYS 113 13.211 5.378 14.399 907 HB2 LYS 113 1HB LYS 113 11.567 6.200 12.076 908 HB3 LYS 113 2HB LYS 113 11.835 7.446 13.279 909 HG2 LYS 113 1HG LYS 113 14.213 5.788 12.465 910 HG3 LYS 113 2HG LYS 113 13.606 6.943 11.296 911 HD2 LYS 113 1HD LYS 113 13.618 8.427 13.667 912 HD3 LYS 113 2HD LYS 113 15.043 7.422 13.838 913 HE2 LYS 113 1HE LYS 113 16.093 8.982 12.545 914 HE3 LYS 113 2HE LYS 113 15.263 8.237 11.194 915 HZ1 LYS 113 1HZ LYS 113 14.605 10.387 11.023 916 HZ2 LYS 113 2HZ LYS 113 13.373 9.813 11.929 917 HZ3 LYS 113 3HZ LYS 113 14.577 10.665 12.632 918 H LEU 114 H LEU 114 12.653 6.960 16.047 919 HA LEU 114 HA LEU 114 10.041 6.340 17.227 920 HB2 LEU 114 1HB LEU 114 12.559 7.364 18.544 921 HB3 LEU 114 2HB LEU 114 11.049 6.994 19.352 922 HG LEU 114 HG LEU 114 12.078 4.734 17.793 923 HD11 LEU 114 1HD1 LEU 114 13.943 6.226 19.479 924 HD12 LEU 114 2HD1 LEU 114 13.763 4.525 19.970 925 HD13 LEU 114 3HD1 LEU 114 14.241 4.924 18.302 926 HD21 LEU 114 1HD2 LEU 114 10.273 4.404 19.314 927 HD22 LEU 114 2HD2 LEU 114 11.698 3.580 19.991 928 HD23 LEU 114 3HD2 LEU 114 11.179 5.149 20.653 929 H SER 115 H SER 115 10.695 8.300 15.002 930 HA SER 115 HA SER 115 10.671 10.857 16.115 931 HB2 SER 115 1HB SER 115 10.885 9.743 13.556 932 HB3 SER 115 2HB SER 115 9.367 10.616 13.480 933 HG SER 115 HG SER 115 11.303 11.897 12.907 934 H ASP 116 H ASP 116 8.994 10.588 17.821 935 HA ASP 116 HA ASP 116 6.315 10.665 16.672 936 HB2 ASP 116 1HB ASP 116 7.430 9.131 18.832 937 HB3 ASP 116 2HB ASP 116 6.317 10.279 19.549 938 H LEU 117 H LEU 117 6.290 12.990 16.364 939 HA LEU 117 HA LEU 117 7.191 14.766 18.368 940 HB2 LEU 117 1HB LEU 117 5.431 15.149 15.944 941 HB3 LEU 117 2HB LEU 117 5.996 16.458 16.964 942 HG LEU 117 HG LEU 117 8.292 14.956 16.232 943 HD11 LEU 117 1HD1 LEU 117 7.226 15.825 13.641 944 HD12 LEU 117 2HD1 LEU 117 8.142 14.364 14.081 945 HD13 LEU 117 3HD1 LEU 117 6.381 14.421 14.335 946 HD21 LEU 117 1HD2 LEU 117 7.639 17.556 16.574 947 HD22 LEU 117 2HD2 LEU 117 9.131 16.998 15.781 948 HD23 LEU 117 3HD2 LEU 117 7.729 17.483 14.798 949 H ASP 118 H ASP 118 5.486 16.576 19.121 950 HA ASP 118 HA ASP 118 3.251 15.062 20.227 951 HB2 ASP 118 1HB ASP 118 5.342 16.550 21.526 952 HB3 ASP 118 2HB ASP 118 3.858 17.452 21.757 953 H SER 119 H SER 119 1.409 16.718 20.964 954 HA SER 119 HA SER 119 1.382 19.045 19.245 955 HB2 SER 119 1HB SER 119 -0.956 18.495 18.498 956 HB3 SER 119 2HB SER 119 0.254 17.390 17.877 957 HG SER 119 HG SER 119 -1.742 16.953 19.881 958 H GLU 120 H GLU 120 1.262 20.591 20.863 959 HA GLU 120 HA GLU 120 -0.885 20.192 22.798 960 HB2 GLU 120 1HB GLU 120 1.185 19.958 24.010 961 HB3 GLU 120 2HB GLU 120 1.899 21.345 23.211 962 HG2 GLU 120 1HG GLU 120 0.987 22.792 24.710 963 HG3 GLU 120 2HG GLU 120 -0.611 22.104 24.509 964 H THR 121 H THR 121 -2.498 21.473 21.918 965 HA THR 121 HA THR 121 -1.725 24.180 21.076 966 HB THR 121 HB THR 121 -2.905 22.585 19.459 967 HG1 THR 121 1HG THR 121 -3.084 24.929 19.307 968 HG21 THR 121 1HG2 THR 121 -4.520 21.826 21.483 969 HG22 THR 121 2HG2 THR 121 -5.449 23.247 20.948 970 HG23 THR 121 3HG2 THR 121 -5.125 21.916 19.812 971 H ARG 122 H ARG 122 -3.175 25.979 21.645 972 HA ARG 122 HA ARG 122 -4.482 25.440 24.188 973 HB2 ARG 122 1HB ARG 122 -2.168 27.047 23.765 974 HB3 ARG 122 2HB ARG 122 -3.479 28.188 23.986 975 HG2 ARG 122 1HG ARG 122 -3.732 26.029 25.928 976 HG3 ARG 122 2HG ARG 122 -2.113 26.696 26.002 977 HD2 ARG 122 1HD ARG 122 -3.626 29.008 25.830 978 HD3 ARG 122 2HD ARG 122 -4.715 27.962 26.719 979 HE ARG 122 HE ARG 122 -2.205 27.626 27.940 980 HH11 ARG 122 2HH2 ARG 122 -4.428 30.292 27.362 981 HH12 ARG 122 1HH2 ARG 122 -3.938 31.174 28.770 982 HH21 ARG 122 2HH1 ARG 122 -1.558 28.789 29.798 983 HH22 ARG 122 1HH1 ARG 122 -2.295 30.313 30.165 984 H SER 123 H SER 123 -5.920 27.557 24.770 985 HA SER 123 HA SER 123 -7.004 28.678 22.336 986 HB2 SER 123 1HB SER 123 -8.242 26.487 23.359 987 HB3 SER 123 2HB SER 123 -9.017 27.715 24.339 988 HG SER 123 HG SER 123 -9.037 28.673 21.832 989 H MET 124 H MET 124 -8.717 30.454 22.959 990 HA MET 124 HA MET 124 -7.966 31.602 25.530 991 HB2 MET 124 1HB MET 124 -7.072 32.577 23.112 992 HB3 MET 124 2HB MET 124 -8.586 33.450 23.235 993 HG2 MET 124 1HG MET 124 -7.116 33.477 25.787 994 HG3 MET 124 2HG MET 124 -6.151 34.139 24.483 995 HE1 MET 124 1HE MET 124 -6.908 37.478 24.977 996 HE2 MET 124 2HE MET 124 -7.125 36.739 26.582 997 HE3 MET 124 3HE MET 124 -5.911 36.083 25.457 998 H VAL 125 H VAL 125 -9.573 33.380 26.233 999 HA VAL 125 HA VAL 125 -12.255 32.691 25.251 1000 HB VAL 125 HB VAL 125 -11.487 31.799 27.551 1001 HG11 VAL 125 1HG1 VAL 125 -12.406 34.325 28.775 1002 HG12 VAL 125 2HG1 VAL 125 -11.122 33.200 29.281 1003 HG13 VAL 125 3HG1 VAL 125 -10.801 34.406 28.011 1004 HG21 VAL 125 1HG2 VAL 125 -13.678 31.421 27.700 1005 HG22 VAL 125 2HG2 VAL 125 -13.932 33.086 28.274 1006 HG23 VAL 125 3HG2 VAL 125 -13.991 32.727 26.531 1007 H SER 126 H SER 126 -13.381 34.732 27.146 1008 HA SER 126 HA SER 126 -12.216 37.184 26.758 1009 HB2 SER 126 1HB SER 126 -13.525 38.173 24.942 1010 HB3 SER 126 2HB SER 126 -12.644 36.784 24.337 1011 HG SER 126 HG SER 126 -15.412 36.716 25.192 1012 H GLY 127 H GLY 127 -13.438 38.813 27.860 1013 HA2 GLY 127 1HA GLY 127 -16.091 37.949 28.838 1014 HA3 GLY 127 2HA GLY 127 -14.865 38.580 29.919 1015 HA PRO 128 HA PRO 128 -17.114 41.975 27.518 1016 HB2 PRO 128 1HB PRO 128 -19.692 42.055 28.421 1017 HB3 PRO 128 2HB PRO 128 -19.232 41.312 26.903 1018 HG2 PRO 128 1HG PRO 128 -19.975 40.013 29.452 1019 HG3 PRO 128 2HG PRO 128 -19.929 39.323 27.842 1020 HD2 PRO 128 1HD PRO 128 -17.999 38.940 29.929 1021 HD3 PRO 128 2HD PRO 128 -17.895 38.346 28.284 1022 H SER 129 H SER 129 -18.432 44.000 28.491 1023 HA SER 129 HA SER 129 -17.714 44.175 31.279 1024 HB2 SER 129 1HB SER 129 -16.463 46.267 30.989 1025 HB3 SER 129 2HB SER 129 -15.706 44.986 30.064 1026 HG SER 129 HG SER 129 -16.628 47.370 29.173 1027 H SER 130 H SER 130 -18.612 46.313 32.239 1028 HA SER 130 HA SER 130 -20.801 47.328 30.633 1029 HB2 SER 130 1HB SER 130 -21.136 45.498 32.799 1030 HB3 SER 130 2HB SER 130 -21.652 47.061 33.401 1031 HG SER 130 HG SER 130 -22.933 47.194 31.303 1032 H GLY 131 H GLY 131 -21.389 49.518 31.159 1033 HA2 GLY 131 1HA GLY 131 -19.479 51.274 31.881 1034 HA3 GLY 131 2HA GLY 131 -21.192 51.557 32.120 Start of MODEL 8 1 H1 GLY 1 H GLY 1 20.708 -25.440 13.848 2 HA2 GLY 1 1HA GLY 1 19.917 -26.220 11.599 3 HA3 GLY 1 2HA GLY 1 18.647 -25.783 12.725 4 H SER 2 H SER 2 17.082 -24.459 11.922 5 HA SER 2 HA SER 2 17.664 -23.068 9.481 6 HB2 SER 2 1HB SER 2 15.217 -23.872 11.001 7 HB3 SER 2 2HB SER 2 15.074 -22.410 10.046 8 HG SER 2 HG SER 2 16.326 -24.575 8.732 9 H SER 3 H SER 3 16.841 -20.720 9.251 10 HA SER 3 HA SER 3 17.286 -19.316 11.768 11 HB2 SER 3 1HB SER 3 19.095 -19.281 9.760 12 HB3 SER 3 2HB SER 3 18.048 -18.004 9.174 13 HG SER 3 HG SER 3 19.823 -18.006 11.329 14 H GLY 4 H GLY 4 16.095 -18.888 8.350 15 HA2 GLY 4 1HA GLY 4 13.555 -18.494 8.452 16 HA3 GLY 4 2HA GLY 4 14.013 -17.075 9.373 17 H SER 5 H SER 5 13.091 -18.004 6.358 18 HA SER 5 HA SER 5 14.364 -15.694 5.212 19 HB2 SER 5 1HB SER 5 14.742 -18.520 4.179 20 HB3 SER 5 2HB SER 5 14.801 -17.161 3.074 21 HG SER 5 HG SER 5 16.791 -18.076 4.588 22 H SER 6 H SER 6 13.267 -15.046 3.122 23 HA SER 6 HA SER 6 11.513 -14.689 1.894 24 HB2 SER 6 1HB SER 6 11.477 -17.548 2.249 25 HB3 SER 6 2HB SER 6 9.818 -16.986 2.297 26 HG SER 6 HG SER 6 10.431 -17.422 0.121 27 H GLY 7 H GLY 7 9.310 -13.854 2.074 28 HA2 GLY 7 1HA GLY 7 7.342 -14.228 3.768 29 HA3 GLY 7 2HA GLY 7 8.498 -13.497 4.863 30 HA PRO 8 HA PRO 8 6.281 -10.244 2.423 31 HB2 PRO 8 1HB PRO 8 4.431 -9.388 4.243 32 HB3 PRO 8 2HB PRO 8 4.060 -10.523 2.960 33 HG2 PRO 8 1HG PRO 8 4.433 -11.044 5.846 34 HG3 PRO 8 2HG PRO 8 3.660 -12.053 4.639 35 HD2 PRO 8 1HD PRO 8 6.278 -12.413 5.756 36 HD3 PRO 8 2HD PRO 8 5.550 -13.351 4.467 37 H ASN 9 H ASN 9 5.527 -7.868 3.630 38 HA ASN 9 HA ASN 9 7.795 -7.311 5.338 39 HB2 ASN 9 1HB ASN 9 7.383 -6.305 2.573 40 HB3 ASN 9 2HB ASN 9 7.628 -5.014 3.733 41 HD21 ASN 9 1HD2 ASN 9 9.524 -4.965 2.109 42 HD22 ASN 9 2HD2 ASN 9 10.985 -5.746 2.616 43 H TYR 10 H TYR 10 4.815 -6.121 3.638 44 HA TYR 10 HA TYR 10 4.333 -4.062 5.561 45 HB2 TYR 10 1HB TYR 10 2.154 -4.000 4.192 46 HB3 TYR 10 2HB TYR 10 3.597 -3.893 3.203 47 HD1 TYR 10 2HD TYR 10 0.841 -6.117 4.273 48 HD2 TYR 10 1HD TYR 10 4.185 -5.641 1.646 49 HE1 TYR 10 2HE TYR 10 0.068 -8.121 2.913 50 HE2 TYR 10 1HE TYR 10 3.400 -7.647 0.295 51 HH TYR 10 HH TYR 10 1.327 -8.817 -0.146 52 H ARG 11 H ARG 11 2.336 -3.926 6.889 53 HA ARG 11 HA ARG 11 1.840 -6.528 8.045 54 HB2 ARG 11 1HB ARG 11 1.080 -5.320 10.025 55 HB3 ARG 11 2HB ARG 11 2.586 -4.592 9.502 56 HG2 ARG 11 1HG ARG 11 1.308 -2.800 8.311 57 HG3 ARG 11 2HG ARG 11 -0.199 -3.529 8.829 58 HD2 ARG 11 1HD ARG 11 -0.082 -2.373 10.777 59 HD3 ARG 11 2HD ARG 11 1.392 -3.225 11.191 60 HE ARG 11 HE ARG 11 2.207 -1.253 9.382 61 HH11 ARG 11 2HH2 ARG 11 0.542 -1.289 12.482 62 HH12 ARG 11 1HH2 ARG 11 1.130 0.268 12.960 63 HH21 ARG 11 2HH1 ARG 11 2.982 0.802 10.012 64 HH22 ARG 11 1HH1 ARG 11 2.527 1.466 11.546 65 H TRP 12 H TRP 12 -0.413 -7.168 8.601 66 HA TRP 12 HA TRP 12 -2.607 -5.646 7.659 67 HB2 TRP 12 1HB TRP 12 -3.323 -6.940 5.806 68 HB3 TRP 12 2HB TRP 12 -1.689 -6.392 5.487 69 HD1 TRP 12 HD TRP 12 0.248 -8.317 5.411 70 HE1 TRP 12 1HE TRP 12 0.238 -10.937 5.098 71 HE3 TRP 12 3HE TRP 12 -4.699 -8.945 6.408 72 HZ2 TRP 12 2HZ TRP 12 -1.792 -12.934 5.298 73 HZ3 TRP 12 3HZ TRP 12 -5.615 -11.262 6.328 74 HH2 TRP 12 HH TRP 12 -4.248 -13.217 5.796 75 H THR 13 H THR 13 -4.613 -6.656 8.354 76 HA THR 13 HA THR 13 -4.308 -9.193 9.780 77 HB THR 13 HB THR 13 -5.259 -8.230 11.814 78 HG1 THR 13 1HG THR 13 -5.910 -5.952 11.690 79 HG21 THR 13 1HG2 THR 13 -3.649 -6.442 12.413 80 HG22 THR 13 2HG2 THR 13 -2.801 -7.733 11.528 81 HG23 THR 13 3HG2 THR 13 -3.234 -6.220 10.697 82 H GLN 14 H GLN 14 -6.839 -9.358 10.893 83 HA GLN 14 HA GLN 14 -8.879 -8.544 9.245 84 HB2 GLN 14 1HB GLN 14 -9.388 -10.524 7.913 85 HB3 GLN 14 2HB GLN 14 -7.766 -9.982 7.531 86 HG2 GLN 14 1HG GLN 14 -6.900 -11.978 8.163 87 HG3 GLN 14 2HG GLN 14 -7.599 -11.816 9.762 88 HE21 GLN 14 1HE2 GLN 14 -7.347 -13.930 7.472 89 HE22 GLN 14 2HE2 GLN 14 -8.899 -14.700 7.448 90 H THR 15 H THR 15 -10.977 -9.567 9.865 91 HA THR 15 HA THR 15 -10.726 -11.150 12.337 92 HB THR 15 HB THR 15 -11.246 -8.824 12.934 93 HG1 THR 15 1HG THR 15 -12.662 -9.955 14.211 94 HG21 THR 15 1HG2 THR 15 -13.677 -9.097 11.093 95 HG22 THR 15 2HG2 THR 15 -13.223 -7.674 12.060 96 HG23 THR 15 3HG2 THR 15 -12.227 -8.158 10.667 97 H LEU 16 H LEU 16 -10.850 -12.730 10.302 98 HA LEU 16 HA LEU 16 -12.081 -14.070 9.000 99 HB2 LEU 16 1HB LEU 16 -13.507 -14.150 11.655 100 HB3 LEU 16 2HB LEU 16 -13.879 -15.251 10.344 101 HG LEU 16 HG LEU 16 -12.122 -15.790 12.312 102 HD11 LEU 16 1HD1 LEU 16 -12.954 -16.977 9.937 103 HD12 LEU 16 2HD1 LEU 16 -11.177 -17.012 9.849 104 HD13 LEU 16 3HD1 LEU 16 -12.013 -17.738 11.243 105 HD21 LEU 16 1HD2 LEU 16 -10.440 -14.627 10.077 106 HD22 LEU 16 2HD2 LEU 16 -10.559 -14.034 11.751 107 HD23 LEU 16 3HD2 LEU 16 -9.822 -15.620 11.419 108 H ALA 17 H ALA 17 -12.740 -11.196 8.745 109 HA ALA 17 HA ALA 17 -15.162 -11.541 7.283 110 HB1 ALA 17 1HB ALA 17 -15.318 -10.643 10.028 111 HB2 ALA 17 2HB ALA 17 -15.801 -9.322 8.936 112 HB3 ALA 17 3HB ALA 17 -16.631 -10.894 8.853 113 H GLU 18 H GLU 18 -13.494 -8.792 8.985 114 HA GLU 18 HA GLU 18 -13.261 -7.531 6.393 115 HB2 GLU 18 1HB GLU 18 -12.810 -6.465 9.214 116 HB3 GLU 18 2HB GLU 18 -12.610 -5.507 7.761 117 HG2 GLU 18 1HG GLU 18 -14.959 -5.742 7.175 118 HG3 GLU 18 2HG GLU 18 -15.209 -6.965 8.405 119 H LEU 19 H LEU 19 -11.148 -6.364 5.881 120 HA LEU 19 HA LEU 19 -8.871 -7.817 7.027 121 HB2 LEU 19 1HB LEU 19 -9.828 -7.751 4.268 122 HB3 LEU 19 2HB LEU 19 -8.152 -7.260 4.416 123 HG LEU 19 HG LEU 19 -8.890 -9.720 5.898 124 HD11 LEU 19 1HD1 LEU 19 -8.689 -9.809 2.879 125 HD12 LEU 19 2HD1 LEU 19 -8.993 -11.161 3.996 126 HD13 LEU 19 3HD1 LEU 19 -10.221 -9.890 3.782 127 HD21 LEU 19 1HD2 LEU 19 -6.631 -9.281 5.998 128 HD22 LEU 19 2HD2 LEU 19 -6.712 -10.417 4.630 129 HD23 LEU 19 3HD2 LEU 19 -6.560 -8.670 4.328 130 H ASP 20 H ASP 20 -7.061 -6.575 7.487 131 HA ASP 20 HA ASP 20 -7.363 -3.752 6.819 132 HB2 ASP 20 1HB ASP 20 -6.773 -5.147 9.380 133 HB3 ASP 20 2HB ASP 20 -5.690 -3.813 9.037 134 H LEU 21 H LEU 21 -5.470 -2.751 5.959 135 HA LEU 21 HA LEU 21 -3.008 -4.326 6.020 136 HB2 LEU 21 1HB LEU 21 -3.764 -4.985 3.947 137 HB3 LEU 21 2HB LEU 21 -4.549 -3.454 3.613 138 HG LEU 21 HG LEU 21 -2.577 -3.863 2.192 139 HD11 LEU 21 1HD1 LEU 21 -1.525 -1.579 3.658 140 HD12 LEU 21 2HD1 LEU 21 -2.267 -1.664 2.041 141 HD13 LEU 21 3HD1 LEU 21 -3.296 -1.511 3.486 142 HD21 LEU 21 1HD2 LEU 21 -0.716 -4.738 3.016 143 HD22 LEU 21 2HD2 LEU 21 -0.449 -3.261 3.974 144 HD23 LEU 21 3HD2 LEU 21 -1.367 -4.619 4.668 145 H ALA 22 H ALA 22 -1.100 -3.076 6.038 146 HA ALA 22 HA ALA 22 -1.415 -0.193 5.852 147 HB1 ALA 22 1HB ALA 22 -0.790 0.285 8.038 148 HB2 ALA 22 2HB ALA 22 -1.783 -1.172 8.286 149 HB3 ALA 22 3HB ALA 22 -0.007 -1.296 8.273 150 H VAL 23 H VAL 23 0.331 0.701 4.834 151 HA VAL 23 HA VAL 23 2.800 -0.878 4.820 152 HB VAL 23 HB VAL 23 1.512 0.437 2.419 153 HG11 VAL 23 1HG1 VAL 23 3.320 -0.479 1.122 154 HG12 VAL 23 2HG1 VAL 23 4.020 0.445 2.472 155 HG13 VAL 23 3HG1 VAL 23 3.975 -1.333 2.539 156 HG21 VAL 23 1HG2 VAL 23 1.207 -2.224 3.577 157 HG22 VAL 23 2HG2 VAL 23 0.292 -1.433 2.271 158 HG23 VAL 23 3HG2 VAL 23 1.811 -2.286 1.903 159 HA PRO 24 HA PRO 24 3.926 3.213 6.052 160 HB2 PRO 24 1HB PRO 24 6.181 2.507 7.425 161 HB3 PRO 24 2HB PRO 24 4.593 2.576 8.162 162 HG2 PRO 24 1HG PRO 24 6.163 0.203 7.361 163 HG3 PRO 24 2HG PRO 24 4.801 0.299 8.460 164 HD2 PRO 24 1HD PRO 24 4.762 -0.663 5.758 165 HD3 PRO 24 2HD PRO 24 3.381 -0.459 6.818 166 H PHE 25 H PHE 25 5.385 4.805 5.369 167 HA PHE 25 HA PHE 25 7.354 3.731 3.482 168 HB2 PHE 25 1HB PHE 25 5.356 6.054 3.240 169 HB3 PHE 25 2HB PHE 25 6.710 5.880 2.141 170 HD1 PHE 25 1HD PHE 25 6.667 2.889 1.811 171 HD2 PHE 25 2HD PHE 25 3.534 5.751 1.796 172 HE1 PHE 25 1HE PHE 25 5.292 1.375 0.356 173 HE2 PHE 25 2HE PHE 25 2.159 4.237 0.341 174 HZ PHE 25 HZ PHE 25 3.054 2.068 -0.362 175 H ARG 26 H ARG 26 9.359 4.763 3.472 176 HA ARG 26 HA ARG 26 9.805 6.449 5.717 177 HB2 ARG 26 1HB ARG 26 11.428 4.866 3.808 178 HB3 ARG 26 2HB ARG 26 12.187 6.387 4.236 179 HG2 ARG 26 1HG ARG 26 11.031 5.025 6.585 180 HG3 ARG 26 2HG ARG 26 12.217 4.029 5.765 181 HD2 ARG 26 1HD ARG 26 13.861 5.927 5.855 182 HD3 ARG 26 2HD ARG 26 12.675 6.906 6.696 183 HE ARG 26 HE ARG 26 13.057 4.376 8.055 184 HH11 ARG 26 2HH2 ARG 26 14.534 7.533 7.568 185 HH12 ARG 26 1HH2 ARG 26 15.394 7.504 9.071 186 HH21 ARG 26 2HH1 ARG 26 14.192 4.337 10.038 187 HH22 ARG 26 1HH1 ARG 26 15.199 5.674 10.485 188 H VAL 27 H VAL 27 8.520 8.346 5.044 189 HA VAL 27 HA VAL 27 9.882 9.900 2.953 190 HB VAL 27 HB VAL 27 7.573 11.021 2.774 191 HG11 VAL 27 1HG1 VAL 27 6.782 8.896 1.359 192 HG12 VAL 27 2HG1 VAL 27 8.137 9.929 0.846 193 HG13 VAL 27 3HG1 VAL 27 8.458 8.388 1.676 194 HG21 VAL 27 1HG2 VAL 27 5.657 9.870 3.477 195 HG22 VAL 27 2HG2 VAL 27 6.552 8.358 3.763 196 HG23 VAL 27 3HG2 VAL 27 6.761 9.739 4.866 197 H SER 28 H SER 28 9.565 12.344 3.302 198 HA SER 28 HA SER 28 9.792 12.819 6.170 199 HB2 SER 28 1HB SER 28 11.545 13.467 3.999 200 HB3 SER 28 2HB SER 28 10.883 14.982 4.578 201 HG SER 28 HG SER 28 11.458 13.777 6.815 202 H PHE 29 H PHE 29 7.486 12.895 3.959 203 HA PHE 29 HA PHE 29 6.380 15.393 4.978 204 HB2 PHE 29 1HB PHE 29 5.477 15.621 2.506 205 HB3 PHE 29 2HB PHE 29 7.147 16.068 2.798 206 HD1 PHE 29 2HD PHE 29 5.250 12.933 2.032 207 HD2 PHE 29 1HD PHE 29 8.646 15.344 1.218 208 HE1 PHE 29 2HE PHE 29 5.995 11.294 0.282 209 HE2 PHE 29 1HE PHE 29 9.391 13.705 -0.531 210 HZ PHE 29 HZ PHE 29 8.056 11.700 -0.978 211 H ARG 30 H ARG 30 3.929 15.514 4.259 212 HA ARG 30 HA ARG 30 2.830 13.030 5.108 213 HB2 ARG 30 1HB ARG 30 1.873 15.845 4.734 214 HB3 ARG 30 2HB ARG 30 0.646 14.609 4.535 215 HG2 ARG 30 1HG ARG 30 0.475 14.479 6.791 216 HG3 ARG 30 2HG ARG 30 2.099 13.823 6.843 217 HD2 ARG 30 1HD ARG 30 3.074 15.886 7.381 218 HD3 ARG 30 2HD ARG 30 1.823 16.814 6.578 219 HE ARG 30 HE ARG 30 0.698 15.372 8.812 220 HH11 ARG 30 2HH2 ARG 30 2.699 18.164 8.052 221 HH12 ARG 30 1HH2 ARG 30 2.278 19.021 9.497 222 HH21 ARG 30 2HH1 ARG 30 0.141 16.501 10.719 223 HH22 ARG 30 1HH1 ARG 30 0.813 18.068 11.025 224 H LEU 31 H LEU 31 3.053 11.520 3.387 225 HA LEU 31 HA LEU 31 2.842 11.919 0.738 226 HB2 LEU 31 1HB LEU 31 2.136 9.641 2.533 227 HB3 LEU 31 2HB LEU 31 1.709 9.532 0.837 228 HG LEU 31 HG LEU 31 4.523 10.239 1.636 229 HD11 LEU 31 1HD1 LEU 31 3.232 7.849 2.433 230 HD12 LEU 31 2HD1 LEU 31 4.316 7.433 1.085 231 HD13 LEU 31 3HD1 LEU 31 4.962 8.257 2.525 232 HD21 LEU 31 1HD2 LEU 31 4.415 10.473 -0.627 233 HD22 LEU 31 2HD2 LEU 31 4.792 8.735 -0.539 234 HD23 LEU 31 3HD2 LEU 31 3.116 9.270 -0.809 235 H LYS 32 H LYS 32 1.336 12.603 -0.699 236 HA LYS 32 HA LYS 32 -1.300 13.176 0.354 237 HB2 LYS 32 1HB LYS 32 0.210 13.967 -2.136 238 HB3 LYS 32 2HB LYS 32 -1.512 14.254 -1.985 239 HG2 LYS 32 1HG LYS 32 -1.117 15.523 0.134 240 HG3 LYS 32 2HG LYS 32 0.604 15.229 -0.007 241 HD2 LYS 32 1HD LYS 32 0.869 16.922 -1.506 242 HD3 LYS 32 2HD LYS 32 -0.457 16.349 -2.499 243 HE2 LYS 32 1HE LYS 32 -1.992 17.354 -0.589 244 HE3 LYS 32 2HE LYS 32 -0.556 18.251 -0.137 245 HZ1 LYS 32 1HZ LYS 32 -1.778 18.256 -2.810 246 HZ2 LYS 32 2HZ LYS 32 -1.896 19.456 -1.708 247 HZ3 LYS 32 3HZ LYS 32 -0.449 19.102 -2.378 248 H GLY 33 H GLY 33 -3.217 12.716 -1.195 249 HA2 GLY 33 1HA GLY 33 -3.285 9.882 -1.618 250 HA3 GLY 33 2HA GLY 33 -4.572 11.040 -1.893 251 H LYS 34 H LYS 34 -1.811 12.266 -3.412 252 HA LYS 34 HA LYS 34 -2.567 10.966 -5.936 253 HB2 LYS 34 1HB LYS 34 -2.112 13.062 -7.068 254 HB3 LYS 34 2HB LYS 34 -3.330 13.296 -5.830 255 HG2 LYS 34 1HG LYS 34 -0.875 13.740 -4.493 256 HG3 LYS 34 2HG LYS 34 -0.661 14.498 -6.057 257 HD2 LYS 34 1HD LYS 34 -3.299 15.013 -4.750 258 HD3 LYS 34 2HD LYS 34 -1.914 15.697 -3.923 259 HE2 LYS 34 1HE LYS 34 -1.226 16.532 -6.356 260 HE3 LYS 34 2HE LYS 34 -2.921 16.276 -6.721 261 HZ1 LYS 34 1HZ LYS 34 -1.783 18.066 -4.702 262 HZ2 LYS 34 2HZ LYS 34 -2.738 18.453 -5.969 263 HZ3 LYS 34 3HZ LYS 34 -3.363 17.652 -4.691 264 H ASP 35 H ASP 35 -0.328 10.875 -3.560 265 HA ASP 35 HA ASP 35 1.893 10.779 -5.440 266 HB2 ASP 35 1HB ASP 35 1.623 11.405 -2.520 267 HB3 ASP 35 2HB ASP 35 3.065 10.521 -2.979 268 H VAL 36 H VAL 36 -0.453 8.818 -4.281 269 HA VAL 36 HA VAL 36 1.370 6.534 -4.008 270 HB VAL 36 HB VAL 36 0.699 6.511 -1.872 271 HG11 VAL 36 1HG1 VAL 36 -1.575 8.254 -2.797 272 HG12 VAL 36 2HG1 VAL 36 -1.618 7.502 -1.184 273 HG13 VAL 36 3HG1 VAL 36 -0.287 8.601 -1.619 274 HG21 VAL 36 1HG2 VAL 36 -1.754 5.404 -3.269 275 HG22 VAL 36 2HG2 VAL 36 -0.341 4.508 -2.662 276 HG23 VAL 36 3HG2 VAL 36 -1.472 5.268 -1.516 277 H VAL 37 H VAL 37 0.148 4.408 -4.495 278 HA VAL 37 HA VAL 37 -1.988 4.867 -6.436 279 HB VAL 37 HB VAL 37 0.561 3.314 -6.917 280 HG11 VAL 37 1HG1 VAL 37 -1.532 3.643 -9.030 281 HG12 VAL 37 2HG1 VAL 37 -0.335 2.348 -8.795 282 HG13 VAL 37 3HG1 VAL 37 -1.789 2.411 -7.771 283 HG21 VAL 37 1HG2 VAL 37 0.175 5.051 -9.032 284 HG22 VAL 37 2HG2 VAL 37 -0.357 6.008 -7.629 285 HG23 VAL 37 3HG2 VAL 37 1.279 5.307 -7.659 286 H VAL 38 H VAL 38 -3.627 3.909 -5.286 287 HA VAL 38 HA VAL 38 -3.091 1.162 -4.385 288 HB VAL 38 HB VAL 38 -4.775 3.347 -3.159 289 HG11 VAL 38 1HG1 VAL 38 -6.199 1.528 -2.888 290 HG12 VAL 38 2HG1 VAL 38 -4.858 0.364 -2.752 291 HG13 VAL 38 3HG1 VAL 38 -5.220 1.468 -1.403 292 HG21 VAL 38 1HG2 VAL 38 -3.325 2.422 -1.127 293 HG22 VAL 38 2HG2 VAL 38 -2.230 1.946 -2.447 294 HG23 VAL 38 3HG2 VAL 38 -2.694 3.653 -2.248 295 H ASP 39 H ASP 39 -3.910 -0.105 -5.997 296 HA ASP 39 HA ASP 39 -6.543 0.669 -6.978 297 HB2 ASP 39 1HB ASP 39 -4.129 -0.555 -8.251 298 HB3 ASP 39 2HB ASP 39 -5.661 -1.244 -8.750 299 H ILE 40 H ILE 40 -7.424 -0.456 -4.987 300 HA ILE 40 HA ILE 40 -6.865 -3.189 -4.540 301 HB ILE 40 HB ILE 40 -9.197 -1.504 -3.621 302 HG12 ILE 40 1HG1 ILE 40 -6.711 -2.051 -2.013 303 HG13 ILE 40 2HG1 ILE 40 -6.753 -0.718 -3.150 304 HG21 ILE 40 1HG2 ILE 40 -8.129 -3.772 -2.018 305 HG22 ILE 40 2HG2 ILE 40 -9.790 -3.152 -2.177 306 HG23 ILE 40 3HG2 ILE 40 -9.093 -4.170 -3.460 307 HD11 ILE 40 1HD1 ILE 40 -7.447 -0.140 -0.759 308 HD12 ILE 40 2HD1 ILE 40 -8.616 0.325 -2.018 309 HD13 ILE 40 3HD1 ILE 40 -8.904 -1.127 -1.029 310 H GLN 41 H GLN 41 -7.285 -4.714 -6.057 311 HA GLN 41 HA GLN 41 -9.629 -4.350 -7.697 312 HB2 GLN 41 1HB GLN 41 -7.885 -5.011 -9.080 313 HB3 GLN 41 2HB GLN 41 -7.124 -5.993 -7.845 314 HG2 GLN 41 1HG GLN 41 -8.779 -7.762 -8.113 315 HG3 GLN 41 2HG GLN 41 -9.783 -6.751 -9.134 316 HE21 GLN 41 1HE2 GLN 41 -9.144 -9.139 -10.075 317 HE22 GLN 41 2HE2 GLN 41 -7.970 -9.068 -11.347 318 H ARG 42 H ARG 42 -11.155 -6.207 -8.051 319 HA ARG 42 HA ARG 42 -12.193 -7.065 -5.686 320 HB2 ARG 42 1HB ARG 42 -13.426 -7.003 -7.859 321 HB3 ARG 42 2HB ARG 42 -12.467 -8.343 -8.455 322 HG2 ARG 42 1HG ARG 42 -14.314 -9.524 -7.691 323 HG3 ARG 42 2HG ARG 42 -13.347 -9.548 -6.230 324 HD2 ARG 42 1HD ARG 42 -14.898 -8.327 -5.099 325 HD3 ARG 42 2HD ARG 42 -14.894 -7.078 -6.328 326 HE ARG 42 HE ARG 42 -16.811 -9.272 -6.079 327 HH11 ARG 42 2HH2 ARG 42 -15.358 -6.975 -8.314 328 HH12 ARG 42 1HH2 ARG 42 -16.684 -7.024 -9.427 329 HH21 ARG 42 2HH1 ARG 42 -18.561 -9.338 -7.547 330 HH22 ARG 42 1HH1 ARG 42 -18.518 -8.377 -8.988 331 H ARG 43 H ARG 43 -10.124 -8.855 -8.075 332 HA ARG 43 HA ARG 43 -9.669 -10.806 -5.962 333 HB2 ARG 43 1HB ARG 43 -10.666 -11.269 -8.526 334 HB3 ARG 43 2HB ARG 43 -8.961 -11.614 -8.736 335 HG2 ARG 43 1HG ARG 43 -8.977 -13.332 -7.068 336 HG3 ARG 43 2HG ARG 43 -10.492 -12.778 -6.383 337 HD2 ARG 43 1HD ARG 43 -11.778 -13.826 -8.007 338 HD3 ARG 43 2HD ARG 43 -10.593 -13.568 -9.272 339 HE ARG 43 HE ARG 43 -9.737 -15.463 -7.190 340 HH11 ARG 43 2HH2 ARG 43 -11.350 -15.075 -10.293 341 HH12 ARG 43 1HH2 ARG 43 -11.094 -16.719 -10.776 342 HH21 ARG 43 2HH1 ARG 43 -9.400 -17.632 -7.826 343 HH22 ARG 43 1HH1 ARG 43 -9.978 -18.183 -9.363 344 H HIS 44 H HIS 44 -8.254 -8.236 -6.339 345 HA HIS 44 HA HIS 44 -5.620 -9.215 -6.225 346 HB2 HIS 44 1HB HIS 44 -6.332 -8.995 -8.796 347 HB3 HIS 44 2HB HIS 44 -5.889 -7.322 -8.518 348 HD1 HIS 44 1HD HIS 44 -3.350 -6.890 -7.699 349 HD2 HIS 44 2HD HIS 44 -4.206 -10.742 -9.122 350 HE1 HIS 44 1HE HIS 44 -1.099 -7.988 -8.189 351 H LEU 45 H LEU 45 -4.056 -7.401 -5.753 352 HA LEU 45 HA LEU 45 -5.363 -4.894 -5.080 353 HB2 LEU 45 1HB LEU 45 -5.606 -6.415 -3.122 354 HB3 LEU 45 2HB LEU 45 -3.859 -6.520 -3.026 355 HG LEU 45 HG LEU 45 -5.571 -4.060 -2.601 356 HD11 LEU 45 1HD1 LEU 45 -4.385 -6.071 -0.849 357 HD12 LEU 45 2HD1 LEU 45 -3.914 -4.411 -0.414 358 HD13 LEU 45 3HD1 LEU 45 -5.636 -4.849 -0.518 359 HD21 LEU 45 1HD2 LEU 45 -2.651 -4.321 -3.145 360 HD22 LEU 45 2HD2 LEU 45 -3.790 -3.019 -3.564 361 HD23 LEU 45 3HD2 LEU 45 -3.171 -3.159 -1.901 362 H ARG 46 H ARG 46 -4.060 -3.178 -5.539 363 HA ARG 46 HA ARG 46 -1.229 -3.780 -5.784 364 HB2 ARG 46 1HB ARG 46 -2.613 -3.590 -8.028 365 HB3 ARG 46 2HB ARG 46 -2.622 -1.870 -7.697 366 HG2 ARG 46 1HG ARG 46 -0.143 -1.839 -7.620 367 HG3 ARG 46 2HG ARG 46 -0.092 -3.576 -7.852 368 HD2 ARG 46 1HD ARG 46 -1.137 -1.506 -9.841 369 HD3 ARG 46 2HD ARG 46 0.315 -2.472 -10.005 370 HE ARG 46 HE ARG 46 -1.002 -4.370 -10.552 371 HH11 ARG 46 2HH2 ARG 46 -3.036 -1.669 -9.579 372 HH12 ARG 46 1HH2 ARG 46 -4.499 -2.399 -10.150 373 HH21 ARG 46 2HH1 ARG 46 -2.932 -5.334 -11.305 374 HH22 ARG 46 1HH1 ARG 46 -4.440 -4.498 -11.138 375 H VAL 47 H VAL 47 -0.355 -2.581 -4.105 376 HA VAL 47 HA VAL 47 -1.222 0.220 -3.930 377 HB VAL 47 HB VAL 47 -0.726 -1.803 -1.753 378 HG11 VAL 47 1HG1 VAL 47 -0.388 1.165 -1.683 379 HG12 VAL 47 2HG1 VAL 47 -1.187 0.385 -0.297 380 HG13 VAL 47 3HG1 VAL 47 0.457 -0.108 -0.771 381 HG21 VAL 47 1HG2 VAL 47 -3.032 -1.371 -2.854 382 HG22 VAL 47 2HG2 VAL 47 -2.926 -1.385 -1.077 383 HG23 VAL 47 3HG2 VAL 47 -3.006 0.163 -1.951 384 H GLY 48 H GLY 48 0.441 1.751 -3.438 385 HA2 GLY 48 1HA GLY 48 3.038 1.241 -2.730 386 HA3 GLY 48 2HA GLY 48 3.008 1.011 -4.467 387 H LEU 49 H LEU 49 4.582 2.969 -4.131 388 HA LEU 49 HA LEU 49 3.011 5.444 -4.026 389 HB2 LEU 49 1HB LEU 49 5.928 4.885 -3.495 390 HB3 LEU 49 2HB LEU 49 5.271 6.500 -3.664 391 HG LEU 49 HG LEU 49 4.456 4.478 -1.559 392 HD11 LEU 49 1HD1 LEU 49 6.622 5.179 -0.989 393 HD12 LEU 49 2HD1 LEU 49 6.309 6.858 -1.490 394 HD13 LEU 49 3HD1 LEU 49 5.538 6.209 -0.023 395 HD21 LEU 49 1HD2 LEU 49 3.462 7.241 -2.213 396 HD22 LEU 49 2HD2 LEU 49 2.542 5.758 -1.861 397 HD23 LEU 49 3HD2 LEU 49 3.390 6.611 -0.549 398 H LYS 50 H LYS 50 2.790 6.677 -5.837 399 HA LYS 50 HA LYS 50 3.134 5.742 -8.317 400 HB2 LYS 50 1HB LYS 50 2.257 8.078 -7.232 401 HB3 LYS 50 2HB LYS 50 3.707 8.637 -8.041 402 HG2 LYS 50 1HG LYS 50 2.936 7.986 -10.179 403 HG3 LYS 50 2HG LYS 50 1.824 6.797 -9.532 404 HD2 LYS 50 1HD LYS 50 0.865 9.155 -8.403 405 HD3 LYS 50 2HD LYS 50 1.430 9.706 -9.967 406 HE2 LYS 50 1HE LYS 50 -0.130 7.154 -10.002 407 HE3 LYS 50 2HE LYS 50 -1.039 8.580 -9.543 408 HZ1 LYS 50 1HZ LYS 50 -0.112 9.641 -11.562 409 HZ2 LYS 50 2HZ LYS 50 0.499 8.194 -12.011 410 HZ3 LYS 50 3HZ LYS 50 -1.116 8.389 -11.868 411 H GLY 51 H GLY 51 4.774 5.200 -9.663 412 HA2 GLY 51 1HA GLY 51 6.831 5.395 -10.660 413 HA3 GLY 51 2HA GLY 51 7.334 6.552 -9.444 414 H GLN 52 H GLN 52 6.654 5.041 -7.066 415 HA GLN 52 HA GLN 52 8.949 3.376 -7.025 416 HB2 GLN 52 1HB GLN 52 7.076 4.570 -5.077 417 HB3 GLN 52 2HB GLN 52 7.605 2.965 -4.614 418 HG2 GLN 52 1HG GLN 52 9.904 4.405 -5.609 419 HG3 GLN 52 2HG GLN 52 9.076 5.438 -4.461 420 HE21 GLN 52 1HE2 GLN 52 8.235 4.191 -2.469 421 HE22 GLN 52 2HE2 GLN 52 9.371 3.144 -1.686 422 HA PRO 53 HA PRO 53 7.038 -0.507 -7.403 423 HB2 PRO 53 1HB PRO 53 8.221 -2.092 -5.516 424 HB3 PRO 53 2HB PRO 53 8.991 -1.669 -7.032 425 HG2 PRO 53 1HG PRO 53 9.540 -0.628 -4.320 426 HG3 PRO 53 2HG PRO 53 10.549 -0.550 -5.751 427 HD2 PRO 53 1HD PRO 53 8.985 1.580 -4.635 428 HD3 PRO 53 2HD PRO 53 9.902 1.624 -6.128 429 HA PRO 54 HA PRO 54 3.653 -0.755 -4.838 430 HB2 PRO 54 1HB PRO 54 2.332 -2.847 -5.999 431 HB3 PRO 54 2HB PRO 54 2.231 -1.202 -6.593 432 HG2 PRO 54 1HG PRO 54 3.728 -3.489 -7.718 433 HG3 PRO 54 2HG PRO 54 3.268 -1.988 -8.497 434 HD2 PRO 54 1HD PRO 54 5.872 -2.686 -7.514 435 HD3 PRO 54 2HD PRO 54 5.384 -1.143 -8.187 436 H VAL 55 H VAL 55 4.019 -1.237 -2.762 437 HA VAL 55 HA VAL 55 5.431 -3.477 -1.987 438 HB VAL 55 HB VAL 55 3.286 -2.024 -0.429 439 HG11 VAL 55 1HG1 VAL 55 3.867 -3.737 0.977 440 HG12 VAL 55 2HG1 VAL 55 5.497 -3.908 0.281 441 HG13 VAL 55 3HG1 VAL 55 5.144 -2.571 1.401 442 HG21 VAL 55 1HG2 VAL 55 4.617 -0.262 -1.156 443 HG22 VAL 55 2HG2 VAL 55 5.386 -0.706 0.386 444 HG23 VAL 55 3HG2 VAL 55 6.102 -1.242 -1.153 445 H VAL 56 H VAL 56 1.920 -2.998 -2.578 446 HA VAL 56 HA VAL 56 1.546 -5.856 -2.025 447 HB VAL 56 HB VAL 56 -0.583 -3.733 -2.258 448 HG11 VAL 56 1HG1 VAL 56 -1.854 -5.375 -0.840 449 HG12 VAL 56 2HG1 VAL 56 -1.451 -5.961 -2.472 450 HG13 VAL 56 3HG1 VAL 56 -0.513 -6.522 -1.067 451 HG21 VAL 56 1HG2 VAL 56 -0.545 -3.408 0.109 452 HG22 VAL 56 2HG2 VAL 56 0.661 -4.697 0.333 453 HG23 VAL 56 3HG2 VAL 56 1.121 -3.180 -0.475 454 H ASP 57 H ASP 57 1.184 -7.212 -3.712 455 HA ASP 57 HA ASP 57 -0.245 -6.375 -5.968 456 HB2 ASP 57 1HB ASP 57 1.724 -5.286 -6.760 457 HB3 ASP 57 2HB ASP 57 2.779 -6.538 -6.135 458 H GLY 58 H GLY 58 -1.412 -8.324 -5.971 459 HA2 GLY 58 1HA GLY 58 -0.392 -10.676 -6.977 460 HA3 GLY 58 2HA GLY 58 -0.240 -10.818 -5.237 461 H GLU 59 H GLU 59 -2.071 -12.154 -7.324 462 HA GLU 59 HA GLU 59 -4.622 -11.264 -7.161 463 HB2 GLU 59 1HB GLU 59 -3.948 -13.122 -8.602 464 HB3 GLU 59 2HB GLU 59 -3.577 -14.127 -7.215 465 HG2 GLU 59 1HG GLU 59 -5.970 -14.070 -6.515 466 HG3 GLU 59 2HG GLU 59 -6.353 -13.029 -7.872 467 H LEU 60 H LEU 60 -6.069 -10.960 -5.521 468 HA LEU 60 HA LEU 60 -5.397 -11.487 -2.877 469 HB2 LEU 60 1HB LEU 60 -7.956 -10.771 -4.282 470 HB3 LEU 60 2HB LEU 60 -7.921 -11.063 -2.555 471 HG LEU 60 HG LEU 60 -6.144 -9.022 -3.908 472 HD11 LEU 60 1HD1 LEU 60 -8.991 -8.813 -3.006 473 HD12 LEU 60 2HD1 LEU 60 -7.904 -7.419 -2.793 474 HD13 LEU 60 3HD1 LEU 60 -8.179 -8.093 -4.418 475 HD21 LEU 60 1HD2 LEU 60 -5.277 -8.635 -1.900 476 HD22 LEU 60 2HD2 LEU 60 -6.889 -8.507 -1.156 477 HD23 LEU 60 3HD2 LEU 60 -6.113 -10.100 -1.330 478 H TYR 61 H TYR 61 -6.494 -12.944 -1.320 479 HA TYR 61 HA TYR 61 -6.401 -15.600 -2.232 480 HB2 TYR 61 1HB TYR 61 -5.964 -14.658 0.108 481 HB3 TYR 61 2HB TYR 61 -7.664 -14.256 0.239 482 HD1 TYR 61 1HD TYR 61 -9.374 -16.091 0.372 483 HD2 TYR 61 2HD TYR 61 -5.172 -16.884 0.524 484 HE1 TYR 61 1HE TYR 61 -9.836 -18.394 1.345 485 HE2 TYR 61 2HE TYR 61 -5.649 -19.184 1.495 486 HH TYR 61 HH TYR 61 -8.278 -20.735 1.247 487 H ASN 62 H ASN 62 -9.076 -13.271 -1.686 488 HA ASN 62 HA ASN 62 -10.764 -15.018 -3.202 489 HB2 ASN 62 1HB ASN 62 -10.995 -15.584 -0.653 490 HB3 ASN 62 2HB ASN 62 -11.767 -14.018 -0.498 491 HD21 ASN 62 1HD2 ASN 62 -11.962 -17.230 -1.821 492 HD22 ASN 62 2HD2 ASN 62 -13.638 -17.224 -2.259 493 H GLU 63 H GLU 63 -12.652 -13.802 -4.055 494 HA GLU 63 HA GLU 63 -12.138 -11.226 -4.704 495 HB2 GLU 63 1HB GLU 63 -14.681 -12.860 -4.601 496 HB3 GLU 63 2HB GLU 63 -14.764 -11.168 -5.053 497 HG2 GLU 63 1HG GLU 63 -13.140 -11.538 -6.885 498 HG3 GLU 63 2HG GLU 63 -12.931 -13.209 -6.398 499 H VAL 64 H VAL 64 -12.579 -9.179 -3.851 500 HA VAL 64 HA VAL 64 -14.011 -9.148 -1.290 501 HB VAL 64 HB VAL 64 -12.344 -7.354 -0.629 502 HG11 VAL 64 1HG1 VAL 64 -10.867 -9.941 -0.893 503 HG12 VAL 64 2HG1 VAL 64 -11.105 -8.896 0.528 504 HG13 VAL 64 3HG1 VAL 64 -12.426 -9.949 -0.034 505 HG21 VAL 64 1HG2 VAL 64 -10.048 -7.717 -1.724 506 HG22 VAL 64 2HG2 VAL 64 -10.943 -8.483 -3.058 507 HG23 VAL 64 3HG2 VAL 64 -11.256 -6.782 -2.639 508 H LYS 65 H LYS 65 -15.365 -7.361 -0.959 509 HA LYS 65 HA LYS 65 -16.265 -6.092 -3.312 510 HB2 LYS 65 1HB LYS 65 -17.493 -6.718 -1.080 511 HB3 LYS 65 2HB LYS 65 -16.948 -5.142 -0.543 512 HG2 LYS 65 1HG LYS 65 -18.395 -4.023 -1.927 513 HG3 LYS 65 2HG LYS 65 -18.105 -5.108 -3.273 514 HD2 LYS 65 1HD LYS 65 -19.642 -6.772 -2.371 515 HD3 LYS 65 2HD LYS 65 -19.779 -5.908 -0.852 516 HE2 LYS 65 1HE LYS 65 -20.913 -4.025 -1.958 517 HE3 LYS 65 2HE LYS 65 -20.640 -4.734 -3.538 518 HZ1 LYS 65 1HZ LYS 65 -22.523 -5.517 -1.493 519 HZ2 LYS 65 2HZ LYS 65 -22.699 -5.494 -3.117 520 HZ3 LYS 65 3HZ LYS 65 -21.886 -6.716 -2.401 521 H VAL 66 H VAL 66 -14.644 -4.905 -4.333 522 HA VAL 66 HA VAL 66 -12.959 -3.149 -2.887 523 HB VAL 66 HB VAL 66 -12.037 -2.629 -4.954 524 HG11 VAL 66 1HG1 VAL 66 -11.998 -5.100 -4.291 525 HG12 VAL 66 2HG1 VAL 66 -13.220 -5.346 -5.561 526 HG13 VAL 66 3HG1 VAL 66 -11.611 -4.713 -5.984 527 HG21 VAL 66 1HG2 VAL 66 -13.194 -2.954 -7.126 528 HG22 VAL 66 2HG2 VAL 66 -14.668 -3.423 -6.245 529 HG23 VAL 66 3HG2 VAL 66 -14.016 -1.775 -6.076 530 H GLU 67 H GLU 67 -16.088 -2.853 -4.608 531 HA GLU 67 HA GLU 67 -16.227 -0.157 -4.838 532 HB2 GLU 67 1HB GLU 67 -18.123 -2.404 -4.717 533 HB3 GLU 67 2HB GLU 67 -18.829 -0.920 -4.109 534 HG2 GLU 67 1HG GLU 67 -17.592 0.066 -6.334 535 HG3 GLU 67 2HG GLU 67 -17.871 -1.578 -6.875 536 H GLU 68 H GLU 68 -16.176 -2.095 -1.933 537 HA GLU 68 HA GLU 68 -17.138 0.190 -0.406 538 HB2 GLU 68 1HB GLU 68 -16.868 -2.755 0.334 539 HB3 GLU 68 2HB GLU 68 -17.297 -1.508 1.488 540 HG2 GLU 68 1HG GLU 68 -18.982 -1.168 -0.829 541 HG3 GLU 68 2HG GLU 68 -19.008 -2.867 -0.400 542 H SER 69 H SER 69 -14.339 -1.724 -1.260 543 HA SER 69 HA SER 69 -12.783 -1.455 0.961 544 HB2 SER 69 1HB SER 69 -12.167 -1.570 -2.002 545 HB3 SER 69 2HB SER 69 -10.862 -1.365 -0.851 546 HG SER 69 HG SER 69 -12.768 -3.544 -0.945 547 H SER 70 H SER 70 -11.163 0.116 1.619 548 HA SER 70 HA SER 70 -11.095 2.588 0.171 549 HB2 SER 70 1HB SER 70 -11.806 3.995 2.026 550 HB3 SER 70 2HB SER 70 -13.075 2.836 1.685 551 HG SER 70 HG SER 70 -12.098 3.266 4.039 552 H TRP 71 H TRP 71 -9.121 3.691 0.520 553 HA TRP 71 HA TRP 71 -7.382 2.512 2.578 554 HB2 TRP 71 1HB TRP 71 -5.518 2.613 1.100 555 HB3 TRP 71 2HB TRP 71 -6.793 1.685 0.336 556 HD1 TRP 71 HD TRP 71 -8.046 2.888 -1.812 557 HE1 TRP 71 1HE TRP 71 -7.311 4.747 -3.535 558 HE3 TRP 71 3HE TRP 71 -4.185 4.683 0.969 559 HZ2 TRP 71 2HZ TRP 71 -5.244 6.715 -3.542 560 HZ3 TRP 71 3HZ TRP 71 -2.859 6.574 0.031 561 HH2 TRP 71 HH TRP 71 -3.335 7.586 -2.142 562 H LEU 72 H LEU 72 -5.479 4.127 3.032 563 HA LEU 72 HA LEU 72 -5.763 6.824 2.389 564 HB2 LEU 72 1HB LEU 72 -6.855 7.808 4.145 565 HB3 LEU 72 2HB LEU 72 -7.842 6.395 3.829 566 HG LEU 72 HG LEU 72 -6.030 5.496 5.740 567 HD11 LEU 72 1HD1 LEU 72 -5.320 7.142 7.047 568 HD12 LEU 72 2HD1 LEU 72 -5.978 8.309 5.875 569 HD13 LEU 72 3HD1 LEU 72 -6.977 7.763 7.243 570 HD21 LEU 72 1HD2 LEU 72 -7.904 4.918 6.843 571 HD22 LEU 72 2HD2 LEU 72 -8.589 6.559 6.768 572 HD23 LEU 72 3HD2 LEU 72 -8.715 5.477 5.360 573 H ILE 73 H ILE 73 -4.099 8.130 3.440 574 HA ILE 73 HA ILE 73 -1.959 6.409 4.408 575 HB ILE 73 HB ILE 73 -1.931 9.288 3.493 576 HG12 ILE 73 1HG1 ILE 73 -0.611 7.241 1.842 577 HG13 ILE 73 2HG1 ILE 73 -2.352 7.060 1.929 578 HG21 ILE 73 1HG2 ILE 73 0.394 9.262 3.644 579 HG22 ILE 73 2HG2 ILE 73 -0.133 8.455 5.141 580 HG23 ILE 73 3HG2 ILE 73 0.467 7.488 3.771 581 HD11 ILE 73 1HD1 ILE 73 -1.037 8.789 0.224 582 HD12 ILE 73 2HD1 ILE 73 -2.738 8.959 0.718 583 HD13 ILE 73 3HD1 ILE 73 -1.469 9.870 1.570 584 H GLU 74 H GLU 74 -2.008 6.045 6.569 585 HA GLU 74 HA GLU 74 -3.242 7.848 8.322 586 HB2 GLU 74 1HB GLU 74 -1.790 5.258 8.503 587 HB3 GLU 74 2HB GLU 74 -1.690 6.247 9.947 588 HG2 GLU 74 1HG GLU 74 -4.417 6.335 8.981 589 HG3 GLU 74 2HG GLU 74 -3.909 4.658 9.032 590 H ASP 75 H ASP 75 -2.397 9.479 9.628 591 HA ASP 75 HA ASP 75 -1.037 11.110 10.117 592 HB2 ASP 75 1HB ASP 75 0.234 8.610 10.903 593 HB3 ASP 75 2HB ASP 75 1.472 9.786 10.508 594 H GLY 76 H GLY 76 -1.098 10.172 7.221 595 HA2 GLY 76 1HA GLY 76 0.008 10.434 5.273 596 HA3 GLY 76 2HA GLY 76 0.615 11.901 6.015 597 H LYS 77 H LYS 77 1.224 8.365 6.631 598 HA LYS 77 HA LYS 77 3.988 8.762 5.834 599 HB2 LYS 77 1HB LYS 77 4.641 7.527 8.027 600 HB3 LYS 77 2HB LYS 77 4.388 9.260 8.050 601 HG2 LYS 77 1HG LYS 77 2.025 8.891 8.826 602 HG3 LYS 77 2HG LYS 77 2.309 7.162 8.835 603 HD2 LYS 77 1HD LYS 77 4.406 7.880 10.373 604 HD3 LYS 77 2HD LYS 77 3.396 9.277 10.688 605 HE2 LYS 77 1HE LYS 77 1.862 8.066 11.905 606 HE3 LYS 77 2HE LYS 77 1.944 6.683 10.832 607 HZ1 LYS 77 1HZ LYS 77 3.870 7.392 12.929 608 HZ2 LYS 77 2HZ LYS 77 2.898 6.081 12.879 609 HZ3 LYS 77 3HZ LYS 77 4.141 6.216 11.829 610 H VAL 78 H VAL 78 1.492 6.517 7.200 611 HA VAL 78 HA VAL 78 2.595 4.465 5.407 612 HB VAL 78 HB VAL 78 2.306 2.902 6.999 613 HG11 VAL 78 1HG1 VAL 78 3.085 3.636 9.085 614 HG12 VAL 78 2HG1 VAL 78 3.639 4.899 7.959 615 HG13 VAL 78 3HG1 VAL 78 2.207 5.181 8.978 616 HG21 VAL 78 1HG2 VAL 78 -0.148 3.143 7.055 617 HG22 VAL 78 2HG2 VAL 78 0.528 2.850 8.676 618 HG23 VAL 78 3HG2 VAL 78 0.015 4.490 8.208 619 H VAL 79 H VAL 79 1.100 3.185 4.186 620 HA VAL 79 HA VAL 79 -1.440 4.580 3.791 621 HB VAL 79 HB VAL 79 0.382 2.924 2.094 622 HG11 VAL 79 1HG1 VAL 79 -2.610 3.073 1.848 623 HG12 VAL 79 2HG1 VAL 79 -1.607 3.025 0.379 624 HG13 VAL 79 3HG1 VAL 79 -1.511 1.702 1.566 625 HG21 VAL 79 1HG2 VAL 79 0.250 4.741 0.583 626 HG22 VAL 79 2HG2 VAL 79 -1.205 5.398 1.370 627 HG23 VAL 79 3HG2 VAL 79 0.368 5.478 2.199 628 H THR 80 H THR 80 -3.345 3.661 4.393 629 HA THR 80 HA THR 80 -3.215 0.841 5.237 630 HB THR 80 HB THR 80 -5.270 1.688 6.653 631 HG1 THR 80 1HG THR 80 -3.786 4.158 6.210 632 HG21 THR 80 1HG2 THR 80 -2.516 2.905 7.225 633 HG22 THR 80 2HG2 THR 80 -3.815 2.633 8.411 634 HG23 THR 80 3HG2 THR 80 -2.989 1.246 7.663 635 H VAL 81 H VAL 81 -4.847 -0.599 4.640 636 HA VAL 81 HA VAL 81 -6.750 0.454 2.677 637 HB VAL 81 HB VAL 81 -4.963 -1.967 2.393 638 HG11 VAL 81 1HG1 VAL 81 -6.253 -1.803 0.014 639 HG12 VAL 81 2HG1 VAL 81 -6.773 -2.852 1.355 640 HG13 VAL 81 3HG1 VAL 81 -7.547 -1.267 1.113 641 HG21 VAL 81 1HG2 VAL 81 -3.900 0.187 1.832 642 HG22 VAL 81 2HG2 VAL 81 -4.123 -0.838 0.393 643 HG23 VAL 81 3HG2 VAL 81 -5.218 0.534 0.687 644 H HIS 82 H HIS 82 -8.821 -0.319 2.920 645 HA HIS 82 HA HIS 82 -9.126 -2.405 4.956 646 HB2 HIS 82 1HB HIS 82 -9.904 -0.223 5.730 647 HB3 HIS 82 2HB HIS 82 -10.931 -0.055 4.321 648 HD1 HIS 82 1HD HIS 82 -10.553 -2.341 7.368 649 HD2 HIS 82 2HD HIS 82 -13.468 -1.062 4.636 650 HE1 HIS 82 1HE HIS 82 -12.773 -3.287 8.197 651 H LEU 83 H LEU 83 -9.445 -4.294 3.858 652 HA LEU 83 HA LEU 83 -10.991 -4.209 1.402 653 HB2 LEU 83 1HB LEU 83 -9.545 -6.499 2.743 654 HB3 LEU 83 2HB LEU 83 -10.279 -6.527 1.152 655 HG LEU 83 HG LEU 83 -8.131 -6.168 0.527 656 HD11 LEU 83 1HD1 LEU 83 -7.729 -3.885 -0.074 657 HD12 LEU 83 2HD1 LEU 83 -9.480 -4.187 -0.181 658 HD13 LEU 83 3HD1 LEU 83 -8.813 -3.298 1.209 659 HD21 LEU 83 1HD2 LEU 83 -7.315 -6.255 2.884 660 HD22 LEU 83 2HD2 LEU 83 -6.390 -5.160 1.829 661 HD23 LEU 83 3HD2 LEU 83 -7.568 -4.496 2.988 662 H GLU 84 H GLU 84 -12.796 -5.762 1.069 663 HA GLU 84 HA GLU 84 -14.095 -6.418 3.588 664 HB2 GLU 84 1HB GLU 84 -15.170 -4.376 2.842 665 HB3 GLU 84 2HB GLU 84 -15.325 -4.978 1.204 666 HG2 GLU 84 1HG GLU 84 -16.962 -6.638 1.864 667 HG3 GLU 84 2HG GLU 84 -16.635 -6.387 3.568 668 H LYS 85 H LYS 85 -14.096 -8.633 3.586 669 HA LYS 85 HA LYS 85 -13.902 -10.196 1.307 670 HB2 LYS 85 1HB LYS 85 -14.893 -10.826 4.099 671 HB3 LYS 85 2HB LYS 85 -14.651 -12.044 2.863 672 HG2 LYS 85 1HG LYS 85 -12.254 -11.289 2.630 673 HG3 LYS 85 2HG LYS 85 -12.511 -10.140 3.928 674 HD2 LYS 85 1HD LYS 85 -13.011 -11.955 5.512 675 HD3 LYS 85 2HD LYS 85 -12.955 -13.146 4.228 676 HE2 LYS 85 1HE LYS 85 -10.533 -12.538 3.820 677 HE3 LYS 85 2HE LYS 85 -10.609 -11.434 5.179 678 HZ1 LYS 85 1HZ LYS 85 -10.258 -13.135 6.505 679 HZ2 LYS 85 2HZ LYS 85 -11.607 -13.897 5.989 680 HZ3 LYS 85 3HZ LYS 85 -10.182 -14.162 5.238 681 H ILE 86 H ILE 86 -15.394 -11.294 0.003 682 HA ILE 86 HA ILE 86 -17.914 -10.000 -0.236 683 HB ILE 86 HB ILE 86 -16.646 -12.354 -1.631 684 HG12 ILE 86 1HG1 ILE 86 -15.642 -10.063 -1.931 685 HG13 ILE 86 2HG1 ILE 86 -16.170 -10.857 -3.401 686 HG21 ILE 86 1HG2 ILE 86 -19.375 -11.142 -1.926 687 HG22 ILE 86 2HG2 ILE 86 -18.529 -11.794 -3.350 688 HG23 ILE 86 3HG2 ILE 86 -18.874 -12.850 -1.959 689 HD11 ILE 86 1HD1 ILE 86 -17.031 -8.673 -3.645 690 HD12 ILE 86 2HD1 ILE 86 -18.433 -9.577 -3.024 691 HD13 ILE 86 3HD1 ILE 86 -17.475 -8.554 -1.925 692 H ASN 87 H ASN 87 -16.794 -13.274 0.823 693 HA ASN 87 HA ASN 87 -19.504 -13.863 1.603 694 HB2 ASN 87 1HB ASN 87 -16.913 -15.452 1.439 695 HB3 ASN 87 2HB ASN 87 -18.265 -16.089 2.354 696 HD21 ASN 87 1HD2 ASN 87 -19.650 -17.302 1.323 697 HD22 ASN 87 2HD2 ASN 87 -19.956 -17.334 -0.382 698 H LYS 88 H LYS 88 -16.474 -12.659 2.860 699 HA LYS 88 HA LYS 88 -15.598 -12.577 4.939 700 HB2 LYS 88 1HB LYS 88 -16.702 -10.928 6.182 701 HB3 LYS 88 2HB LYS 88 -17.199 -10.631 4.529 702 HG2 LYS 88 1HG LYS 88 -19.360 -10.811 5.182 703 HG3 LYS 88 2HG LYS 88 -19.083 -12.503 5.542 704 HD2 LYS 88 1HD LYS 88 -18.141 -11.708 7.826 705 HD3 LYS 88 2HD LYS 88 -18.814 -10.136 7.441 706 HE2 LYS 88 1HE LYS 88 -20.598 -12.566 7.193 707 HE3 LYS 88 2HE LYS 88 -20.241 -11.951 8.795 708 HZ1 LYS 88 1HZ LYS 88 -22.220 -11.008 7.553 709 HZ2 LYS 88 2HZ LYS 88 -21.233 -9.947 8.306 710 HZ3 LYS 88 3HZ LYS 88 -21.140 -10.141 6.688 711 H MET 89 H MET 89 -15.972 -15.170 4.725 712 HA MET 89 HA MET 89 -16.748 -15.890 7.355 713 HB2 MET 89 1HB MET 89 -18.500 -17.521 6.686 714 HB3 MET 89 2HB MET 89 -18.962 -15.918 6.151 715 HG2 MET 89 1HG MET 89 -19.201 -16.801 4.066 716 HG3 MET 89 2HG MET 89 -17.453 -16.894 3.993 717 HE1 MET 89 1HE MET 89 -20.584 -19.237 5.511 718 HE2 MET 89 2HE MET 89 -20.645 -18.396 3.944 719 HE3 MET 89 3HE MET 89 -20.432 -20.162 3.999 720 H GLU 90 H GLU 90 -14.328 -15.914 5.709 721 HA GLU 90 HA GLU 90 -13.711 -18.685 6.068 722 HB2 GLU 90 1HB GLU 90 -14.462 -18.798 3.771 723 HB3 GLU 90 2HB GLU 90 -13.575 -17.351 3.336 724 HG2 GLU 90 1HG GLU 90 -11.767 -18.612 2.818 725 HG3 GLU 90 2HG GLU 90 -11.666 -19.155 4.481 726 H TRP 91 H TRP 91 -11.625 -18.900 6.841 727 HA TRP 91 HA TRP 91 -10.186 -16.588 7.492 728 HB2 TRP 91 1HB TRP 91 -9.887 -18.382 8.921 729 HB3 TRP 91 2HB TRP 91 -9.664 -19.533 7.619 730 HD1 TRP 91 HD TRP 91 -7.167 -20.159 7.126 731 HE1 TRP 91 1HE TRP 91 -4.759 -19.256 7.716 732 HE3 TRP 91 3HE TRP 91 -8.750 -15.900 9.408 733 HZ2 TRP 91 2HZ TRP 91 -3.807 -16.915 9.042 734 HZ3 TRP 91 3HZ TRP 91 -7.017 -14.359 10.324 735 HH2 TRP 91 HH TRP 91 -4.619 -14.810 10.169 736 H TRP 92 H TRP 92 -7.875 -16.153 6.755 737 HA TRP 92 HA TRP 92 -7.595 -16.813 3.902 738 HB2 TRP 92 1HB TRP 92 -7.470 -14.203 5.320 739 HB3 TRP 92 2HB TRP 92 -6.296 -14.480 4.048 740 HD1 TRP 92 HD TRP 92 -9.913 -15.824 3.754 741 HE1 TRP 92 1HE TRP 92 -11.192 -14.672 1.753 742 HE3 TRP 92 3HE TRP 92 -6.276 -12.434 2.692 743 HZ2 TRP 92 2HZ TRP 92 -10.552 -12.521 -0.009 744 HZ3 TRP 92 3HZ TRP 92 -6.682 -10.844 0.816 745 HH2 TRP 92 HH TRP 92 -8.732 -10.850 -0.515 746 H ASN 93 H ASN 93 -5.776 -18.006 3.530 747 HA ASN 93 HA ASN 93 -3.941 -18.360 5.666 748 HB2 ASN 93 1HB ASN 93 -4.740 -20.071 3.809 749 HB3 ASN 93 2HB ASN 93 -3.514 -19.321 2.806 750 HD21 ASN 93 1HD2 ASN 93 -2.535 -21.415 2.780 751 HD22 ASN 93 2HD2 ASN 93 -1.502 -21.934 4.069 752 H ARG 94 H ARG 94 -4.390 -15.926 3.417 753 HA ARG 94 HA ARG 94 -1.987 -14.725 3.876 754 HB2 ARG 94 1HB ARG 94 -0.808 -14.927 1.709 755 HB3 ARG 94 2HB ARG 94 -1.001 -16.510 2.434 756 HG2 ARG 94 1HG ARG 94 -3.055 -15.448 0.461 757 HG3 ARG 94 2HG ARG 94 -1.585 -16.216 -0.105 758 HD2 ARG 94 1HD ARG 94 -3.610 -17.493 1.798 759 HD3 ARG 94 2HD ARG 94 -3.481 -17.841 0.086 760 HE ARG 94 HE ARG 94 -0.986 -18.211 1.618 761 HH11 ARG 94 2HH2 ARG 94 -3.892 -19.719 0.327 762 HH12 ARG 94 1HH2 ARG 94 -3.239 -21.322 0.383 763 HH21 ARG 94 2HH1 ARG 94 -0.124 -20.326 1.691 764 HH22 ARG 94 1HH1 ARG 94 -1.081 -21.670 1.164 765 H LEU 95 H LEU 95 -1.910 -12.582 2.853 766 HA LEU 95 HA LEU 95 -4.383 -11.474 2.349 767 HB2 LEU 95 1HB LEU 95 -2.325 -10.307 3.091 768 HB3 LEU 95 2HB LEU 95 -1.678 -10.457 1.470 769 HG LEU 95 HG LEU 95 -3.824 -9.190 0.727 770 HD11 LEU 95 1HD1 LEU 95 -5.148 -8.162 2.233 771 HD12 LEU 95 2HD1 LEU 95 -4.572 -9.454 3.312 772 HD13 LEU 95 3HD1 LEU 95 -3.810 -7.846 3.363 773 HD21 LEU 95 1HD2 LEU 95 -1.345 -8.412 0.902 774 HD22 LEU 95 2HD2 LEU 95 -2.639 -7.206 0.700 775 HD23 LEU 95 3HD2 LEU 95 -1.923 -7.483 2.306 776 H VAL 96 H VAL 96 -1.805 -12.490 0.010 777 HA VAL 96 HA VAL 96 -3.804 -12.213 -2.114 778 HB VAL 96 HB VAL 96 -1.711 -12.493 -3.558 779 HG11 VAL 96 1HG1 VAL 96 -1.569 -9.993 -1.888 780 HG12 VAL 96 2HG1 VAL 96 -1.422 -10.192 -3.651 781 HG13 VAL 96 3HG1 VAL 96 -3.015 -10.331 -2.870 782 HG21 VAL 96 1HG2 VAL 96 -0.316 -11.754 -0.965 783 HG22 VAL 96 2HG2 VAL 96 -0.279 -13.373 -1.705 784 HG23 VAL 96 3HG2 VAL 96 0.429 -11.985 -2.565 785 H THR 97 H THR 97 -1.301 -14.176 -3.171 786 HA THR 97 HA THR 97 -2.216 -16.657 -2.050 787 HB THR 97 HB THR 97 -3.002 -17.510 -4.315 788 HG1 THR 97 1HG THR 97 -3.374 -15.736 -5.866 789 HG21 THR 97 1HG2 THR 97 -4.643 -16.487 -2.587 790 HG22 THR 97 2HG2 THR 97 -4.535 -14.985 -3.536 791 HG23 THR 97 3HG2 THR 97 -5.182 -16.465 -4.283 792 H SER 98 H SER 98 -0.334 -14.865 -4.523 793 HA SER 98 HA SER 98 1.792 -16.771 -3.994 794 HB2 SER 98 1HB SER 98 0.494 -16.178 -6.607 795 HB3 SER 98 2HB SER 98 2.246 -16.139 -6.642 796 HG SER 98 HG SER 98 0.938 -18.289 -6.948 797 H ASP 99 H ASP 99 3.295 -15.490 -2.964 798 HA ASP 99 HA ASP 99 3.443 -12.854 -2.889 799 HB2 ASP 99 1HB ASP 99 5.970 -13.157 -2.570 800 HB3 ASP 99 2HB ASP 99 4.944 -14.130 -1.534 801 HA PRO 100 HA PRO 100 4.751 -11.564 -6.876 802 HB2 PRO 100 1HB PRO 100 5.666 -9.048 -6.330 803 HB3 PRO 100 2HB PRO 100 3.967 -9.427 -6.531 804 HG2 PRO 100 1HG PRO 100 5.461 -8.876 -4.040 805 HG3 PRO 100 2HG PRO 100 3.730 -8.834 -4.315 806 HD2 PRO 100 1HD PRO 100 5.208 -10.901 -2.982 807 HD3 PRO 100 2HD PRO 100 3.496 -10.912 -3.359 808 H GLU 101 H GLU 101 7.165 -9.672 -5.260 809 HA GLU 101 HA GLU 101 9.126 -11.584 -6.255 810 HB2 GLU 101 1HB GLU 101 10.506 -9.823 -7.132 811 HB3 GLU 101 2HB GLU 101 8.891 -9.544 -7.751 812 HG2 GLU 101 1HG GLU 101 8.496 -7.908 -5.859 813 HG3 GLU 101 2HG GLU 101 10.158 -8.136 -5.354 814 H ILE 102 H ILE 102 8.340 -8.868 -4.015 815 HA ILE 102 HA ILE 102 9.109 -8.322 -2.018 816 HB ILE 102 HB ILE 102 9.622 -11.293 -1.885 817 HG12 ILE 102 1HG1 ILE 102 7.335 -9.728 -0.677 818 HG13 ILE 102 2HG1 ILE 102 7.260 -10.384 -2.300 819 HG21 ILE 102 1HG2 ILE 102 9.686 -9.205 0.306 820 HG22 ILE 102 2HG2 ILE 102 9.560 -10.957 0.594 821 HG23 ILE 102 3HG2 ILE 102 11.001 -10.289 -0.209 822 HD11 ILE 102 1HD1 ILE 102 7.932 -12.068 0.154 823 HD12 ILE 102 2HD1 ILE 102 6.292 -11.904 -0.517 824 HD13 ILE 102 3HD1 ILE 102 7.579 -12.657 -1.488 825 H ASN 103 H ASN 103 11.130 -8.221 -0.554 826 HA ASN 103 HA ASN 103 13.452 -8.356 -2.314 827 HB2 ASN 103 1HB ASN 103 12.830 -6.015 -1.788 828 HB3 ASN 103 2HB ASN 103 12.789 -6.375 -0.073 829 HD21 ASN 103 1HD2 ASN 103 14.644 -6.555 1.098 830 HD22 ASN 103 2HD2 ASN 103 16.218 -6.142 0.505 831 H THR 104 H THR 104 12.227 -8.411 1.108 832 HA THR 104 HA THR 104 13.977 -10.607 1.736 833 HB THR 104 HB THR 104 15.424 -8.512 1.966 834 HG1 THR 104 1HG THR 104 16.142 -9.353 4.016 835 HG21 THR 104 1HG2 THR 104 13.732 -6.917 2.843 836 HG22 THR 104 2HG2 THR 104 13.435 -7.983 4.237 837 HG23 THR 104 3HG2 THR 104 15.009 -7.172 4.057 838 H LYS 105 H LYS 105 13.787 -10.443 4.549 839 HA LYS 105 HA LYS 105 10.868 -10.540 4.870 840 HB2 LYS 105 1HB LYS 105 11.536 -12.787 4.870 841 HB3 LYS 105 2HB LYS 105 13.012 -12.461 5.756 842 HG2 LYS 105 1HG LYS 105 11.536 -11.734 7.734 843 HG3 LYS 105 2HG LYS 105 10.162 -12.355 6.840 844 HD2 LYS 105 1HD LYS 105 10.924 -14.599 6.958 845 HD3 LYS 105 2HD LYS 105 12.586 -14.127 7.256 846 HE2 LYS 105 1HE LYS 105 12.263 -13.944 9.519 847 HE3 LYS 105 2HE LYS 105 10.716 -13.143 9.335 848 HZ1 LYS 105 1HZ LYS 105 10.466 -15.776 8.473 849 HZ2 LYS 105 2HZ LYS 105 11.179 -15.793 9.942 850 HZ3 LYS 105 3HZ LYS 105 9.737 -15.052 9.743 851 H LYS 106 H LYS 106 10.008 -9.379 6.540 852 HA LYS 106 HA LYS 106 11.693 -8.627 8.750 853 HB2 LYS 106 1HB LYS 106 12.057 -6.951 6.797 854 HB3 LYS 106 2HB LYS 106 10.452 -6.369 7.187 855 HG2 LYS 106 1HG LYS 106 12.024 -6.709 9.631 856 HG3 LYS 106 2HG LYS 106 12.888 -5.697 8.491 857 HD2 LYS 106 1HD LYS 106 11.025 -4.145 8.318 858 HD3 LYS 106 2HD LYS 106 9.953 -5.234 9.174 859 HE2 LYS 106 1HE LYS 106 10.568 -4.294 11.143 860 HE3 LYS 106 2HE LYS 106 12.218 -4.821 10.881 861 HZ1 LYS 106 1HZ LYS 106 12.415 -2.793 9.435 862 HZ2 LYS 106 2HZ LYS 106 11.007 -2.281 10.083 863 HZ3 LYS 106 3HZ LYS 106 12.305 -2.524 11.042 864 H ILE 107 H ILE 107 10.114 -10.054 9.770 865 HA ILE 107 HA ILE 107 7.473 -10.040 9.690 866 HB ILE 107 HB ILE 107 7.751 -10.124 12.358 867 HG12 ILE 107 1HG1 ILE 107 10.409 -11.222 11.793 868 HG13 ILE 107 2HG1 ILE 107 10.338 -9.483 11.589 869 HG21 ILE 107 1HG2 ILE 107 8.935 -12.448 10.944 870 HG22 ILE 107 2HG2 ILE 107 7.580 -12.362 12.095 871 HG23 ILE 107 3HG2 ILE 107 7.331 -11.909 10.392 872 HD11 ILE 107 1HD1 ILE 107 8.960 -9.645 13.908 873 HD12 ILE 107 2HD1 ILE 107 9.932 -11.128 14.066 874 HD13 ILE 107 3HD1 ILE 107 10.737 -9.553 13.868 875 H ASN 108 H ASN 108 8.778 -8.083 12.409 876 HA ASN 108 HA ASN 108 7.742 -5.673 11.446 877 HB2 ASN 108 1HB ASN 108 5.788 -7.400 12.607 878 HB3 ASN 108 2HB ASN 108 6.141 -6.213 13.846 879 HD21 ASN 108 1HD2 ASN 108 4.315 -5.049 13.756 880 HD22 ASN 108 2HD2 ASN 108 3.788 -4.110 12.399 881 HA PRO 109 HA PRO 109 10.172 -4.439 14.881 882 HB2 PRO 109 1HB PRO 109 9.235 -1.937 15.456 883 HB3 PRO 109 2HB PRO 109 10.333 -2.268 14.131 884 HG2 PRO 109 1HG PRO 109 7.436 -1.686 14.036 885 HG3 PRO 109 2HG PRO 109 8.616 -1.599 12.744 886 HD2 PRO 109 1HD PRO 109 6.673 -3.668 13.156 887 HD3 PRO 109 2HD PRO 109 7.928 -3.637 11.934 888 H GLU 110 H GLU 110 6.756 -3.810 15.445 889 HA GLU 110 HA GLU 110 5.497 -4.173 17.175 890 HB2 GLU 110 1HB GLU 110 6.768 -6.473 17.006 891 HB3 GLU 110 2HB GLU 110 7.579 -5.954 18.470 892 HG2 GLU 110 1HG GLU 110 4.558 -5.788 18.320 893 HG3 GLU 110 2HG GLU 110 5.314 -7.343 18.609 894 H ASN 111 H ASN 111 5.196 -2.403 18.457 895 HA ASN 111 HA ASN 111 6.980 -2.058 20.660 896 HB2 ASN 111 1HB ASN 111 7.185 0.476 20.092 897 HB3 ASN 111 2HB ASN 111 8.203 -0.623 19.183 898 HD21 ASN 111 1HD2 ASN 111 7.634 -1.214 17.057 899 HD22 ASN 111 2HD2 ASN 111 6.615 -0.220 16.070 900 H SER 112 H SER 112 5.056 -2.467 21.934 901 HA SER 112 HA SER 112 3.480 -0.219 22.419 902 HB2 SER 112 1HB SER 112 2.525 -1.615 20.233 903 HB3 SER 112 2HB SER 112 1.629 -2.373 21.534 904 HG SER 112 HG SER 112 1.399 0.150 22.145 905 H LYS 113 H LYS 113 1.619 -0.870 24.060 906 HA LYS 113 HA LYS 113 2.616 -3.147 25.627 907 HB2 LYS 113 1HB LYS 113 1.532 -0.470 26.535 908 HB3 LYS 113 2HB LYS 113 1.719 -1.843 27.607 909 HG2 LYS 113 1HG LYS 113 4.194 -1.905 26.609 910 HG3 LYS 113 2HG LYS 113 3.859 -0.235 26.197 911 HD2 LYS 113 1HD LYS 113 3.176 -1.116 28.992 912 HD3 LYS 113 2HD LYS 113 4.877 -0.963 28.600 913 HE2 LYS 113 1HE LYS 113 4.673 1.267 28.984 914 HE3 LYS 113 2HE LYS 113 3.742 1.367 27.503 915 HZ1 LYS 113 1HZ LYS 113 2.457 0.598 30.012 916 HZ2 LYS 113 2HZ LYS 113 2.685 2.171 29.638 917 HZ3 LYS 113 3HZ LYS 113 1.773 1.225 28.668 918 H LEU 114 H LEU 114 0.673 -3.695 27.348 919 HA LEU 114 HA LEU 114 -1.816 -3.773 25.814 920 HB2 LEU 114 1HB LEU 114 -0.282 -6.116 26.913 921 HB3 LEU 114 2HB LEU 114 -2.016 -6.188 26.672 922 HG LEU 114 HG LEU 114 -0.078 -5.487 24.456 923 HD11 LEU 114 1HD1 LEU 114 -1.148 -8.115 24.136 924 HD12 LEU 114 2HD1 LEU 114 0.551 -7.604 24.280 925 HD13 LEU 114 3HD1 LEU 114 -0.384 -8.005 25.740 926 HD21 LEU 114 1HD2 LEU 114 -2.018 -4.864 23.512 927 HD22 LEU 114 2HD2 LEU 114 -2.260 -6.612 23.283 928 HD23 LEU 114 3HD2 LEU 114 -3.004 -5.785 24.672 929 H SER 115 H SER 115 -3.192 -2.610 27.054 930 HA SER 115 HA SER 115 -3.007 -3.076 29.927 931 HB2 SER 115 1HB SER 115 -3.688 -0.629 28.293 932 HB3 SER 115 2HB SER 115 -4.381 -0.793 29.894 933 HG SER 115 HG SER 115 -2.264 -0.927 30.795 934 H ASP 116 H ASP 116 -4.383 -5.015 29.646 935 HA ASP 116 HA ASP 116 -7.161 -4.223 29.264 936 HB2 ASP 116 1HB ASP 116 -5.620 -6.147 27.767 937 HB3 ASP 116 2HB ASP 116 -6.793 -7.040 28.713 938 H LEU 117 H LEU 117 -7.477 -4.087 31.585 939 HA LEU 117 HA LEU 117 -6.802 -6.473 33.123 940 HB2 LEU 117 1HB LEU 117 -6.897 -5.159 35.024 941 HB3 LEU 117 2HB LEU 117 -6.137 -4.133 33.824 942 HG LEU 117 HG LEU 117 -8.554 -3.206 33.444 943 HD11 LEU 117 1HD1 LEU 117 -9.060 -5.086 35.503 944 HD12 LEU 117 2HD1 LEU 117 -9.256 -3.464 36.209 945 HD13 LEU 117 3HD1 LEU 117 -10.185 -3.923 34.762 946 HD21 LEU 117 1HD2 LEU 117 -8.192 -1.553 35.287 947 HD22 LEU 117 2HD2 LEU 117 -6.843 -2.563 35.858 948 HD23 LEU 117 3HD2 LEU 117 -6.776 -1.819 34.242 949 H ASP 118 H ASP 118 -8.416 -7.499 34.498 950 HA ASP 118 HA ASP 118 -11.141 -6.804 33.910 951 HB2 ASP 118 1HB ASP 118 -10.677 -8.402 32.125 952 HB3 ASP 118 2HB ASP 118 -9.890 -9.502 33.239 953 H SER 119 H SER 119 -12.650 -8.199 35.375 954 HA SER 119 HA SER 119 -11.694 -9.883 37.295 955 HB2 SER 119 1HB SER 119 -10.997 -7.150 37.874 956 HB3 SER 119 2HB SER 119 -12.224 -7.638 39.027 957 HG SER 119 HG SER 119 -9.816 -8.106 39.478 958 H GLU 120 H GLU 120 -13.536 -10.954 37.931 959 HA GLU 120 HA GLU 120 -15.966 -9.349 38.071 960 HB2 GLU 120 1HB GLU 120 -17.243 -11.149 37.051 961 HB3 GLU 120 2HB GLU 120 -15.905 -10.751 35.992 962 HG2 GLU 120 1HG GLU 120 -14.854 -12.777 36.323 963 HG3 GLU 120 2HG GLU 120 -15.288 -12.848 38.019 964 H THR 121 H THR 121 -17.346 -12.066 38.730 965 HA THR 121 HA THR 121 -16.182 -13.094 41.062 966 HB THR 121 HB THR 121 -16.676 -10.724 41.850 967 HG1 THR 121 1HG THR 121 -17.755 -11.639 43.761 968 HG21 THR 121 1HG2 THR 121 -18.794 -10.268 40.657 969 HG22 THR 121 2HG2 THR 121 -19.550 -11.692 41.411 970 HG23 THR 121 3HG2 THR 121 -19.105 -10.287 42.410 971 H ARG 122 H ARG 122 -17.808 -14.458 42.325 972 HA ARG 122 HA ARG 122 -20.203 -15.015 40.901 973 HB2 ARG 122 1HB ARG 122 -19.676 -17.370 40.373 974 HB3 ARG 122 2HB ARG 122 -18.528 -16.316 39.572 975 HG2 ARG 122 1HG ARG 122 -16.890 -17.559 40.540 976 HG3 ARG 122 2HG ARG 122 -17.310 -16.772 42.048 977 HD2 ARG 122 1HD ARG 122 -18.742 -18.577 42.728 978 HD3 ARG 122 2HD ARG 122 -18.823 -19.239 41.108 979 HE ARG 122 HE ARG 122 -16.083 -19.196 41.999 980 HH11 ARG 122 2HH2 ARG 122 -19.109 -20.924 42.491 981 HH12 ARG 122 1HH2 ARG 122 -18.337 -22.398 42.970 982 HH21 ARG 122 2HH1 ARG 122 -15.064 -21.141 42.631 983 HH22 ARG 122 1HH1 ARG 122 -16.021 -22.523 43.050 984 H SER 123 H SER 123 -21.411 -16.925 42.048 985 HA SER 123 HA SER 123 -20.429 -17.370 44.722 986 HB2 SER 123 1HB SER 123 -22.745 -15.640 44.034 987 HB3 SER 123 2HB SER 123 -23.093 -16.847 45.255 988 HG SER 123 HG SER 123 -22.083 -14.586 45.826 989 H MET 124 H MET 124 -22.115 -18.943 45.898 990 HA MET 124 HA MET 124 -23.895 -20.402 44.391 991 HB2 MET 124 1HB MET 124 -21.439 -20.989 43.419 992 HB3 MET 124 2HB MET 124 -21.387 -22.058 44.807 993 HG2 MET 124 1HG MET 124 -23.965 -22.383 43.539 994 HG3 MET 124 2HG MET 124 -22.738 -22.471 42.291 995 HE1 MET 124 1HE MET 124 -23.349 -26.176 42.846 996 HE2 MET 124 2HE MET 124 -24.637 -25.184 43.571 997 HE3 MET 124 3HE MET 124 -23.892 -24.688 42.032 998 H VAL 125 H VAL 125 -24.953 -22.023 45.674 999 HA VAL 125 HA VAL 125 -23.985 -22.079 48.447 1000 HB VAL 125 HB VAL 125 -26.204 -20.938 47.781 1001 HG11 VAL 125 1HG1 VAL 125 -26.697 -23.477 46.683 1002 HG12 VAL 125 2HG1 VAL 125 -27.717 -23.385 48.139 1003 HG13 VAL 125 3HG1 VAL 125 -27.854 -22.139 46.876 1004 HG21 VAL 125 1HG2 VAL 125 -27.127 -22.640 49.868 1005 HG22 VAL 125 2HG2 VAL 125 -25.371 -22.439 50.077 1006 HG23 VAL 125 3HG2 VAL 125 -26.427 -21.009 49.997 1007 H SER 126 H SER 126 -26.128 -24.212 48.924 1008 HA SER 126 HA SER 126 -25.630 -26.385 47.314 1009 HB2 SER 126 1HB SER 126 -23.299 -25.938 48.517 1010 HB3 SER 126 2HB SER 126 -24.067 -26.733 49.877 1011 HG SER 126 HG SER 126 -23.682 -27.814 47.219 1012 H GLY 127 H GLY 127 -26.686 -28.358 48.188 1013 HA2 GLY 127 1HA GLY 127 -28.225 -27.861 50.660 1014 HA3 GLY 127 2HA GLY 127 -29.010 -28.392 49.187 1015 HA PRO 128 HA PRO 128 -26.361 -31.899 51.039 1016 HB2 PRO 128 1HB PRO 128 -26.083 -31.860 53.757 1017 HB3 PRO 128 2HB PRO 128 -24.841 -31.293 52.659 1018 HG2 PRO 128 1HG PRO 128 -26.691 -29.713 54.339 1019 HG3 PRO 128 2HG PRO 128 -25.195 -29.208 53.579 1020 HD2 PRO 128 1HD PRO 128 -27.857 -28.608 52.695 1021 HD3 PRO 128 2HD PRO 128 -26.363 -28.201 51.874 1022 H SER 129 H SER 129 -26.873 -33.794 52.749 1023 HA SER 129 HA SER 129 -29.499 -33.729 53.694 1024 HB2 SER 129 1HB SER 129 -29.159 -34.500 50.897 1025 HB3 SER 129 2HB SER 129 -29.803 -35.841 51.823 1026 HG SER 129 HG SER 129 -31.689 -34.852 51.697 1027 H SER 130 H SER 130 -30.166 -36.042 54.457 1028 HA SER 130 HA SER 130 -28.074 -37.954 54.511 1029 HB2 SER 130 1HB SER 130 -27.802 -37.976 56.991 1030 HB3 SER 130 2HB SER 130 -27.213 -36.492 56.269 1031 HG SER 130 HG SER 130 -29.840 -36.803 57.452 1032 H GLY 131 H GLY 131 -28.810 -39.832 56.157 1033 HA2 GLY 131 1HA GLY 131 -31.706 -40.172 55.721 1034 HA3 GLY 131 2HA GLY 131 -30.518 -41.453 55.864 Start of MODEL 9 1 H1 GLY 1 H GLY 1 20.350 -15.592 -1.096 2 HA2 GLY 1 1HA GLY 1 18.797 -14.624 0.554 3 HA3 GLY 1 2HA GLY 1 19.980 -15.692 1.283 4 H SER 2 H SER 2 18.458 -13.159 2.232 5 HA SER 2 HA SER 2 20.491 -12.212 3.854 6 HB2 SER 2 1HB SER 2 21.316 -11.052 1.848 7 HB3 SER 2 2HB SER 2 19.733 -10.362 1.551 8 HG SER 2 HG SER 2 20.523 -8.717 2.693 9 H SER 3 H SER 3 17.583 -10.937 2.063 10 HA SER 3 HA SER 3 16.439 -10.374 4.686 11 HB2 SER 3 1HB SER 3 16.889 -8.413 3.097 12 HB3 SER 3 2HB SER 3 15.659 -9.079 2.041 13 HG SER 3 HG SER 3 15.383 -7.682 4.451 14 H GLY 4 H GLY 4 14.584 -11.488 5.242 15 HA2 GLY 4 1HA GLY 4 13.000 -12.699 3.074 16 HA3 GLY 4 2HA GLY 4 13.607 -13.698 4.379 17 H SER 5 H SER 5 13.018 -13.038 6.674 18 HA SER 5 HA SER 5 11.543 -12.568 8.193 19 HB2 SER 5 1HB SER 5 11.208 -10.294 6.298 20 HB3 SER 5 2HB SER 5 9.857 -10.543 7.387 21 HG SER 5 HG SER 5 12.616 -10.027 8.058 22 H SER 6 H SER 6 9.640 -13.604 8.803 23 HA SER 6 HA SER 6 8.278 -15.049 6.854 24 HB2 SER 6 1HB SER 6 8.082 -14.625 9.800 25 HB3 SER 6 2HB SER 6 6.597 -15.144 9.027 26 HG SER 6 HG SER 6 8.824 -16.578 8.139 27 H GLY 7 H GLY 7 6.762 -14.299 5.423 28 HA2 GLY 7 1HA GLY 7 4.630 -13.385 5.028 29 HA3 GLY 7 2HA GLY 7 4.843 -12.282 6.373 30 HA PRO 8 HA PRO 8 5.937 -10.050 2.546 31 HB2 PRO 8 1HB PRO 8 4.044 -8.083 2.672 32 HB3 PRO 8 2HB PRO 8 3.843 -9.548 1.731 33 HG2 PRO 8 1HG PRO 8 2.600 -8.817 4.312 34 HG3 PRO 8 2HG PRO 8 2.107 -10.047 3.165 35 HD2 PRO 8 1HD PRO 8 3.482 -10.468 5.646 36 HD3 PRO 8 2HD PRO 8 3.092 -11.683 4.445 37 H ASN 9 H ASN 9 5.826 -7.279 2.480 38 HA ASN 9 HA ASN 9 7.628 -6.801 4.707 39 HB2 ASN 9 1HB ASN 9 7.360 -5.695 1.905 40 HB3 ASN 9 2HB ASN 9 8.035 -4.638 3.129 41 HD21 ASN 9 1HD2 ASN 9 8.250 -8.032 2.062 42 HD22 ASN 9 2HD2 ASN 9 9.972 -8.184 2.157 43 H TYR 10 H TYR 10 4.689 -6.782 5.002 44 HA TYR 10 HA TYR 10 4.394 -4.114 6.043 45 HB2 TYR 10 1HB TYR 10 2.284 -3.772 4.699 46 HB3 TYR 10 2HB TYR 10 3.665 -3.943 3.634 47 HD1 TYR 10 2HD TYR 10 0.854 -5.888 5.146 48 HD2 TYR 10 1HD TYR 10 3.668 -5.575 1.939 49 HE1 TYR 10 2HE TYR 10 -0.314 -7.788 3.926 50 HE2 TYR 10 1HE TYR 10 2.492 -7.476 0.730 51 HH TYR 10 HH TYR 10 0.163 -9.433 2.286 52 H ARG 11 H ARG 11 2.229 -3.913 7.236 53 HA ARG 11 HA ARG 11 1.713 -6.507 8.419 54 HB2 ARG 11 1HB ARG 11 1.090 -3.689 9.441 55 HB3 ARG 11 2HB ARG 11 0.744 -5.163 10.323 56 HG2 ARG 11 1HG ARG 11 3.154 -5.736 10.382 57 HG3 ARG 11 2HG ARG 11 3.537 -4.332 9.406 58 HD2 ARG 11 1HD ARG 11 3.942 -3.920 11.842 59 HD3 ARG 11 2HD ARG 11 2.758 -2.812 11.179 60 HE ARG 11 HE ARG 11 1.102 -3.797 12.520 61 HH11 ARG 11 2HH2 ARG 11 3.937 -5.879 12.442 62 HH12 ARG 11 1HH2 ARG 11 3.348 -6.943 13.675 63 HH21 ARG 11 2HH1 ARG 11 0.324 -5.200 14.147 64 HH22 ARG 11 1HH1 ARG 11 1.279 -6.554 14.652 65 H TRP 12 H TRP 12 -0.466 -7.293 8.664 66 HA TRP 12 HA TRP 12 -2.652 -5.670 7.743 67 HB2 TRP 12 1HB TRP 12 -3.328 -7.033 5.908 68 HB3 TRP 12 2HB TRP 12 -1.698 -6.458 5.617 69 HD1 TRP 12 HD TRP 12 0.317 -8.386 5.978 70 HE1 TRP 12 1HE TRP 12 0.353 -10.997 5.593 71 HE3 TRP 12 3HE TRP 12 -4.731 -8.994 6.038 72 HZ2 TRP 12 2HZ TRP 12 -1.687 -12.978 5.362 73 HZ3 TRP 12 3HZ TRP 12 -5.627 -11.300 5.726 74 HH2 TRP 12 HH TRP 12 -4.194 -13.252 5.396 75 H THR 13 H THR 13 -4.735 -6.791 8.209 76 HA THR 13 HA THR 13 -4.523 -9.257 9.729 77 HB THR 13 HB THR 13 -5.539 -8.250 11.737 78 HG1 THR 13 1HG THR 13 -5.446 -5.957 9.918 79 HG21 THR 13 1HG2 THR 13 -3.789 -6.700 12.470 80 HG22 THR 13 2HG2 THR 13 -3.011 -7.970 11.495 81 HG23 THR 13 3HG2 THR 13 -3.321 -6.368 10.785 82 H GLN 14 H GLN 14 -7.145 -9.121 10.848 83 HA GLN 14 HA GLN 14 -9.102 -8.291 9.184 84 HB2 GLN 14 1HB GLN 14 -9.679 -10.477 7.968 85 HB3 GLN 14 2HB GLN 14 -8.327 -9.565 7.326 86 HG2 GLN 14 1HG GLN 14 -6.784 -11.035 8.755 87 HG3 GLN 14 2HG GLN 14 -8.182 -12.023 9.129 88 HE21 GLN 14 1HE2 GLN 14 -5.942 -13.017 7.866 89 HE22 GLN 14 2HE2 GLN 14 -6.319 -13.482 6.241 90 H THR 15 H THR 15 -11.183 -9.883 9.429 91 HA THR 15 HA THR 15 -11.022 -11.344 11.948 92 HB THR 15 HB THR 15 -11.567 -9.083 12.692 93 HG1 THR 15 1HG THR 15 -12.897 -10.903 13.482 94 HG21 THR 15 1HG2 THR 15 -12.540 -8.517 10.237 95 HG22 THR 15 2HG2 THR 15 -14.066 -9.028 10.997 96 HG23 THR 15 3HG2 THR 15 -13.142 -7.670 11.682 97 H LEU 16 H LEU 16 -11.188 -12.289 9.254 98 HA LEU 16 HA LEU 16 -12.342 -13.745 8.063 99 HB2 LEU 16 1HB LEU 16 -13.937 -13.957 10.613 100 HB3 LEU 16 2HB LEU 16 -14.242 -14.961 9.209 101 HG LEU 16 HG LEU 16 -11.445 -14.893 10.239 102 HD11 LEU 16 1HD1 LEU 16 -11.775 -16.195 12.120 103 HD12 LEU 16 2HD1 LEU 16 -13.129 -15.044 12.217 104 HD13 LEU 16 3HD1 LEU 16 -13.408 -16.697 11.620 105 HD21 LEU 16 1HD2 LEU 16 -13.244 -17.073 9.147 106 HD22 LEU 16 2HD2 LEU 16 -11.956 -16.209 8.274 107 HD23 LEU 16 3HD2 LEU 16 -11.544 -17.285 9.631 108 H ALA 17 H ALA 17 -13.135 -10.721 8.485 109 HA ALA 17 HA ALA 17 -15.469 -10.937 6.751 110 HB1 ALA 17 1HB ALA 17 -15.438 -9.931 9.519 111 HB2 ALA 17 2HB ALA 17 -16.088 -8.758 8.348 112 HB3 ALA 17 3HB ALA 17 -16.814 -10.378 8.481 113 H GLU 18 H GLU 18 -13.377 -8.509 8.480 114 HA GLU 18 HA GLU 18 -13.101 -7.194 5.896 115 HB2 GLU 18 1HB GLU 18 -12.685 -6.082 8.707 116 HB3 GLU 18 2HB GLU 18 -12.480 -5.168 7.225 117 HG2 GLU 18 1HG GLU 18 -14.871 -5.563 6.635 118 HG3 GLU 18 2HG GLU 18 -15.084 -6.514 8.091 119 H LEU 19 H LEU 19 -10.924 -6.210 5.413 120 HA LEU 19 HA LEU 19 -8.780 -7.731 6.722 121 HB2 LEU 19 1HB LEU 19 -9.506 -7.502 3.860 122 HB3 LEU 19 2HB LEU 19 -7.800 -7.369 4.237 123 HG LEU 19 HG LEU 19 -9.183 -9.640 5.534 124 HD11 LEU 19 1HD1 LEU 19 -8.988 -10.974 3.355 125 HD12 LEU 19 2HD1 LEU 19 -10.387 -9.888 3.541 126 HD13 LEU 19 3HD1 LEU 19 -9.005 -9.395 2.534 127 HD21 LEU 19 1HD2 LEU 19 -6.531 -9.013 4.327 128 HD22 LEU 19 2HD2 LEU 19 -6.938 -9.788 5.877 129 HD23 LEU 19 3HD2 LEU 19 -7.051 -10.715 4.361 130 H ASP 20 H ASP 20 -7.325 -6.436 7.700 131 HA ASP 20 HA ASP 20 -7.345 -3.653 6.882 132 HB2 ASP 20 1HB ASP 20 -7.142 -5.052 9.412 133 HB3 ASP 20 2HB ASP 20 -5.680 -4.113 9.186 134 H LEU 21 H LEU 21 -5.368 -2.638 6.197 135 HA LEU 21 HA LEU 21 -2.945 -4.244 6.285 136 HB2 LEU 21 1HB LEU 21 -3.662 -4.953 4.206 137 HB3 LEU 21 2HB LEU 21 -4.395 -3.412 3.804 138 HG LEU 21 HG LEU 21 -2.199 -2.403 3.468 139 HD11 LEU 21 1HD1 LEU 21 -0.355 -3.212 4.392 140 HD12 LEU 21 2HD1 LEU 21 -1.283 -4.590 5.031 141 HD13 LEU 21 3HD1 LEU 21 -0.504 -4.705 3.435 142 HD21 LEU 21 1HD2 LEU 21 -2.405 -5.027 1.967 143 HD22 LEU 21 2HD2 LEU 21 -3.347 -3.562 1.600 144 HD23 LEU 21 3HD2 LEU 21 -1.575 -3.544 1.438 145 H ALA 22 H ALA 22 -1.035 -2.990 6.316 146 HA ALA 22 HA ALA 22 -1.356 -0.111 6.066 147 HB1 ALA 22 1HB ALA 22 -0.350 0.287 8.275 148 HB2 ALA 22 2HB ALA 22 -1.869 -0.627 8.436 149 HB3 ALA 22 3HB ALA 22 -0.307 -1.466 8.584 150 H VAL 23 H VAL 23 0.322 0.657 4.882 151 HA VAL 23 HA VAL 23 2.803 -0.919 4.951 152 HB VAL 23 HB VAL 23 1.586 0.534 2.594 153 HG11 VAL 23 1HG1 VAL 23 3.437 0.021 1.364 154 HG12 VAL 23 2HG1 VAL 23 4.211 0.126 2.963 155 HG13 VAL 23 3HG1 VAL 23 3.778 -1.463 2.286 156 HG21 VAL 23 1HG2 VAL 23 1.355 -2.268 3.565 157 HG22 VAL 23 2HG2 VAL 23 0.227 -1.289 2.598 158 HG23 VAL 23 3HG2 VAL 23 1.636 -2.049 1.821 159 HA PRO 24 HA PRO 24 4.079 3.065 6.348 160 HB2 PRO 24 1HB PRO 24 6.359 2.234 7.604 161 HB3 PRO 24 2HB PRO 24 4.796 2.290 8.394 162 HG2 PRO 24 1HG PRO 24 6.289 -0.062 7.403 163 HG3 PRO 24 2HG PRO 24 4.964 -0.005 8.549 164 HD2 PRO 24 1HD PRO 24 4.821 -0.802 5.797 165 HD3 PRO 24 2HD PRO 24 3.478 -0.635 6.911 166 H PHE 25 H PHE 25 5.401 4.682 5.578 167 HA PHE 25 HA PHE 25 7.318 3.678 3.593 168 HB2 PHE 25 1HB PHE 25 5.374 6.057 3.626 169 HB3 PHE 25 2HB PHE 25 6.688 5.966 2.470 170 HD1 PHE 25 2HD PHE 25 6.547 2.969 1.954 171 HD2 PHE 25 1HD PHE 25 3.541 5.957 2.144 172 HE1 PHE 25 2HE PHE 25 5.100 1.610 0.417 173 HE2 PHE 25 1HE PHE 25 2.094 4.599 0.608 174 HZ PHE 25 HZ PHE 25 2.891 2.442 -0.238 175 H ARG 26 H ARG 26 9.352 4.661 3.537 176 HA ARG 26 HA ARG 26 9.885 6.300 5.840 177 HB2 ARG 26 1HB ARG 26 11.374 4.388 4.203 178 HB3 ARG 26 2HB ARG 26 12.278 5.885 4.330 179 HG2 ARG 26 1HG ARG 26 11.169 5.254 6.934 180 HG3 ARG 26 2HG ARG 26 11.976 3.828 6.313 181 HD2 ARG 26 1HD ARG 26 14.061 4.774 6.487 182 HD3 ARG 26 2HD ARG 26 13.520 6.319 5.861 183 HE ARG 26 HE ARG 26 13.385 7.058 8.062 184 HH11 ARG 26 2HH2 ARG 26 12.869 3.578 8.035 185 HH12 ARG 26 1HH2 ARG 26 12.712 3.459 9.756 186 HH21 ARG 26 2HH1 ARG 26 13.178 6.902 10.332 187 HH22 ARG 26 1HH1 ARG 26 12.889 5.362 11.071 188 H VAL 27 H VAL 27 9.127 8.398 5.287 189 HA VAL 27 HA VAL 27 10.701 9.716 3.215 190 HB VAL 27 HB VAL 27 8.520 10.931 2.599 191 HG11 VAL 27 1HG1 VAL 27 9.324 9.751 0.822 192 HG12 VAL 27 2HG1 VAL 27 9.472 8.238 1.748 193 HG13 VAL 27 3HG1 VAL 27 7.880 8.763 1.150 194 HG21 VAL 27 1HG2 VAL 27 7.500 9.083 4.521 195 HG22 VAL 27 2HG2 VAL 27 6.616 10.296 3.565 196 HG23 VAL 27 3HG2 VAL 27 6.832 8.648 2.929 197 H SER 28 H SER 28 10.219 12.229 3.403 198 HA SER 28 HA SER 28 10.126 12.773 6.267 199 HB2 SER 28 1HB SER 28 12.123 13.385 4.310 200 HB3 SER 28 2HB SER 28 11.380 14.908 4.757 201 HG SER 28 HG SER 28 11.706 14.137 7.068 202 H PHE 29 H PHE 29 8.138 12.791 3.736 203 HA PHE 29 HA PHE 29 6.955 15.363 4.493 204 HB2 PHE 29 1HB PHE 29 6.217 15.381 1.994 205 HB3 PHE 29 2HB PHE 29 7.918 15.686 2.280 206 HD1 PHE 29 1HD PHE 29 5.481 13.190 1.115 207 HD2 PHE 29 2HD PHE 29 9.595 14.136 1.548 208 HE1 PHE 29 1HE PHE 29 6.079 11.290 -0.412 209 HE2 PHE 29 2HE PHE 29 10.193 12.236 0.020 210 HZ PHE 29 HZ PHE 29 8.427 10.836 -0.941 211 H ARG 30 H ARG 30 4.548 15.433 3.718 212 HA ARG 30 HA ARG 30 3.376 13.058 4.752 213 HB2 ARG 30 1HB ARG 30 2.502 15.843 4.113 214 HB3 ARG 30 2HB ARG 30 1.252 14.629 3.928 215 HG2 ARG 30 1HG ARG 30 0.945 14.938 6.178 216 HG3 ARG 30 2HG ARG 30 2.305 13.842 6.332 217 HD2 ARG 30 1HD ARG 30 3.741 15.506 7.021 218 HD3 ARG 30 2HD ARG 30 3.093 16.678 5.891 219 HE ARG 30 HE ARG 30 1.249 16.014 8.077 220 HH11 ARG 30 2HH2 ARG 30 3.879 18.111 7.041 221 HH12 ARG 30 1HH2 ARG 30 3.492 19.367 8.169 222 HH21 ARG 30 2HH1 ARG 30 0.739 17.671 9.566 223 HH22 ARG 30 1HH1 ARG 30 1.694 19.115 9.615 224 H LEU 31 H LEU 31 2.177 11.499 3.596 225 HA LEU 31 HA LEU 31 2.555 11.531 0.744 226 HB2 LEU 31 1HB LEU 31 1.417 9.537 2.696 227 HB3 LEU 31 2HB LEU 31 1.383 9.285 0.962 228 HG LEU 31 HG LEU 31 3.255 8.146 2.181 229 HD11 LEU 31 1HD1 LEU 31 4.885 8.526 0.474 230 HD12 LEU 31 2HD1 LEU 31 3.273 8.667 -0.266 231 HD13 LEU 31 3HD1 LEU 31 4.212 10.132 0.107 232 HD21 LEU 31 1HD2 LEU 31 3.594 10.309 3.639 233 HD22 LEU 31 2HD2 LEU 31 4.967 9.250 3.235 234 HD23 LEU 31 3HD2 LEU 31 4.709 10.758 2.326 235 H LYS 32 H LYS 32 1.153 12.369 -0.698 236 HA LYS 32 HA LYS 32 -1.463 13.150 0.282 237 HB2 LYS 32 1HB LYS 32 0.090 13.783 -2.239 238 HB3 LYS 32 2HB LYS 32 -1.565 14.297 -1.980 239 HG2 LYS 32 1HG LYS 32 -0.952 15.606 -0.029 240 HG3 LYS 32 2HG LYS 32 0.651 14.900 0.025 241 HD2 LYS 32 1HD LYS 32 1.461 16.415 -1.462 242 HD3 LYS 32 2HD LYS 32 0.173 16.083 -2.602 243 HE2 LYS 32 1HE LYS 32 -0.131 18.377 -2.041 244 HE3 LYS 32 2HE LYS 32 -1.346 17.544 -1.091 245 HZ1 LYS 32 1HZ LYS 32 -0.411 18.405 0.687 246 HZ2 LYS 32 2HZ LYS 32 0.970 17.582 0.403 247 HZ3 LYS 32 3HZ LYS 32 0.784 19.092 -0.189 248 H GLY 33 H GLY 33 -3.422 12.693 -1.056 249 HA2 GLY 33 1HA GLY 33 -3.636 9.912 -1.559 250 HA3 GLY 33 2HA GLY 33 -4.844 11.144 -1.863 251 H LYS 34 H LYS 34 -2.236 12.412 -3.417 252 HA LYS 34 HA LYS 34 -2.848 10.948 -5.890 253 HB2 LYS 34 1HB LYS 34 -2.533 13.049 -7.094 254 HB3 LYS 34 2HB LYS 34 -3.822 13.181 -5.915 255 HG2 LYS 34 1HG LYS 34 -1.624 13.955 -4.410 256 HG3 LYS 34 2HG LYS 34 -1.186 14.557 -5.997 257 HD2 LYS 34 1HD LYS 34 -2.453 16.368 -5.369 258 HD3 LYS 34 2HD LYS 34 -3.785 15.378 -5.930 259 HE2 LYS 34 1HE LYS 34 -2.792 15.581 -3.047 260 HE3 LYS 34 2HE LYS 34 -4.270 16.280 -3.678 261 HZ1 LYS 34 1HZ LYS 34 -4.326 14.005 -2.532 262 HZ2 LYS 34 2HZ LYS 34 -5.229 14.232 -3.873 263 HZ3 LYS 34 3HZ LYS 34 -3.817 13.418 -3.968 264 H ASP 35 H ASP 35 -0.728 10.663 -3.638 265 HA ASP 35 HA ASP 35 1.543 10.861 -5.458 266 HB2 ASP 35 1HB ASP 35 1.183 11.778 -2.689 267 HB3 ASP 35 2HB ASP 35 2.541 10.678 -2.813 268 H VAL 36 H VAL 36 -0.665 8.768 -4.342 269 HA VAL 36 HA VAL 36 1.300 6.624 -3.961 270 HB VAL 36 HB VAL 36 0.609 6.593 -1.835 271 HG11 VAL 36 1HG1 VAL 36 -1.712 8.225 -2.821 272 HG12 VAL 36 2HG1 VAL 36 -1.799 7.458 -1.217 273 HG13 VAL 36 3HG1 VAL 36 -0.492 8.610 -1.584 274 HG21 VAL 36 1HG2 VAL 36 -1.752 5.318 -3.242 275 HG22 VAL 36 2HG2 VAL 36 -0.310 4.521 -2.568 276 HG23 VAL 36 3HG2 VAL 36 -1.513 5.252 -1.479 277 H VAL 37 H VAL 37 0.216 4.409 -4.398 278 HA VAL 37 HA VAL 37 -1.860 4.713 -6.445 279 HB VAL 37 HB VAL 37 0.717 3.146 -6.654 280 HG11 VAL 37 1HG1 VAL 37 -1.820 2.527 -7.763 281 HG12 VAL 37 2HG1 VAL 37 -0.816 3.165 -9.087 282 HG13 VAL 37 3HG1 VAL 37 -0.247 1.779 -8.127 283 HG21 VAL 37 1HG2 VAL 37 -0.258 5.724 -7.765 284 HG22 VAL 37 2HG2 VAL 37 1.396 5.183 -7.392 285 HG23 VAL 37 3HG2 VAL 37 0.604 4.651 -8.894 286 H VAL 38 H VAL 38 -3.550 3.871 -5.257 287 HA VAL 38 HA VAL 38 -3.084 1.179 -4.170 288 HB VAL 38 HB VAL 38 -4.728 3.490 -3.156 289 HG11 VAL 38 1HG1 VAL 38 -5.143 0.554 -2.742 290 HG12 VAL 38 2HG1 VAL 38 -5.363 1.646 -1.353 291 HG13 VAL 38 3HG1 VAL 38 -6.330 1.878 -2.829 292 HG21 VAL 38 1HG2 VAL 38 -2.682 3.663 -2.125 293 HG22 VAL 38 2HG2 VAL 38 -3.502 2.562 -0.992 294 HG23 VAL 38 3HG2 VAL 38 -2.369 1.912 -2.201 295 H ASP 39 H ASP 39 -3.773 -0.103 -5.859 296 HA ASP 39 HA ASP 39 -6.252 0.656 -7.135 297 HB2 ASP 39 1HB ASP 39 -3.847 -0.659 -7.966 298 HB3 ASP 39 2HB ASP 39 -5.122 -1.857 -8.077 299 H ILE 40 H ILE 40 -8.098 -0.162 -6.128 300 HA ILE 40 HA ILE 40 -7.843 -2.728 -4.742 301 HB ILE 40 HB ILE 40 -9.753 -0.417 -4.464 302 HG12 ILE 40 1HG1 ILE 40 -7.769 -1.710 -2.571 303 HG13 ILE 40 2HG1 ILE 40 -7.606 -0.146 -3.345 304 HG21 ILE 40 1HG2 ILE 40 -11.017 -1.669 -2.852 305 HG22 ILE 40 2HG2 ILE 40 -10.983 -2.582 -4.379 306 HG23 ILE 40 3HG2 ILE 40 -9.939 -3.075 -3.024 307 HD11 ILE 40 1HD1 ILE 40 -8.433 0.382 -1.187 308 HD12 ILE 40 2HD1 ILE 40 -9.888 0.440 -2.211 309 HD13 ILE 40 3HD1 ILE 40 -9.573 -0.985 -1.191 310 H GLN 41 H GLN 41 -8.456 -4.484 -5.874 311 HA GLN 41 HA GLN 41 -10.567 -4.057 -7.842 312 HB2 GLN 41 1HB GLN 41 -8.048 -5.673 -7.878 313 HB3 GLN 41 2HB GLN 41 -9.446 -6.411 -8.636 314 HG2 GLN 41 1HG GLN 41 -8.769 -3.528 -9.275 315 HG3 GLN 41 2HG GLN 41 -7.848 -4.811 -10.035 316 HE21 GLN 41 1HE2 GLN 41 -9.081 -6.546 -11.103 317 HE22 GLN 41 2HE2 GLN 41 -10.530 -6.144 -11.962 318 H ARG 42 H ARG 42 -11.376 -6.655 -8.350 319 HA ARG 42 HA ARG 42 -12.943 -7.149 -6.097 320 HB2 ARG 42 1HB ARG 42 -13.718 -7.658 -8.391 321 HB3 ARG 42 2HB ARG 42 -12.427 -8.824 -8.605 322 HG2 ARG 42 1HG ARG 42 -13.965 -10.361 -7.903 323 HG3 ARG 42 2HG ARG 42 -13.590 -9.778 -6.294 324 HD2 ARG 42 1HD ARG 42 -15.701 -8.978 -6.051 325 HD3 ARG 42 2HD ARG 42 -15.513 -7.964 -7.468 326 HE ARG 42 HE ARG 42 -16.621 -9.586 -8.777 327 HH11 ARG 42 2HH2 ARG 42 -15.873 -10.898 -5.599 328 HH12 ARG 42 1HH2 ARG 42 -16.855 -12.309 -5.810 329 HH21 ARG 42 2HH1 ARG 42 -17.917 -11.447 -9.056 330 HH22 ARG 42 1HH1 ARG 42 -18.025 -12.624 -7.789 331 H ARG 43 H ARG 43 -10.164 -8.902 -7.641 332 HA ARG 43 HA ARG 43 -9.683 -10.105 -5.053 333 HB2 ARG 43 1HB ARG 43 -10.922 -11.747 -6.564 334 HB3 ARG 43 2HB ARG 43 -9.572 -11.674 -7.678 335 HG2 ARG 43 1HG ARG 43 -8.104 -12.779 -6.199 336 HG3 ARG 43 2HG ARG 43 -9.013 -12.309 -4.776 337 HD2 ARG 43 1HD ARG 43 -10.439 -14.108 -4.930 338 HD3 ARG 43 2HD ARG 43 -10.571 -13.985 -6.673 339 HE ARG 43 HE ARG 43 -8.618 -15.586 -5.173 340 HH11 ARG 43 2HH2 ARG 43 -9.381 -14.096 -8.268 341 HH12 ARG 43 1HH2 ARG 43 -8.350 -15.152 -9.175 342 HH21 ARG 43 2HH1 ARG 43 -7.258 -16.979 -6.369 343 HH22 ARG 43 1HH1 ARG 43 -7.135 -16.803 -8.088 344 H HIS 44 H HIS 44 -8.268 -7.930 -5.770 345 HA HIS 44 HA HIS 44 -5.649 -8.929 -6.049 346 HB2 HIS 44 1HB HIS 44 -6.806 -8.709 -8.480 347 HB3 HIS 44 2HB HIS 44 -6.219 -7.068 -8.299 348 HD1 HIS 44 1HD HIS 44 -3.530 -6.873 -7.741 349 HD2 HIS 44 2HD HIS 44 -4.904 -10.515 -9.303 350 HE1 HIS 44 1HE HIS 44 -1.471 -8.093 -8.628 351 H LEU 45 H LEU 45 -4.211 -7.487 -5.114 352 HA LEU 45 HA LEU 45 -5.258 -4.787 -4.638 353 HB2 LEU 45 1HB LEU 45 -5.448 -6.372 -2.671 354 HB3 LEU 45 2HB LEU 45 -3.696 -6.401 -2.626 355 HG LEU 45 HG LEU 45 -3.606 -4.023 -2.158 356 HD11 LEU 45 1HD1 LEU 45 -5.218 -2.735 -3.001 357 HD12 LEU 45 2HD1 LEU 45 -6.372 -4.088 -3.094 358 HD13 LEU 45 3HD1 LEU 45 -6.175 -3.188 -1.570 359 HD21 LEU 45 1HD2 LEU 45 -4.859 -5.975 -0.447 360 HD22 LEU 45 2HD2 LEU 45 -3.732 -4.660 -0.037 361 HD23 LEU 45 3HD2 LEU 45 -5.483 -4.348 -0.086 362 H ARG 46 H ARG 46 -3.823 -3.119 -4.987 363 HA ARG 46 HA ARG 46 -1.059 -3.880 -5.368 364 HB2 ARG 46 1HB ARG 46 -2.544 -3.681 -7.589 365 HB3 ARG 46 2HB ARG 46 -2.319 -1.960 -7.346 366 HG2 ARG 46 1HG ARG 46 0.176 -2.328 -7.255 367 HG3 ARG 46 2HG ARG 46 -0.084 -4.031 -7.579 368 HD2 ARG 46 1HD ARG 46 -1.567 -2.711 -9.594 369 HD3 ARG 46 2HD ARG 46 -0.101 -1.762 -9.449 370 HE ARG 46 HE ARG 46 0.917 -4.296 -9.495 371 HH11 ARG 46 2HH2 ARG 46 -1.467 -2.708 -11.539 372 HH12 ARG 46 1HH2 ARG 46 -1.080 -3.650 -12.940 373 HH21 ARG 46 2HH1 ARG 46 1.428 -5.538 -11.344 374 HH22 ARG 46 1HH1 ARG 46 0.578 -5.270 -12.829 375 H VAL 47 H VAL 47 -0.102 -2.642 -3.766 376 HA VAL 47 HA VAL 47 -0.970 0.162 -3.592 377 HB VAL 47 HB VAL 47 0.083 -1.708 -1.462 378 HG11 VAL 47 1HG1 VAL 47 -0.290 0.195 0.099 379 HG12 VAL 47 2HG1 VAL 47 1.005 0.501 -1.083 380 HG13 VAL 47 3HG1 VAL 47 -0.596 1.247 -1.303 381 HG21 VAL 47 1HG2 VAL 47 -2.049 -1.797 -0.575 382 HG22 VAL 47 2HG2 VAL 47 -2.550 -0.269 -1.339 383 HG23 VAL 47 3HG2 VAL 47 -2.404 -1.748 -2.319 384 H GLY 48 H GLY 48 0.745 1.739 -3.111 385 HA2 GLY 48 1HA GLY 48 3.396 1.390 -2.863 386 HA3 GLY 48 2HA GLY 48 3.159 1.087 -4.573 387 H LEU 49 H LEU 49 4.722 3.257 -3.751 388 HA LEU 49 HA LEU 49 3.000 5.593 -3.868 389 HB2 LEU 49 1HB LEU 49 5.995 5.345 -3.549 390 HB3 LEU 49 2HB LEU 49 5.073 6.833 -3.458 391 HG LEU 49 HG LEU 49 4.456 4.549 -1.594 392 HD11 LEU 49 1HD1 LEU 49 6.220 4.889 -0.237 393 HD12 LEU 49 2HD1 LEU 49 6.997 5.474 -1.727 394 HD13 LEU 49 3HD1 LEU 49 6.290 6.635 -0.578 395 HD21 LEU 49 1HD2 LEU 49 4.044 6.739 -0.144 396 HD22 LEU 49 2HD2 LEU 49 3.847 7.464 -1.758 397 HD23 LEU 49 3HD2 LEU 49 2.819 6.097 -1.265 398 H LYS 50 H LYS 50 2.788 6.931 -5.637 399 HA LYS 50 HA LYS 50 3.105 5.935 -8.145 400 HB2 LYS 50 1HB LYS 50 2.128 8.264 -6.996 401 HB3 LYS 50 2HB LYS 50 3.416 8.848 -8.030 402 HG2 LYS 50 1HG LYS 50 2.365 8.160 -9.980 403 HG3 LYS 50 2HG LYS 50 1.641 6.753 -9.227 404 HD2 LYS 50 1HD LYS 50 -0.067 8.121 -8.137 405 HD3 LYS 50 2HD LYS 50 0.731 9.603 -8.626 406 HE2 LYS 50 1HE LYS 50 0.286 8.032 -11.004 407 HE3 LYS 50 2HE LYS 50 -1.211 8.046 -10.094 408 HZ1 LYS 50 1HZ LYS 50 -1.327 9.967 -11.290 409 HZ2 LYS 50 2HZ LYS 50 -0.703 10.540 -9.894 410 HZ3 LYS 50 3HZ LYS 50 0.268 10.302 -11.185 411 H GLY 51 H GLY 51 4.755 5.600 -9.555 412 HA2 GLY 51 1HA GLY 51 6.765 6.146 -10.587 413 HA3 GLY 51 2HA GLY 51 7.238 7.108 -9.202 414 H GLN 52 H GLN 52 6.688 5.235 -7.085 415 HA GLN 52 HA GLN 52 8.983 3.566 -7.463 416 HB2 GLN 52 1HB GLN 52 9.184 3.699 -5.204 417 HB3 GLN 52 2HB GLN 52 7.950 4.939 -5.300 418 HG2 GLN 52 1HG GLN 52 6.176 3.203 -4.984 419 HG3 GLN 52 2HG GLN 52 7.407 1.959 -4.895 420 HE21 GLN 52 1HE2 GLN 52 9.368 3.045 -3.412 421 HE22 GLN 52 2HE2 GLN 52 8.839 3.400 -1.801 422 HA PRO 53 HA PRO 53 6.853 -0.188 -7.949 423 HB2 PRO 53 1HB PRO 53 8.228 -1.995 -6.429 424 HB3 PRO 53 2HB PRO 53 8.785 -1.440 -7.995 425 HG2 PRO 53 1HG PRO 53 9.774 -0.705 -5.308 426 HG3 PRO 53 2HG PRO 53 10.564 -0.508 -6.860 427 HD2 PRO 53 1HD PRO 53 9.281 1.540 -5.316 428 HD3 PRO 53 2HD PRO 53 9.967 1.711 -6.919 429 HA PRO 54 HA PRO 54 3.874 -0.667 -4.956 430 HB2 PRO 54 1HB PRO 54 2.418 -2.719 -6.023 431 HB3 PRO 54 2HB PRO 54 2.225 -1.050 -6.517 432 HG2 PRO 54 1HG PRO 54 3.565 -3.263 -7.947 433 HG3 PRO 54 2HG PRO 54 2.993 -1.733 -8.582 434 HD2 PRO 54 1HD PRO 54 5.712 -2.442 -8.004 435 HD3 PRO 54 2HD PRO 54 5.126 -0.876 -8.528 436 H VAL 55 H VAL 55 4.426 -1.264 -2.960 437 HA VAL 55 HA VAL 55 5.988 -3.502 -2.489 438 HB VAL 55 HB VAL 55 4.026 -2.283 -0.549 439 HG11 VAL 55 1HG1 VAL 55 6.172 -2.670 0.931 440 HG12 VAL 55 2HG1 VAL 55 5.063 -4.016 0.572 441 HG13 VAL 55 3HG1 VAL 55 6.582 -3.846 -0.341 442 HG21 VAL 55 1HG2 VAL 55 4.964 -0.319 -1.279 443 HG22 VAL 55 2HG2 VAL 55 6.174 -0.798 -0.064 444 HG23 VAL 55 3HG2 VAL 55 6.479 -1.100 -1.791 445 H VAL 56 H VAL 56 2.446 -3.086 -2.753 446 HA VAL 56 HA VAL 56 2.183 -5.974 -2.278 447 HB VAL 56 HB VAL 56 0.123 -3.777 -2.000 448 HG11 VAL 56 1HG1 VAL 56 -0.537 -6.202 -0.611 449 HG12 VAL 56 2HG1 VAL 56 -1.423 -5.380 -1.918 450 HG13 VAL 56 3HG1 VAL 56 -0.174 -6.586 -2.311 451 HG21 VAL 56 1HG2 VAL 56 2.098 -3.905 -0.310 452 HG22 VAL 56 2HG2 VAL 56 0.434 -3.795 0.310 453 HG23 VAL 56 3HG2 VAL 56 1.274 -5.364 0.289 454 H ASP 57 H ASP 57 1.371 -7.254 -3.903 455 HA ASP 57 HA ASP 57 -0.246 -6.268 -5.927 456 HB2 ASP 57 1HB ASP 57 1.547 -5.177 -6.995 457 HB3 ASP 57 2HB ASP 57 2.723 -6.359 -6.458 458 H GLY 58 H GLY 58 -1.437 -8.206 -5.830 459 HA2 GLY 58 1HA GLY 58 -0.446 -10.545 -7.037 460 HA3 GLY 58 2HA GLY 58 -0.362 -10.735 -5.297 461 H GLU 59 H GLU 59 -2.064 -12.339 -6.917 462 HA GLU 59 HA GLU 59 -4.671 -11.205 -6.844 463 HB2 GLU 59 1HB GLU 59 -3.994 -12.816 -8.601 464 HB3 GLU 59 2HB GLU 59 -3.730 -14.055 -7.391 465 HG2 GLU 59 1HG GLU 59 -6.113 -14.036 -6.772 466 HG3 GLU 59 2HG GLU 59 -6.418 -12.673 -7.831 467 H LEU 60 H LEU 60 -5.677 -10.894 -4.899 468 HA LEU 60 HA LEU 60 -5.025 -11.954 -2.510 469 HB2 LEU 60 1HB LEU 60 -7.786 -11.253 -3.516 470 HB3 LEU 60 2HB LEU 60 -7.354 -11.469 -1.831 471 HG LEU 60 HG LEU 60 -6.057 -9.396 -3.615 472 HD11 LEU 60 1HD1 LEU 60 -8.560 -9.229 -1.943 473 HD12 LEU 60 2HD1 LEU 60 -7.568 -7.793 -2.294 474 HD13 LEU 60 3HD1 LEU 60 -8.294 -8.721 -3.628 475 HD21 LEU 60 1HD2 LEU 60 -5.285 -8.391 -1.570 476 HD22 LEU 60 2HD2 LEU 60 -6.186 -9.575 -0.594 477 HD23 LEU 60 3HD2 LEU 60 -4.807 -10.105 -1.586 478 H TYR 61 H TYR 61 -6.182 -13.599 -1.122 479 HA TYR 61 HA TYR 61 -6.231 -16.083 -2.562 480 HB2 TYR 61 1HB TYR 61 -5.212 -15.756 -0.284 481 HB3 TYR 61 2HB TYR 61 -6.741 -15.163 0.335 482 HD1 TYR 61 1HD TYR 61 -8.774 -16.857 0.131 483 HD2 TYR 61 2HD TYR 61 -4.650 -17.992 0.048 484 HE1 TYR 61 1HE TYR 61 -9.404 -19.222 0.821 485 HE2 TYR 61 2HE TYR 61 -5.293 -20.353 0.739 486 HH TYR 61 HH TYR 61 -7.673 -21.746 0.382 487 H ASN 62 H ASN 62 -8.571 -13.784 -1.178 488 HA ASN 62 HA ASN 62 -10.652 -15.484 -2.270 489 HB2 ASN 62 1HB ASN 62 -10.325 -15.506 0.397 490 HB3 ASN 62 2HB ASN 62 -11.164 -13.970 0.309 491 HD21 ASN 62 1HD2 ASN 62 -13.093 -14.438 1.119 492 HD22 ASN 62 2HD2 ASN 62 -14.204 -15.616 0.502 493 H GLU 63 H GLU 63 -12.258 -14.243 -3.357 494 HA GLU 63 HA GLU 63 -11.698 -11.770 -4.229 495 HB2 GLU 63 1HB GLU 63 -14.450 -13.001 -3.767 496 HB3 GLU 63 2HB GLU 63 -14.163 -11.588 -4.762 497 HG2 GLU 63 1HG GLU 63 -13.701 -12.955 -6.509 498 HG3 GLU 63 2HG GLU 63 -12.276 -13.517 -5.657 499 H VAL 64 H VAL 64 -12.904 -9.640 -3.828 500 HA VAL 64 HA VAL 64 -13.851 -9.318 -1.111 501 HB VAL 64 HB VAL 64 -12.263 -7.397 -0.775 502 HG11 VAL 64 1HG1 VAL 64 -10.821 -8.729 0.396 503 HG12 VAL 64 2HG1 VAL 64 -12.069 -9.942 0.021 504 HG13 VAL 64 3HG1 VAL 64 -10.585 -9.860 -0.958 505 HG21 VAL 64 1HG2 VAL 64 -11.574 -7.199 -3.164 506 HG22 VAL 64 2HG2 VAL 64 -10.202 -7.311 -2.036 507 HG23 VAL 64 3HG2 VAL 64 -10.682 -8.730 -2.998 508 H LYS 65 H LYS 65 -15.177 -7.452 -0.866 509 HA LYS 65 HA LYS 65 -16.329 -6.582 -3.323 510 HB2 LYS 65 1HB LYS 65 -17.493 -7.052 -1.078 511 HB3 LYS 65 2HB LYS 65 -16.910 -5.480 -0.570 512 HG2 LYS 65 1HG LYS 65 -18.530 -4.421 -1.753 513 HG3 LYS 65 2HG LYS 65 -18.069 -5.250 -3.227 514 HD2 LYS 65 1HD LYS 65 -19.469 -7.178 -2.665 515 HD3 LYS 65 2HD LYS 65 -19.791 -6.543 -1.064 516 HE2 LYS 65 1HE LYS 65 -20.906 -4.533 -2.140 517 HE3 LYS 65 2HE LYS 65 -20.676 -5.287 -3.705 518 HZ1 LYS 65 1HZ LYS 65 -21.821 -7.239 -2.286 519 HZ2 LYS 65 2HZ LYS 65 -22.558 -5.922 -1.661 520 HZ3 LYS 65 3HZ LYS 65 -22.628 -6.212 -3.267 521 H VAL 66 H VAL 66 -15.488 -5.042 -4.611 522 HA VAL 66 HA VAL 66 -13.440 -3.321 -3.658 523 HB VAL 66 HB VAL 66 -14.908 -2.839 -6.211 524 HG11 VAL 66 1HG1 VAL 66 -11.949 -3.176 -6.015 525 HG12 VAL 66 2HG1 VAL 66 -12.914 -2.015 -6.958 526 HG13 VAL 66 3HG1 VAL 66 -12.669 -1.760 -5.213 527 HG21 VAL 66 1HG2 VAL 66 -13.179 -4.778 -7.004 528 HG22 VAL 66 2HG2 VAL 66 -13.680 -5.418 -5.421 529 HG23 VAL 66 3HG2 VAL 66 -14.903 -5.058 -6.662 530 H GLU 67 H GLU 67 -16.717 -2.598 -5.070 531 HA GLU 67 HA GLU 67 -16.838 0.001 -4.553 532 HB2 GLU 67 1HB GLU 67 -19.009 -2.111 -4.281 533 HB3 GLU 67 2HB GLU 67 -19.366 -0.400 -4.154 534 HG2 GLU 67 1HG GLU 67 -18.019 -0.230 -6.440 535 HG3 GLU 67 2HG GLU 67 -18.352 -1.947 -6.553 536 H GLU 68 H GLU 68 -16.866 -2.609 -2.170 537 HA GLU 68 HA GLU 68 -17.473 -0.648 -0.106 538 HB2 GLU 68 1HB GLU 68 -17.629 -3.687 -0.139 539 HB3 GLU 68 2HB GLU 68 -17.749 -2.762 1.344 540 HG2 GLU 68 1HG GLU 68 -19.506 -1.567 -0.628 541 HG3 GLU 68 2HG GLU 68 -19.814 -3.292 -0.582 542 H SER 69 H SER 69 -14.964 -0.358 -1.235 543 HA SER 69 HA SER 69 -13.325 -1.222 0.982 544 HB2 SER 69 1HB SER 69 -12.779 -1.822 -1.941 545 HB3 SER 69 2HB SER 69 -11.455 -1.672 -0.803 546 HG SER 69 HG SER 69 -13.312 -3.277 0.345 547 H SER 70 H SER 70 -11.526 0.226 1.394 548 HA SER 70 HA SER 70 -11.189 2.420 -0.420 549 HB2 SER 70 1HB SER 70 -11.622 4.157 1.277 550 HB3 SER 70 2HB SER 70 -13.063 3.205 0.984 551 HG SER 70 HG SER 70 -11.933 1.888 2.938 552 H TRP 71 H TRP 71 -9.490 4.058 0.826 553 HA TRP 71 HA TRP 71 -7.712 2.606 2.570 554 HB2 TRP 71 1HB TRP 71 -5.784 2.700 1.149 555 HB3 TRP 71 2HB TRP 71 -7.044 1.759 0.376 556 HD1 TRP 71 HD TRP 71 -8.262 2.938 -1.813 557 HE1 TRP 71 1HE TRP 71 -7.479 4.755 -3.560 558 HE3 TRP 71 3HE TRP 71 -4.423 4.741 0.992 559 HZ2 TRP 71 2HZ TRP 71 -5.389 6.698 -3.572 560 HZ3 TRP 71 3HZ TRP 71 -3.061 6.598 0.039 561 HH2 TRP 71 HH TRP 71 -3.492 7.573 -2.161 562 H LEU 72 H LEU 72 -6.003 4.108 3.406 563 HA LEU 72 HA LEU 72 -6.249 6.878 2.704 564 HB2 LEU 72 1HB LEU 72 -7.220 7.730 4.588 565 HB3 LEU 72 2HB LEU 72 -8.180 6.292 4.301 566 HG LEU 72 HG LEU 72 -6.199 5.357 5.990 567 HD11 LEU 72 1HD1 LEU 72 -6.960 7.553 7.681 568 HD12 LEU 72 2HD1 LEU 72 -5.336 6.957 7.259 569 HD13 LEU 72 3HD1 LEU 72 -6.135 8.170 6.230 570 HD21 LEU 72 1HD2 LEU 72 -8.134 4.536 6.723 571 HD22 LEU 72 2HD2 LEU 72 -8.294 6.029 7.680 572 HD23 LEU 72 3HD2 LEU 72 -9.058 5.913 6.076 573 H ILE 73 H ILE 73 -4.643 8.209 4.011 574 HA ILE 73 HA ILE 73 -2.334 6.495 4.553 575 HB ILE 73 HB ILE 73 -2.598 9.383 3.730 576 HG12 ILE 73 1HG1 ILE 73 -0.857 7.630 2.176 577 HG13 ILE 73 2HG1 ILE 73 -2.502 7.028 2.238 578 HG21 ILE 73 1HG2 ILE 73 -0.813 9.072 5.453 579 HG22 ILE 73 2HG2 ILE 73 -0.022 7.918 4.352 580 HG23 ILE 73 3HG2 ILE 73 -0.221 9.619 3.866 581 HD11 ILE 73 1HD1 ILE 73 -2.135 8.604 0.329 582 HD12 ILE 73 2HD1 ILE 73 -3.379 9.194 1.457 583 HD13 ILE 73 3HD1 ILE 73 -1.741 9.890 1.495 584 H GLU 74 H GLU 74 -1.537 6.288 6.588 585 HA GLU 74 HA GLU 74 -2.837 7.929 8.598 586 HB2 GLU 74 1HB GLU 74 -1.755 5.160 8.504 587 HB3 GLU 74 2HB GLU 74 -1.418 6.018 9.994 588 HG2 GLU 74 1HG GLU 74 -4.170 6.531 9.226 589 HG3 GLU 74 2HG GLU 74 -3.886 4.802 9.182 590 H ASP 75 H ASP 75 -1.675 9.283 9.993 591 HA ASP 75 HA ASP 75 -0.056 10.559 10.662 592 HB2 ASP 75 1HB ASP 75 1.442 7.976 10.167 593 HB3 ASP 75 2HB ASP 75 2.357 9.409 10.595 594 H GLY 76 H GLY 76 -0.708 10.146 7.637 595 HA2 GLY 76 1HA GLY 76 -0.004 10.887 5.634 596 HA3 GLY 76 2HA GLY 76 0.865 12.114 6.534 597 H LYS 77 H LYS 77 1.319 8.514 6.428 598 HA LYS 77 HA LYS 77 3.675 8.743 4.842 599 HB2 LYS 77 1HB LYS 77 5.239 7.909 6.589 600 HB3 LYS 77 2HB LYS 77 4.692 9.553 6.851 601 HG2 LYS 77 1HG LYS 77 3.165 8.887 8.589 602 HG3 LYS 77 2HG LYS 77 3.272 7.194 8.148 603 HD2 LYS 77 1HD LYS 77 4.952 6.935 9.644 604 HD3 LYS 77 2HD LYS 77 5.949 8.009 8.683 605 HE2 LYS 77 1HE LYS 77 4.582 9.930 9.919 606 HE3 LYS 77 2HE LYS 77 4.226 8.672 11.086 607 HZ1 LYS 77 1HZ LYS 77 6.230 8.957 11.906 608 HZ2 LYS 77 2HZ LYS 77 6.931 8.557 10.487 609 HZ3 LYS 77 3HZ LYS 77 6.569 10.117 10.807 610 H VAL 78 H VAL 78 1.665 6.855 7.159 611 HA VAL 78 HA VAL 78 2.409 4.405 5.791 612 HB VAL 78 HB VAL 78 0.637 4.965 8.178 613 HG11 VAL 78 1HG1 VAL 78 1.723 2.267 7.346 614 HG12 VAL 78 2HG1 VAL 78 0.454 2.640 8.536 615 HG13 VAL 78 3HG1 VAL 78 0.137 2.861 6.798 616 HG21 VAL 78 1HG2 VAL 78 3.348 5.198 8.076 617 HG22 VAL 78 2HG2 VAL 78 2.434 4.729 9.529 618 HG23 VAL 78 3HG2 VAL 78 3.176 3.478 8.502 619 H VAL 79 H VAL 79 1.042 3.211 4.463 620 HA VAL 79 HA VAL 79 -1.424 4.615 3.716 621 HB VAL 79 HB VAL 79 0.617 3.015 2.234 622 HG11 VAL 79 1HG1 VAL 79 -1.227 1.712 1.605 623 HG12 VAL 79 2HG1 VAL 79 -2.334 3.106 1.602 624 HG13 VAL 79 3HG1 VAL 79 -1.115 2.935 0.316 625 HG21 VAL 79 1HG2 VAL 79 0.060 4.829 0.509 626 HG22 VAL 79 2HG2 VAL 79 -0.873 5.612 1.808 627 HG23 VAL 79 3HG2 VAL 79 0.876 5.348 2.004 628 H THR 80 H THR 80 -3.174 3.763 4.719 629 HA THR 80 HA THR 80 -3.132 0.906 5.352 630 HB THR 80 HB THR 80 -5.255 1.708 6.665 631 HG1 THR 80 1HG THR 80 -4.935 4.149 6.967 632 HG21 THR 80 1HG2 THR 80 -3.943 2.645 8.492 633 HG22 THR 80 2HG2 THR 80 -2.928 1.404 7.718 634 HG23 THR 80 3HG2 THR 80 -2.640 3.127 7.378 635 H VAL 81 H VAL 81 -4.699 -0.559 4.661 636 HA VAL 81 HA VAL 81 -6.496 0.464 2.582 637 HB VAL 81 HB VAL 81 -4.776 -2.020 2.424 638 HG11 VAL 81 1HG1 VAL 81 -5.734 -1.745 -0.064 639 HG12 VAL 81 2HG1 VAL 81 -6.573 -2.693 1.188 640 HG13 VAL 81 3HG1 VAL 81 -7.095 -1.029 0.831 641 HG21 VAL 81 1HG2 VAL 81 -3.925 -0.701 0.333 642 HG22 VAL 81 2HG2 VAL 81 -4.545 0.722 1.204 643 HG23 VAL 81 3HG2 VAL 81 -3.291 -0.299 1.947 644 H HIS 82 H HIS 82 -8.574 -0.326 2.698 645 HA HIS 82 HA HIS 82 -8.995 -2.385 4.741 646 HB2 HIS 82 1HB HIS 82 -9.969 -0.505 5.664 647 HB3 HIS 82 2HB HIS 82 -10.453 0.153 4.114 648 HD1 HIS 82 1HD HIS 82 -11.328 -3.074 6.023 649 HD2 HIS 82 2HD HIS 82 -13.159 0.039 3.889 650 HE1 HIS 82 1HE HIS 82 -13.833 -3.562 6.054 651 H LEU 83 H LEU 83 -9.461 -4.312 3.813 652 HA LEU 83 HA LEU 83 -10.934 -4.233 1.277 653 HB2 LEU 83 1HB LEU 83 -8.976 -6.206 2.436 654 HB3 LEU 83 2HB LEU 83 -10.038 -6.618 1.104 655 HG LEU 83 HG LEU 83 -7.828 -4.559 1.153 656 HD11 LEU 83 1HD1 LEU 83 -7.206 -6.917 0.752 657 HD12 LEU 83 2HD1 LEU 83 -8.299 -6.946 -0.653 658 HD13 LEU 83 3HD1 LEU 83 -6.883 -5.867 -0.648 659 HD21 LEU 83 1HD2 LEU 83 -9.554 -3.419 0.011 660 HD22 LEU 83 2HD2 LEU 83 -8.500 -4.105 -1.249 661 HD23 LEU 83 3HD2 LEU 83 -10.053 -4.886 -0.866 662 H GLU 84 H GLU 84 -12.801 -5.519 1.006 663 HA GLU 84 HA GLU 84 -13.810 -6.585 3.529 664 HB2 GLU 84 1HB GLU 84 -14.920 -4.455 2.530 665 HB3 GLU 84 2HB GLU 84 -15.567 -5.514 1.293 666 HG2 GLU 84 1HG GLU 84 -16.024 -6.789 3.835 667 HG3 GLU 84 2HG GLU 84 -16.519 -5.116 3.994 668 H LYS 85 H LYS 85 -14.195 -8.759 3.526 669 HA LYS 85 HA LYS 85 -13.717 -10.285 1.223 670 HB2 LYS 85 1HB LYS 85 -15.079 -11.094 3.809 671 HB3 LYS 85 2HB LYS 85 -14.396 -12.179 2.616 672 HG2 LYS 85 1HG LYS 85 -12.143 -11.085 2.962 673 HG3 LYS 85 2HG LYS 85 -12.849 -10.087 4.218 674 HD2 LYS 85 1HD LYS 85 -13.336 -12.016 5.609 675 HD3 LYS 85 2HD LYS 85 -12.985 -13.131 4.303 676 HE2 LYS 85 1HE LYS 85 -10.878 -13.258 5.156 677 HE3 LYS 85 2HE LYS 85 -10.616 -11.663 4.479 678 HZ1 LYS 85 1HZ LYS 85 -10.934 -10.686 6.486 679 HZ2 LYS 85 2HZ LYS 85 -11.907 -11.859 7.072 680 HZ3 LYS 85 3HZ LYS 85 -10.295 -12.102 6.990 681 H ILE 86 H ILE 86 -15.176 -11.578 -0.053 682 HA ILE 86 HA ILE 86 -17.635 -10.184 -0.551 683 HB ILE 86 HB ILE 86 -16.194 -12.486 -1.843 684 HG12 ILE 86 1HG1 ILE 86 -15.471 -10.036 -2.106 685 HG13 ILE 86 2HG1 ILE 86 -15.674 -10.998 -3.557 686 HG21 ILE 86 1HG2 ILE 86 -19.019 -11.586 -2.216 687 HG22 ILE 86 2HG2 ILE 86 -18.074 -12.054 -3.651 688 HG23 ILE 86 3HG2 ILE 86 -18.307 -13.214 -2.321 689 HD11 ILE 86 1HD1 ILE 86 -16.937 -8.536 -2.955 690 HD12 ILE 86 2HD1 ILE 86 -17.289 -9.611 -4.330 691 HD13 ILE 86 3HD1 ILE 86 -18.215 -9.768 -2.818 692 H ASN 87 H ASN 87 -16.530 -13.081 1.153 693 HA ASN 87 HA ASN 87 -19.288 -13.932 1.417 694 HB2 ASN 87 1HB ASN 87 -16.604 -15.250 2.039 695 HB3 ASN 87 2HB ASN 87 -18.108 -15.935 2.623 696 HD21 ASN 87 1HD2 ASN 87 -18.469 -17.668 1.451 697 HD22 ASN 87 2HD2 ASN 87 -18.499 -17.767 -0.278 698 H LYS 88 H LYS 88 -16.329 -12.933 3.236 699 HA LYS 88 HA LYS 88 -16.027 -12.124 5.266 700 HB2 LYS 88 1HB LYS 88 -18.882 -11.439 4.767 701 HB3 LYS 88 2HB LYS 88 -18.324 -11.328 6.424 702 HG2 LYS 88 1HG LYS 88 -16.227 -10.117 5.109 703 HG3 LYS 88 2HG LYS 88 -17.555 -9.690 4.048 704 HD2 LYS 88 1HD LYS 88 -17.915 -9.344 7.031 705 HD3 LYS 88 2HD LYS 88 -16.946 -8.172 6.161 706 HE2 LYS 88 1HE LYS 88 -19.020 -7.170 5.896 707 HE3 LYS 88 2HE LYS 88 -19.043 -8.196 4.476 708 HZ1 LYS 88 1HZ LYS 88 -20.827 -9.131 5.328 709 HZ2 LYS 88 2HZ LYS 88 -19.940 -9.742 6.555 710 HZ3 LYS 88 3HZ LYS 88 -20.696 -8.305 6.730 711 H MET 89 H MET 89 -16.088 -14.902 4.946 712 HA MET 89 HA MET 89 -16.632 -15.636 7.625 713 HB2 MET 89 1HB MET 89 -18.274 -17.416 7.126 714 HB3 MET 89 2HB MET 89 -18.904 -15.892 6.533 715 HG2 MET 89 1HG MET 89 -19.175 -16.932 4.524 716 HG3 MET 89 2HG MET 89 -17.435 -16.830 4.344 717 HE1 MET 89 1HE MET 89 -20.172 -18.593 3.927 718 HE2 MET 89 2HE MET 89 -19.648 -20.285 3.757 719 HE3 MET 89 3HE MET 89 -20.374 -19.727 5.284 720 H GLU 90 H GLU 90 -14.414 -15.481 5.596 721 HA GLU 90 HA GLU 90 -13.475 -18.168 6.036 722 HB2 GLU 90 1HB GLU 90 -14.472 -18.257 3.770 723 HB3 GLU 90 2HB GLU 90 -13.510 -16.881 3.271 724 HG2 GLU 90 1HG GLU 90 -12.151 -18.602 2.496 725 HG3 GLU 90 2HG GLU 90 -11.468 -18.391 4.096 726 H TRP 91 H TRP 91 -11.357 -18.136 6.718 727 HA TRP 91 HA TRP 91 -9.992 -15.556 6.524 728 HB2 TRP 91 1HB TRP 91 -9.990 -16.069 8.736 729 HB3 TRP 91 2HB TRP 91 -9.999 -17.801 8.467 730 HD1 TRP 91 HD TRP 91 -7.487 -18.876 7.721 731 HE1 TRP 91 1HE TRP 91 -5.031 -18.241 8.445 732 HE3 TRP 91 3HE TRP 91 -8.623 -14.205 9.378 733 HZ2 TRP 91 2HZ TRP 91 -3.864 -15.908 9.603 734 HZ3 TRP 91 3HZ TRP 91 -6.767 -12.814 10.290 735 HH2 TRP 91 HH TRP 91 -4.455 -13.595 10.418 736 H TRP 92 H TRP 92 -8.033 -15.365 5.416 737 HA TRP 92 HA TRP 92 -7.299 -17.707 3.828 738 HB2 TRP 92 1HB TRP 92 -6.075 -15.052 3.328 739 HB3 TRP 92 2HB TRP 92 -6.577 -16.299 2.204 740 HD1 TRP 92 HD TRP 92 -9.696 -16.248 3.623 741 HE1 TRP 92 1HE TRP 92 -11.401 -14.404 2.813 742 HE3 TRP 92 3HE TRP 92 -6.196 -13.127 1.657 743 HZ2 TRP 92 2HZ TRP 92 -11.101 -11.904 1.471 744 HZ3 TRP 92 3HZ TRP 92 -6.986 -11.005 0.615 745 HH2 TRP 92 HH TRP 92 -9.345 -10.374 0.503 746 H ASN 93 H ASN 93 -4.867 -18.029 3.514 747 HA ASN 93 HA ASN 93 -3.651 -17.813 6.119 748 HB2 ASN 93 1HB ASN 93 -3.709 -19.841 4.204 749 HB3 ASN 93 2HB ASN 93 -2.129 -19.136 3.923 750 HD21 ASN 93 1HD2 ASN 93 -1.947 -21.560 4.701 751 HD22 ASN 93 2HD2 ASN 93 -1.538 -21.761 6.372 752 H ARG 94 H ARG 94 -3.533 -16.528 2.831 753 HA ARG 94 HA ARG 94 -1.416 -14.770 3.662 754 HB2 ARG 94 1HB ARG 94 -0.644 -15.277 1.037 755 HB3 ARG 94 2HB ARG 94 0.144 -15.935 2.458 756 HG2 ARG 94 1HG ARG 94 -0.345 -17.827 1.071 757 HG3 ARG 94 2HG ARG 94 -1.529 -17.880 2.361 758 HD2 ARG 94 1HD ARG 94 -3.266 -16.962 0.935 759 HD3 ARG 94 2HD ARG 94 -2.111 -16.522 -0.307 760 HE ARG 94 HE ARG 94 -2.228 -18.703 -1.124 761 HH11 ARG 94 2HH2 ARG 94 -3.286 -18.702 2.232 762 HH12 ARG 94 1HH2 ARG 94 -3.738 -20.374 2.223 763 HH21 ARG 94 2HH1 ARG 94 -2.824 -20.909 -1.136 764 HH22 ARG 94 1HH1 ARG 94 -3.474 -21.638 0.294 765 H LEU 95 H LEU 95 -2.028 -12.696 3.109 766 HA LEU 95 HA LEU 95 -4.335 -11.946 2.051 767 HB2 LEU 95 1HB LEU 95 -2.332 -10.593 2.959 768 HB3 LEU 95 2HB LEU 95 -1.828 -10.476 1.285 769 HG LEU 95 HG LEU 95 -4.231 -9.563 0.859 770 HD11 LEU 95 1HD1 LEU 95 -5.587 -9.150 2.570 771 HD12 LEU 95 2HD1 LEU 95 -4.469 -10.088 3.589 772 HD13 LEU 95 3HD1 LEU 95 -4.303 -8.319 3.479 773 HD21 LEU 95 1HD2 LEU 95 -2.413 -7.734 2.420 774 HD22 LEU 95 2HD2 LEU 95 -1.969 -8.352 0.811 775 HD23 LEU 95 3HD2 LEU 95 -3.439 -7.368 1.012 776 H VAL 96 H VAL 96 -1.349 -12.209 -0.014 777 HA VAL 96 HA VAL 96 -3.156 -12.616 -2.287 778 HB VAL 96 HB VAL 96 -1.014 -12.068 -3.574 779 HG11 VAL 96 1HG1 VAL 96 -3.098 -10.535 -2.761 780 HG12 VAL 96 2HG1 VAL 96 -1.743 -9.637 -2.036 781 HG13 VAL 96 3HG1 VAL 96 -1.772 -9.942 -3.790 782 HG21 VAL 96 1HG2 VAL 96 -0.072 -10.546 -1.195 783 HG22 VAL 96 2HG2 VAL 96 0.253 -12.296 -1.209 784 HG23 VAL 96 3HG2 VAL 96 0.847 -11.270 -2.536 785 H THR 97 H THR 97 -2.656 -14.312 -3.832 786 HA THR 97 HA THR 97 -1.839 -16.707 -2.547 787 HB THR 97 HB THR 97 -2.244 -17.619 -4.883 788 HG1 THR 97 1HG THR 97 -1.985 -16.043 -6.413 789 HG21 THR 97 1HG2 THR 97 -4.416 -17.594 -4.143 790 HG22 THR 97 2HG2 THR 97 -4.178 -16.048 -3.293 791 HG23 THR 97 3HG2 THR 97 -4.578 -16.058 -5.028 792 H SER 98 H SER 98 -0.200 -14.271 -4.534 793 HA SER 98 HA SER 98 2.264 -15.561 -3.877 794 HB2 SER 98 1HB SER 98 2.082 -16.752 -5.881 795 HB3 SER 98 2HB SER 98 1.173 -15.485 -6.682 796 HG SER 98 HG SER 98 3.697 -15.942 -7.061 797 H ASP 99 H ASP 99 3.906 -14.018 -3.633 798 HA ASP 99 HA ASP 99 3.047 -11.308 -3.959 799 HB2 ASP 99 1HB ASP 99 5.219 -12.776 -2.529 800 HB3 ASP 99 2HB ASP 99 5.660 -11.172 -3.080 801 HA PRO 100 HA PRO 100 5.565 -10.542 -7.469 802 HB2 PRO 100 1HB PRO 100 6.540 -8.019 -7.075 803 HB3 PRO 100 2HB PRO 100 4.907 -8.341 -7.625 804 HG2 PRO 100 1HG PRO 100 5.826 -7.482 -4.950 805 HG3 PRO 100 2HG PRO 100 4.216 -7.398 -5.637 806 HD2 PRO 100 1HD PRO 100 5.165 -9.301 -3.712 807 HD3 PRO 100 2HD PRO 100 3.592 -9.288 -4.485 808 H GLU 101 H GLU 101 7.921 -8.699 -7.482 809 HA GLU 101 HA GLU 101 9.739 -10.736 -6.468 810 HB2 GLU 101 1HB GLU 101 10.072 -8.680 -8.692 811 HB3 GLU 101 2HB GLU 101 11.388 -9.674 -8.099 812 HG2 GLU 101 1HG GLU 101 9.187 -11.445 -8.593 813 HG3 GLU 101 2HG GLU 101 9.288 -10.376 -9.978 814 H ILE 102 H ILE 102 9.592 -7.142 -7.046 815 HA ILE 102 HA ILE 102 11.320 -6.818 -4.709 816 HB ILE 102 HB ILE 102 10.585 -4.863 -6.891 817 HG12 ILE 102 1HG1 ILE 102 13.227 -6.288 -6.520 818 HG13 ILE 102 2HG1 ILE 102 11.960 -6.909 -7.559 819 HG21 ILE 102 1HG2 ILE 102 12.605 -4.676 -4.640 820 HG22 ILE 102 2HG2 ILE 102 12.445 -3.520 -5.983 821 HG23 ILE 102 3HG2 ILE 102 11.114 -3.722 -4.819 822 HD11 ILE 102 1HD1 ILE 102 13.860 -5.244 -8.481 823 HD12 ILE 102 2HD1 ILE 102 12.199 -5.209 -9.121 824 HD13 ILE 102 3HD1 ILE 102 12.709 -4.017 -7.900 825 H ASN 103 H ASN 103 10.788 -4.926 -3.244 826 HA ASN 103 HA ASN 103 7.905 -4.554 -3.122 827 HB2 ASN 103 1HB ASN 103 9.791 -5.599 -1.015 828 HB3 ASN 103 2HB ASN 103 8.542 -4.498 -0.468 829 HD21 ASN 103 1HD2 ASN 103 8.308 -6.805 0.609 830 HD22 ASN 103 2HD2 ASN 103 7.083 -7.811 -0.088 831 H THR 104 H THR 104 11.100 -3.611 -1.627 832 HA THR 104 HA THR 104 10.240 -0.799 -1.827 833 HB THR 104 HB THR 104 11.562 -0.455 0.269 834 HG1 THR 104 1HG THR 104 12.476 -2.414 1.196 835 HG21 THR 104 1HG2 THR 104 10.220 -1.902 1.842 836 HG22 THR 104 2HG2 THR 104 9.192 -1.082 0.642 837 HG23 THR 104 3HG2 THR 104 9.599 -2.803 0.438 838 H LYS 105 H LYS 105 12.310 0.690 -1.663 839 HA LYS 105 HA LYS 105 14.337 -0.499 -3.423 840 HB2 LYS 105 1HB LYS 105 12.510 1.658 -3.987 841 HB3 LYS 105 2HB LYS 105 14.149 2.276 -3.974 842 HG2 LYS 105 1HG LYS 105 14.834 0.387 -5.511 843 HG3 LYS 105 2HG LYS 105 13.161 -0.130 -5.576 844 HD2 LYS 105 1HD LYS 105 12.979 1.266 -7.371 845 HD3 LYS 105 2HD LYS 105 12.914 2.559 -6.190 846 HE2 LYS 105 1HE LYS 105 15.677 1.673 -6.833 847 HE3 LYS 105 2HE LYS 105 14.813 2.330 -8.208 848 HZ1 LYS 105 1HZ LYS 105 15.165 3.659 -5.611 849 HZ2 LYS 105 2HZ LYS 105 15.909 4.059 -7.008 850 HZ3 LYS 105 3HZ LYS 105 14.296 4.267 -6.853 851 H LYS 106 H LYS 106 16.312 1.237 -3.471 852 HA LYS 106 HA LYS 106 17.495 1.060 -1.000 853 HB2 LYS 106 1HB LYS 106 18.026 2.787 -3.417 854 HB3 LYS 106 2HB LYS 106 19.022 2.907 -1.980 855 HG2 LYS 106 1HG LYS 106 18.521 0.113 -2.872 856 HG3 LYS 106 2HG LYS 106 19.408 1.081 -4.032 857 HD2 LYS 106 1HD LYS 106 20.920 1.793 -2.037 858 HD3 LYS 106 2HD LYS 106 20.162 0.491 -1.141 859 HE2 LYS 106 1HE LYS 106 21.303 -1.136 -2.289 860 HE3 LYS 106 2HE LYS 106 21.083 -0.339 -3.835 861 HZ1 LYS 106 1HZ LYS 106 23.389 -0.447 -2.588 862 HZ2 LYS 106 2HZ LYS 106 22.997 0.771 -3.604 863 HZ3 LYS 106 3HZ LYS 106 22.858 0.977 -1.990 864 H ILE 107 H ILE 107 18.396 3.165 0.191 865 HA ILE 107 HA ILE 107 16.177 4.297 1.458 866 HB ILE 107 HB ILE 107 19.101 5.042 1.463 867 HG12 ILE 107 1HG1 ILE 107 18.529 3.941 3.897 868 HG13 ILE 107 2HG1 ILE 107 17.460 3.017 2.860 869 HG21 ILE 107 1HG2 ILE 107 18.550 6.898 2.549 870 HG22 ILE 107 2HG2 ILE 107 16.829 6.445 2.572 871 HG23 ILE 107 3HG2 ILE 107 17.915 5.876 3.862 872 HD11 ILE 107 1HD1 ILE 107 19.918 3.196 1.439 873 HD12 ILE 107 2HD1 ILE 107 20.348 2.832 3.127 874 HD13 ILE 107 3HD1 ILE 107 19.237 1.760 2.241 875 H ASN 108 H ASN 108 18.683 5.919 -0.624 876 HA ASN 108 HA ASN 108 16.699 7.266 -2.075 877 HB2 ASN 108 1HB ASN 108 17.495 8.506 0.403 878 HB3 ASN 108 2HB ASN 108 18.220 9.446 -0.887 879 HD21 ASN 108 1HD2 ASN 108 16.796 11.129 -0.184 880 HD22 ASN 108 2HD2 ASN 108 15.156 11.197 -0.736 881 HA PRO 109 HA PRO 109 20.317 7.671 -4.522 882 HB2 PRO 109 1HB PRO 109 19.544 9.534 -6.366 883 HB3 PRO 109 2HB PRO 109 19.093 7.843 -6.465 884 HG2 PRO 109 1HG PRO 109 17.439 10.159 -5.664 885 HG3 PRO 109 2HG PRO 109 16.921 8.565 -6.175 886 HD2 PRO 109 1HD PRO 109 16.981 9.573 -3.490 887 HD3 PRO 109 2HD PRO 109 16.574 7.943 -3.989 888 H GLU 110 H GLU 110 20.658 8.886 -2.111 889 HA GLU 110 HA GLU 110 22.545 10.842 -2.914 890 HB2 GLU 110 1HB GLU 110 20.876 12.479 -2.870 891 HB3 GLU 110 2HB GLU 110 19.954 11.668 -1.620 892 HG2 GLU 110 1HG GLU 110 21.026 13.695 -0.706 893 HG3 GLU 110 2HG GLU 110 21.675 12.266 0.072 894 H ASN 111 H ASN 111 24.255 10.019 -1.779 895 HA ASN 111 HA ASN 111 24.215 10.135 1.008 896 HB2 ASN 111 1HB ASN 111 22.937 7.937 0.569 897 HB3 ASN 111 2HB ASN 111 24.412 7.302 -0.136 898 HD21 ASN 111 1HD2 ASN 111 25.487 6.058 1.174 899 HD22 ASN 111 2HD2 ASN 111 25.677 6.236 2.886 900 H SER 112 H SER 112 26.427 9.171 1.866 901 HA SER 112 HA SER 112 28.484 10.234 0.514 902 HB2 SER 112 1HB SER 112 28.179 8.209 2.663 903 HB3 SER 112 2HB SER 112 29.709 8.111 1.814 904 HG SER 112 HG SER 112 29.204 9.745 3.774 905 H LYS 113 H LYS 113 29.439 9.796 -1.437 906 HA LYS 113 HA LYS 113 29.994 7.093 -2.181 907 HB2 LYS 113 1HB LYS 113 27.626 8.474 -3.280 908 HB3 LYS 113 2HB LYS 113 28.698 7.797 -4.490 909 HG2 LYS 113 1HG LYS 113 28.056 5.675 -3.993 910 HG3 LYS 113 2HG LYS 113 28.371 5.910 -2.286 911 HD2 LYS 113 1HD LYS 113 26.074 5.576 -2.197 912 HD3 LYS 113 2HD LYS 113 26.098 7.319 -2.380 913 HE2 LYS 113 1HE LYS 113 25.965 5.449 -4.785 914 HE3 LYS 113 2HE LYS 113 24.521 5.994 -3.954 915 HZ1 LYS 113 1HZ LYS 113 25.225 8.264 -4.372 916 HZ2 LYS 113 2HZ LYS 113 26.545 7.739 -5.178 917 HZ3 LYS 113 3HZ LYS 113 25.053 7.436 -5.769 918 H LEU 114 H LEU 114 31.025 7.169 -4.538 919 HA LEU 114 HA LEU 114 32.774 9.515 -4.494 920 HB2 LEU 114 1HB LEU 114 34.111 7.665 -4.261 921 HB3 LEU 114 2HB LEU 114 33.104 6.657 -5.280 922 HG LEU 114 HG LEU 114 33.942 7.712 -7.283 923 HD11 LEU 114 1HD1 LEU 114 36.021 9.366 -6.045 924 HD12 LEU 114 2HD1 LEU 114 34.923 9.715 -7.402 925 HD13 LEU 114 3HD1 LEU 114 34.366 9.939 -5.726 926 HD21 LEU 114 1HD2 LEU 114 35.346 5.963 -6.828 927 HD22 LEU 114 2HD2 LEU 114 36.512 7.309 -6.828 928 HD23 LEU 114 3HD2 LEU 114 35.903 6.658 -5.287 929 H SER 115 H SER 115 29.916 9.142 -5.661 930 HA SER 115 HA SER 115 30.680 10.062 -8.320 931 HB2 SER 115 1HB SER 115 28.726 7.970 -7.504 932 HB3 SER 115 2HB SER 115 28.118 9.108 -8.689 933 HG SER 115 HG SER 115 29.138 7.323 -9.742 934 H ASP 116 H ASP 116 30.651 12.230 -7.260 935 HA ASP 116 HA ASP 116 27.899 13.117 -6.880 936 HB2 ASP 116 1HB ASP 116 29.758 13.110 -4.908 937 HB3 ASP 116 2HB ASP 116 30.196 14.633 -5.657 938 H LEU 117 H LEU 117 27.763 13.783 -9.142 939 HA LEU 117 HA LEU 117 29.723 15.801 -9.958 940 HB2 LEU 117 1HB LEU 117 29.657 14.918 -11.978 941 HB3 LEU 117 2HB LEU 117 28.827 13.557 -11.249 942 HG LEU 117 HG LEU 117 27.433 15.949 -12.483 943 HD11 LEU 117 1HD1 LEU 117 28.851 14.266 -13.959 944 HD12 LEU 117 2HD1 LEU 117 27.401 13.253 -13.765 945 HD13 LEU 117 3HD1 LEU 117 27.264 14.874 -14.488 946 HD21 LEU 117 1HD2 LEU 117 25.423 14.972 -12.029 947 HD22 LEU 117 2HD2 LEU 117 26.091 13.322 -12.026 948 HD23 LEU 117 3HD2 LEU 117 26.354 14.392 -10.627 949 H ASP 118 H ASP 118 28.846 17.707 -11.185 950 HA ASP 118 HA ASP 118 26.629 18.722 -9.694 951 HB2 ASP 118 1HB ASP 118 28.093 20.100 -11.981 952 HB3 ASP 118 2HB ASP 118 27.205 20.860 -10.676 953 H SER 119 H SER 119 24.514 18.818 -10.501 954 HA SER 119 HA SER 119 24.211 18.119 -13.311 955 HB2 SER 119 1HB SER 119 21.740 17.707 -12.439 956 HB3 SER 119 2HB SER 119 22.987 16.504 -12.177 957 HG SER 119 HG SER 119 21.924 18.418 -10.301 958 H GLU 120 H GLU 120 23.660 20.559 -10.826 959 HA GLU 120 HA GLU 120 22.413 22.205 -12.875 960 HB2 GLU 120 1HB GLU 120 21.602 22.295 -9.942 961 HB3 GLU 120 2HB GLU 120 20.841 23.135 -11.279 962 HG2 GLU 120 1HG GLU 120 20.827 20.406 -12.046 963 HG3 GLU 120 2HG GLU 120 20.425 20.388 -10.341 964 H THR 121 H THR 121 22.207 24.295 -10.540 965 HA THR 121 HA THR 121 24.908 24.805 -9.790 966 HB THR 121 HB THR 121 24.867 25.390 -12.284 967 HG1 THR 121 1HG THR 121 26.091 27.243 -11.714 968 HG21 THR 121 1HG2 THR 121 23.485 27.045 -13.120 969 HG22 THR 121 2HG2 THR 121 22.426 26.576 -11.769 970 HG23 THR 121 3HG2 THR 121 23.521 27.969 -11.599 971 H ARG 122 H ARG 122 25.063 27.083 -8.760 972 HA ARG 122 HA ARG 122 22.738 27.256 -7.103 973 HB2 ARG 122 1HB ARG 122 25.181 27.330 -6.274 974 HB3 ARG 122 2HB ARG 122 25.282 28.942 -6.954 975 HG2 ARG 122 1HG ARG 122 23.915 29.872 -5.332 976 HG3 ARG 122 2HG ARG 122 22.916 28.439 -5.192 977 HD2 ARG 122 1HD ARG 122 24.557 27.308 -3.812 978 HD3 ARG 122 2HD ARG 122 25.793 28.494 -4.181 979 HE ARG 122 HE ARG 122 23.675 28.755 -2.192 980 HH11 ARG 122 2HH2 ARG 122 25.826 30.559 -4.312 981 HH12 ARG 122 1HH2 ARG 122 25.781 31.996 -3.347 982 HH21 ARG 122 2HH1 ARG 122 23.614 30.650 -0.917 983 HH22 ARG 122 1HH1 ARG 122 24.514 32.049 -1.403 984 H SER 123 H SER 123 21.588 29.315 -6.697 985 HA SER 123 HA SER 123 22.096 31.368 -8.672 986 HB2 SER 123 1HB SER 123 19.665 29.645 -8.510 987 HB3 SER 123 2HB SER 123 19.350 31.360 -8.682 988 HG SER 123 HG SER 123 19.530 30.527 -10.770 989 H MET 124 H MET 124 20.669 33.396 -8.126 990 HA MET 124 HA MET 124 20.039 33.453 -5.296 991 HB2 MET 124 1HB MET 124 22.115 35.076 -6.787 992 HB3 MET 124 2HB MET 124 21.202 35.902 -5.540 993 HG2 MET 124 1HG MET 124 21.859 33.576 -4.215 994 HG3 MET 124 2HG MET 124 23.245 33.737 -5.275 995 HE1 MET 124 1HE MET 124 21.065 36.791 -3.596 996 HE2 MET 124 2HE MET 124 20.973 35.247 -2.714 997 HE3 MET 124 3HE MET 124 21.856 36.623 -2.010 998 H VAL 125 H VAL 125 18.885 35.625 -4.726 999 HA VAL 125 HA VAL 125 17.612 36.895 -6.982 1000 HB VAL 125 HB VAL 125 16.102 35.172 -5.013 1001 HG11 VAL 125 1HG1 VAL 125 14.058 36.091 -5.739 1002 HG12 VAL 125 2HG1 VAL 125 15.106 37.501 -5.449 1003 HG13 VAL 125 3HG1 VAL 125 14.820 36.931 -7.111 1004 HG21 VAL 125 1HG2 VAL 125 15.135 34.313 -7.257 1005 HG22 VAL 125 2HG2 VAL 125 16.556 35.089 -7.995 1006 HG23 VAL 125 3HG2 VAL 125 16.774 33.801 -6.786 1007 H SER 126 H SER 126 17.828 39.012 -6.497 1008 HA SER 126 HA SER 126 16.813 39.980 -4.058 1009 HB2 SER 126 1HB SER 126 19.020 41.086 -3.355 1010 HB3 SER 126 2HB SER 126 18.876 39.369 -3.038 1011 HG SER 126 HG SER 126 20.204 38.897 -4.817 1012 H GLY 127 H GLY 127 15.583 41.472 -5.220 1013 HA2 GLY 127 1HA GLY 127 17.114 43.462 -6.775 1014 HA3 GLY 127 2HA GLY 127 15.648 42.741 -7.411 1015 HA PRO 128 HA PRO 128 14.518 45.531 -3.721 1016 HB2 PRO 128 1HB PRO 128 16.375 47.346 -2.869 1017 HB3 PRO 128 2HB PRO 128 16.113 45.802 -2.082 1018 HG2 PRO 128 1HG PRO 128 18.334 46.627 -3.851 1019 HG3 PRO 128 2HG PRO 128 18.262 45.278 -2.734 1020 HD2 PRO 128 1HD PRO 128 18.009 45.159 -5.589 1021 HD3 PRO 128 2HD PRO 128 17.822 43.829 -4.464 1022 H SER 129 H SER 129 13.038 47.021 -4.239 1023 HA SER 129 HA SER 129 13.301 48.288 -6.671 1024 HB2 SER 129 1HB SER 129 11.319 47.989 -4.677 1025 HB3 SER 129 2HB SER 129 11.526 49.722 -4.833 1026 HG SER 129 HG SER 129 11.467 49.019 -7.323 1027 H SER 130 H SER 130 14.187 50.253 -7.310 1028 HA SER 130 HA SER 130 14.848 52.137 -5.220 1029 HB2 SER 130 1HB SER 130 17.152 52.386 -5.936 1030 HB3 SER 130 2HB SER 130 16.872 50.692 -5.587 1031 HG SER 130 HG SER 130 17.841 50.557 -7.544 1032 H GLY 131 H GLY 131 15.747 54.269 -6.356 1033 HA2 GLY 131 1HA GLY 131 14.225 54.652 -8.867 1034 HA3 GLY 131 2HA GLY 131 14.292 55.834 -7.574 Start of MODEL 10 1 H1 GLY 1 H GLY 1 22.384 -5.580 13.111 2 HA2 GLY 1 1HA GLY 1 21.111 -4.638 11.518 3 HA3 GLY 1 2HA GLY 1 21.833 -5.771 10.392 4 H SER 2 H SER 2 20.752 -7.749 9.852 5 HA SER 2 HA SER 2 18.071 -7.620 9.654 6 HB2 SER 2 1HB SER 2 20.078 -9.440 8.956 7 HB3 SER 2 2HB SER 2 19.026 -10.393 9.983 8 HG SER 2 HG SER 2 18.639 -9.861 7.427 9 H SER 3 H SER 3 16.391 -9.198 10.663 10 HA SER 3 HA SER 3 17.027 -9.669 13.460 11 HB2 SER 3 1HB SER 3 15.016 -7.810 12.357 12 HB3 SER 3 2HB SER 3 14.322 -8.955 13.487 13 HG SER 3 HG SER 3 16.682 -7.374 14.050 14 H GLY 4 H GLY 4 14.644 -10.126 10.758 15 HA2 GLY 4 1HA GLY 4 14.669 -12.805 10.536 16 HA3 GLY 4 2HA GLY 4 13.633 -12.573 11.930 17 H SER 5 H SER 5 12.026 -10.495 11.518 18 HA SER 5 HA SER 5 10.265 -9.776 10.476 19 HB2 SER 5 1HB SER 5 12.099 -9.181 8.724 20 HB3 SER 5 2HB SER 5 11.483 -10.535 7.798 21 HG SER 5 HG SER 5 9.616 -8.600 8.771 22 H SER 6 H SER 6 8.231 -10.508 9.460 23 HA SER 6 HA SER 6 8.247 -13.267 8.606 24 HB2 SER 6 1HB SER 6 7.745 -12.945 11.186 25 HB3 SER 6 2HB SER 6 6.173 -12.404 10.634 26 HG SER 6 HG SER 6 5.720 -14.506 10.653 27 H GLY 7 H GLY 7 6.494 -13.767 7.168 28 HA2 GLY 7 1HA GLY 7 4.716 -13.371 5.827 29 HA3 GLY 7 2HA GLY 7 4.312 -11.959 6.783 30 HA PRO 8 HA PRO 8 5.821 -10.263 2.910 31 HB2 PRO 8 1HB PRO 8 3.922 -8.315 2.648 32 HB3 PRO 8 2HB PRO 8 3.760 -9.912 1.945 33 HG2 PRO 8 1HG PRO 8 2.415 -8.790 4.327 34 HG3 PRO 8 2HG PRO 8 1.969 -10.190 3.372 35 HD2 PRO 8 1HD PRO 8 3.247 -10.201 5.940 36 HD3 PRO 8 2HD PRO 8 2.906 -11.594 4.933 37 H ASN 9 H ASN 9 5.680 -7.526 2.413 38 HA ASN 9 HA ASN 9 7.467 -6.710 4.544 39 HB2 ASN 9 1HB ASN 9 6.968 -5.530 1.760 40 HB3 ASN 9 2HB ASN 9 8.139 -4.899 2.901 41 HD21 ASN 9 1HD2 ASN 9 9.091 -5.567 0.549 42 HD22 ASN 9 2HD2 ASN 9 9.998 -7.043 0.571 43 H TYR 10 H TYR 10 4.715 -6.712 5.219 44 HA TYR 10 HA TYR 10 4.300 -4.057 5.997 45 HB2 TYR 10 1HB TYR 10 2.120 -3.871 4.542 46 HB3 TYR 10 2HB TYR 10 3.635 -3.613 3.699 47 HD1 TYR 10 1HD TYR 10 0.991 -6.146 4.369 48 HD2 TYR 10 2HD TYR 10 4.289 -5.011 1.892 49 HE1 TYR 10 1HE TYR 10 0.395 -7.987 2.720 50 HE2 TYR 10 2HE TYR 10 3.682 -6.856 0.251 51 HH TYR 10 HH TYR 10 1.431 -9.301 1.042 52 H ARG 11 H ARG 11 2.348 -3.819 7.322 53 HA ARG 11 HA ARG 11 1.669 -6.344 8.459 54 HB2 ARG 11 1HB ARG 11 0.593 -3.589 9.229 55 HB3 ARG 11 2HB ARG 11 0.614 -5.025 10.233 56 HG2 ARG 11 1HG ARG 11 3.035 -4.984 10.406 57 HG3 ARG 11 2HG ARG 11 3.173 -3.777 9.143 58 HD2 ARG 11 1HD ARG 11 3.438 -2.822 11.465 59 HD3 ARG 11 2HD ARG 11 2.146 -2.067 10.553 60 HE ARG 11 HE ARG 11 0.568 -2.998 12.029 61 HH11 ARG 11 2HH2 ARG 11 3.700 -4.526 12.522 62 HH12 ARG 11 1HH2 ARG 11 3.211 -5.357 13.960 63 HH21 ARG 11 2HH1 ARG 11 -0.078 -4.095 13.926 64 HH22 ARG 11 1HH1 ARG 11 1.048 -5.111 14.764 65 H TRP 12 H TRP 12 -0.348 -7.389 8.320 66 HA TRP 12 HA TRP 12 -2.563 -5.941 7.121 67 HB2 TRP 12 1HB TRP 12 -2.922 -7.416 5.336 68 HB3 TRP 12 2HB TRP 12 -1.235 -6.948 5.248 69 HD1 TRP 12 HD TRP 12 0.598 -8.906 5.713 70 HE1 TRP 12 1HE TRP 12 0.530 -11.544 5.753 71 HE3 TRP 12 3HE TRP 12 -4.464 -9.296 5.998 72 HZ2 TRP 12 2HZ TRP 12 -1.585 -13.454 5.897 73 HZ3 TRP 12 3HZ TRP 12 -5.450 -11.584 6.085 74 HH2 TRP 12 HH TRP 12 -4.097 -13.619 6.038 75 H THR 13 H THR 13 -4.521 -6.653 7.991 76 HA THR 13 HA THR 13 -4.487 -9.173 9.480 77 HB THR 13 HB THR 13 -5.356 -8.070 11.476 78 HG1 THR 13 1HG THR 13 -5.113 -5.637 9.861 79 HG21 THR 13 1HG2 THR 13 -3.130 -6.317 10.307 80 HG22 THR 13 2HG2 THR 13 -3.604 -6.380 12.022 81 HG23 THR 13 3HG2 THR 13 -2.872 -7.806 11.247 82 H GLN 14 H GLN 14 -7.043 -9.027 10.567 83 HA GLN 14 HA GLN 14 -8.963 -8.077 8.848 84 HB2 GLN 14 1HB GLN 14 -9.656 -10.045 7.586 85 HB3 GLN 14 2HB GLN 14 -7.977 -9.701 7.220 86 HG2 GLN 14 1HG GLN 14 -8.368 -11.524 9.542 87 HG3 GLN 14 2HG GLN 14 -8.946 -12.169 8.018 88 HE21 GLN 14 1HE2 GLN 14 -7.470 -13.586 7.425 89 HE22 GLN 14 2HE2 GLN 14 -5.774 -13.292 7.228 90 H THR 15 H THR 15 -11.182 -9.177 9.319 91 HA THR 15 HA THR 15 -11.114 -10.501 11.942 92 HB THR 15 HB THR 15 -11.558 -8.147 12.400 93 HG1 THR 15 1HG THR 15 -13.002 -9.700 13.420 94 HG21 THR 15 1HG2 THR 15 -13.089 -6.799 11.213 95 HG22 THR 15 2HG2 THR 15 -12.408 -7.777 9.890 96 HG23 THR 15 3HG2 THR 15 -13.988 -8.203 10.589 97 H LEU 16 H LEU 16 -11.220 -12.136 9.880 98 HA LEU 16 HA LEU 16 -12.446 -13.562 8.698 99 HB2 LEU 16 1HB LEU 16 -14.008 -13.304 11.257 100 HB3 LEU 16 2HB LEU 16 -14.471 -14.441 10.007 101 HG LEU 16 HG LEU 16 -12.800 -14.993 12.081 102 HD11 LEU 16 1HD1 LEU 16 -12.396 -16.425 9.472 103 HD12 LEU 16 2HD1 LEU 16 -12.539 -17.080 11.121 104 HD13 LEU 16 3HD1 LEU 16 -13.980 -16.457 10.282 105 HD21 LEU 16 1HD2 LEU 16 -10.991 -14.427 9.715 106 HD22 LEU 16 2HD2 LEU 16 -11.042 -13.509 11.238 107 HD23 LEU 16 3HD2 LEU 16 -10.519 -15.210 11.242 108 H ALA 17 H ALA 17 -12.909 -10.643 8.221 109 HA ALA 17 HA ALA 17 -15.130 -10.952 6.490 110 HB1 ALA 17 1HB ALA 17 -16.783 -9.734 7.545 111 HB2 ALA 17 2HB ALA 17 -16.020 -10.485 8.967 112 HB3 ALA 17 3HB ALA 17 -15.625 -8.806 8.528 113 H GLU 18 H GLU 18 -13.683 -8.208 8.391 114 HA GLU 18 HA GLU 18 -13.176 -6.889 5.888 115 HB2 GLU 18 1HB GLU 18 -12.926 -6.040 8.799 116 HB3 GLU 18 2HB GLU 18 -12.373 -5.022 7.485 117 HG2 GLU 18 1HG GLU 18 -14.631 -4.975 6.500 118 HG3 GLU 18 2HG GLU 18 -15.212 -6.129 7.685 119 H LEU 19 H LEU 19 -11.031 -6.031 5.305 120 HA LEU 19 HA LEU 19 -8.865 -7.570 6.558 121 HB2 LEU 19 1HB LEU 19 -9.747 -7.419 3.781 122 HB3 LEU 19 2HB LEU 19 -8.052 -7.016 3.970 123 HG LEU 19 HG LEU 19 -9.030 -9.473 5.352 124 HD11 LEU 19 1HD1 LEU 19 -8.402 -9.570 2.403 125 HD12 LEU 19 2HD1 LEU 19 -9.092 -10.838 3.444 126 HD13 LEU 19 3HD1 LEU 19 -10.065 -9.411 3.016 127 HD21 LEU 19 1HD2 LEU 19 -6.517 -9.057 3.731 128 HD22 LEU 19 2HD2 LEU 19 -6.661 -8.548 5.430 129 HD23 LEU 19 3HD2 LEU 19 -6.841 -10.265 4.998 130 H ASP 20 H ASP 20 -7.268 -6.359 7.434 131 HA ASP 20 HA ASP 20 -7.294 -3.544 6.700 132 HB2 ASP 20 1HB ASP 20 -6.966 -5.025 9.222 133 HB3 ASP 20 2HB ASP 20 -5.652 -3.894 8.973 134 H LEU 21 H LEU 21 -5.387 -2.657 5.799 135 HA LEU 21 HA LEU 21 -2.956 -4.266 5.966 136 HB2 LEU 21 1HB LEU 21 -3.772 -5.001 3.911 137 HB3 LEU 21 2HB LEU 21 -4.389 -3.421 3.470 138 HG LEU 21 HG LEU 21 -2.397 -4.127 2.170 139 HD11 LEU 21 1HD1 LEU 21 -1.772 -1.992 1.889 140 HD12 LEU 21 2HD1 LEU 21 -3.038 -1.643 3.090 141 HD13 LEU 21 3HD1 LEU 21 -1.339 -1.780 3.602 142 HD21 LEU 21 1HD2 LEU 21 -1.382 -5.161 4.403 143 HD22 LEU 21 2HD2 LEU 21 -0.358 -4.617 3.052 144 HD23 LEU 21 3HD2 LEU 21 -0.590 -3.569 4.472 145 H ALA 22 H ALA 22 -1.112 -3.054 6.259 146 HA ALA 22 HA ALA 22 -1.328 -0.178 5.797 147 HB1 ALA 22 1HB ALA 22 -0.630 0.376 8.004 148 HB2 ALA 22 2HB ALA 22 -1.932 -0.819 8.211 149 HB3 ALA 22 3HB ALA 22 -0.232 -1.315 8.389 150 H VAL 23 H VAL 23 0.485 0.610 4.815 151 HA VAL 23 HA VAL 23 2.927 -0.991 5.069 152 HB VAL 23 HB VAL 23 1.942 0.213 2.482 153 HG11 VAL 23 1HG1 VAL 23 3.849 -0.531 1.533 154 HG12 VAL 23 2HG1 VAL 23 4.472 -0.534 3.200 155 HG13 VAL 23 3HG1 VAL 23 3.854 -2.039 2.479 156 HG21 VAL 23 1HG2 VAL 23 1.852 -2.554 2.196 157 HG22 VAL 23 2HG2 VAL 23 1.134 -2.266 3.799 158 HG23 VAL 23 3HG2 VAL 23 0.458 -1.460 2.364 159 HA PRO 24 HA PRO 24 4.076 3.149 6.061 160 HB2 PRO 24 1HB PRO 24 6.302 2.511 7.512 161 HB3 PRO 24 2HB PRO 24 4.701 2.624 8.214 162 HG2 PRO 24 1HG PRO 24 6.275 0.206 7.571 163 HG3 PRO 24 2HG PRO 24 4.893 0.365 8.637 164 HD2 PRO 24 1HD PRO 24 4.900 -0.740 5.990 165 HD3 PRO 24 2HD PRO 24 3.501 -0.475 7.012 166 H PHE 25 H PHE 25 5.518 4.699 5.286 167 HA PHE 25 HA PHE 25 7.473 3.509 3.447 168 HB2 PHE 25 1HB PHE 25 5.619 5.951 3.219 169 HB3 PHE 25 2HB PHE 25 6.939 5.676 2.100 170 HD1 PHE 25 1HD PHE 25 6.333 2.506 2.363 171 HD2 PHE 25 2HD PHE 25 4.113 5.945 1.245 172 HE1 PHE 25 1HE PHE 25 4.834 1.077 0.946 173 HE2 PHE 25 2HE PHE 25 2.613 4.516 -0.173 174 HZ PHE 25 HZ PHE 25 2.992 2.099 -0.305 175 H ARG 26 H ARG 26 9.200 5.233 2.793 176 HA ARG 26 HA ARG 26 9.983 6.505 5.277 177 HB2 ARG 26 1HB ARG 26 11.470 5.377 2.902 178 HB3 ARG 26 2HB ARG 26 12.234 6.682 3.788 179 HG2 ARG 26 1HG ARG 26 11.108 4.648 5.599 180 HG3 ARG 26 2HG ARG 26 12.262 3.951 4.479 181 HD2 ARG 26 1HD ARG 26 13.350 6.458 5.426 182 HD3 ARG 26 2HD ARG 26 12.795 5.551 6.819 183 HE ARG 26 HE ARG 26 14.527 4.022 6.472 184 HH11 ARG 26 2HH2 ARG 26 13.976 5.810 3.491 185 HH12 ARG 26 1HH2 ARG 26 15.336 5.116 2.673 186 HH21 ARG 26 2HH1 ARG 26 16.322 3.107 5.393 187 HH22 ARG 26 1HH1 ARG 26 16.679 3.568 3.762 188 H VAL 27 H VAL 27 8.819 8.498 5.118 189 HA VAL 27 HA VAL 27 9.826 10.265 3.012 190 HB VAL 27 HB VAL 27 7.480 11.256 2.989 191 HG11 VAL 27 1HG1 VAL 27 7.155 8.588 1.790 192 HG12 VAL 27 2HG1 VAL 27 7.177 10.197 1.028 193 HG13 VAL 27 3HG1 VAL 27 8.707 9.370 1.407 194 HG21 VAL 27 1HG2 VAL 27 6.951 9.592 5.049 195 HG22 VAL 27 2HG2 VAL 27 5.703 10.210 3.941 196 HG23 VAL 27 3HG2 VAL 27 6.385 8.584 3.696 197 H SER 28 H SER 28 9.244 12.652 3.639 198 HA SER 28 HA SER 28 9.609 12.845 6.528 199 HB2 SER 28 1HB SER 28 11.387 13.650 4.546 200 HB3 SER 28 2HB SER 28 10.538 15.141 4.902 201 HG SER 28 HG SER 28 11.048 14.067 7.289 202 H PHE 29 H PHE 29 7.337 13.146 4.193 203 HA PHE 29 HA PHE 29 6.124 15.460 5.520 204 HB2 PHE 29 1HB PHE 29 5.108 15.792 3.103 205 HB3 PHE 29 2HB PHE 29 6.770 16.290 3.354 206 HD1 PHE 29 1HD PHE 29 4.732 13.416 2.158 207 HD2 PHE 29 2HD PHE 29 8.462 15.433 1.998 208 HE1 PHE 29 1HE PHE 29 5.466 11.912 0.288 209 HE2 PHE 29 2HE PHE 29 9.195 13.929 0.128 210 HZ PHE 29 HZ PHE 29 7.688 12.186 -0.705 211 H ARG 30 H ARG 30 3.631 15.517 4.765 212 HA ARG 30 HA ARG 30 2.649 12.983 5.611 213 HB2 ARG 30 1HB ARG 30 1.589 15.757 5.297 214 HB3 ARG 30 2HB ARG 30 0.403 14.496 5.027 215 HG2 ARG 30 1HG ARG 30 0.183 14.304 7.275 216 HG3 ARG 30 2HG ARG 30 1.807 13.650 7.331 217 HD2 ARG 30 1HD ARG 30 1.381 16.657 7.256 218 HD3 ARG 30 2HD ARG 30 1.233 15.786 8.769 219 HE ARG 30 HE ARG 30 3.654 14.908 7.635 220 HH11 ARG 30 2HH2 ARG 30 2.292 17.970 8.708 221 HH12 ARG 30 1HH2 ARG 30 3.828 18.655 9.122 222 HH21 ARG 30 2HH1 ARG 30 5.681 15.810 8.182 223 HH22 ARG 30 1HH1 ARG 30 5.769 17.418 8.821 224 H LEU 31 H LEU 31 2.491 11.370 4.067 225 HA LEU 31 HA LEU 31 2.220 11.949 1.317 226 HB2 LEU 31 1HB LEU 31 2.346 9.542 3.046 227 HB3 LEU 31 2HB LEU 31 1.596 9.342 1.475 228 HG LEU 31 HG LEU 31 4.380 10.451 1.928 229 HD11 LEU 31 1HD1 LEU 31 4.951 8.332 2.332 230 HD12 LEU 31 2HD1 LEU 31 3.375 7.707 1.792 231 HD13 LEU 31 3HD1 LEU 31 4.652 8.050 0.601 232 HD21 LEU 31 1HD2 LEU 31 2.830 9.788 -0.581 233 HD22 LEU 31 2HD2 LEU 31 3.550 11.343 -0.102 234 HD23 LEU 31 3HD2 LEU 31 4.600 9.976 -0.546 235 H LYS 32 H LYS 32 0.438 12.207 0.046 236 HA LYS 32 HA LYS 32 -2.136 11.940 1.423 237 HB2 LYS 32 1HB LYS 32 -1.182 13.729 -0.817 238 HB3 LYS 32 2HB LYS 32 -2.887 13.473 -0.503 239 HG2 LYS 32 1HG LYS 32 -1.168 14.151 1.868 240 HG3 LYS 32 2HG LYS 32 -1.447 15.434 0.707 241 HD2 LYS 32 1HD LYS 32 -3.791 13.790 1.704 242 HD3 LYS 32 2HD LYS 32 -3.145 15.070 2.712 243 HE2 LYS 32 1HE LYS 32 -3.352 16.581 0.576 244 HE3 LYS 32 2HE LYS 32 -4.379 15.310 -0.057 245 HZ1 LYS 32 1HZ LYS 32 -4.963 16.190 2.623 246 HZ2 LYS 32 2HZ LYS 32 -5.282 17.263 1.434 247 HZ3 LYS 32 3HZ LYS 32 -5.983 15.789 1.413 248 H GLY 33 H GLY 33 -3.884 11.777 -0.692 249 HA2 GLY 33 1HA GLY 33 -3.305 9.084 -1.671 250 HA3 GLY 33 2HA GLY 33 -4.856 9.900 -1.646 251 H LYS 34 H LYS 34 -1.679 11.113 -2.893 252 HA LYS 34 HA LYS 34 -2.819 11.025 -5.589 253 HB2 LYS 34 1HB LYS 34 -2.012 13.284 -6.036 254 HB3 LYS 34 2HB LYS 34 -3.196 13.281 -4.745 255 HG2 LYS 34 1HG LYS 34 -1.009 13.029 -3.201 256 HG3 LYS 34 2HG LYS 34 -0.218 13.746 -4.590 257 HD2 LYS 34 1HD LYS 34 -2.688 14.952 -3.261 258 HD3 LYS 34 2HD LYS 34 -1.049 15.411 -2.843 259 HE2 LYS 34 1HE LYS 34 -1.126 16.923 -4.535 260 HE3 LYS 34 2HE LYS 34 -1.096 15.578 -5.658 261 HZ1 LYS 34 1HZ LYS 34 -3.125 17.332 -5.334 262 HZ2 LYS 34 2HZ LYS 34 -3.209 15.916 -6.143 263 HZ3 LYS 34 3HZ LYS 34 -3.678 15.993 -4.581 264 H ASP 35 H ASP 35 0.054 11.343 -3.440 265 HA ASP 35 HA ASP 35 1.762 10.669 -5.642 266 HB2 ASP 35 1HB ASP 35 2.055 12.037 -3.181 267 HB3 ASP 35 2HB ASP 35 2.976 10.561 -2.965 268 H VAL 36 H VAL 36 -0.264 8.688 -4.902 269 HA VAL 36 HA VAL 36 1.507 6.483 -4.267 270 HB VAL 36 HB VAL 36 0.870 6.690 -2.103 271 HG11 VAL 36 1HG1 VAL 36 -1.374 7.550 -1.361 272 HG12 VAL 36 2HG1 VAL 36 -0.392 8.725 -2.268 273 HG13 VAL 36 3HG1 VAL 36 -1.744 7.889 -3.069 274 HG21 VAL 36 1HG2 VAL 36 -1.086 5.207 -1.611 275 HG22 VAL 36 2HG2 VAL 36 -1.460 5.198 -3.351 276 HG23 VAL 36 3HG2 VAL 36 0.076 4.513 -2.767 277 H VAL 37 H VAL 37 0.294 4.338 -4.646 278 HA VAL 37 HA VAL 37 -1.904 4.695 -6.536 279 HB VAL 37 HB VAL 37 0.711 3.279 -7.060 280 HG11 VAL 37 1HG1 VAL 37 -0.412 1.740 -8.228 281 HG12 VAL 37 2HG1 VAL 37 -1.957 2.588 -7.979 282 HG13 VAL 37 3HG1 VAL 37 -0.904 3.040 -9.341 283 HG21 VAL 37 1HG2 VAL 37 1.017 4.781 -8.835 284 HG22 VAL 37 2HG2 VAL 37 -0.695 5.265 -8.849 285 HG23 VAL 37 3HG2 VAL 37 0.370 5.797 -7.526 286 H VAL 38 H VAL 38 -3.432 3.787 -5.170 287 HA VAL 38 HA VAL 38 -2.793 1.089 -4.198 288 HB VAL 38 HB VAL 38 -4.589 3.265 -3.131 289 HG11 VAL 38 1HG1 VAL 38 -4.686 0.315 -2.697 290 HG12 VAL 38 2HG1 VAL 38 -4.869 1.359 -1.267 291 HG13 VAL 38 3HG1 VAL 38 -5.987 1.529 -2.641 292 HG21 VAL 38 1HG2 VAL 38 -2.334 3.553 -2.415 293 HG22 VAL 38 2HG2 VAL 38 -3.214 2.827 -1.049 294 HG23 VAL 38 3HG2 VAL 38 -2.151 1.818 -2.060 295 H ASP 39 H ASP 39 -3.489 -0.280 -5.799 296 HA ASP 39 HA ASP 39 -5.978 0.359 -7.099 297 HB2 ASP 39 1HB ASP 39 -3.683 -0.689 -8.077 298 HB3 ASP 39 2HB ASP 39 -4.462 -2.192 -7.623 299 H ILE 40 H ILE 40 -7.831 -0.358 -6.027 300 HA ILE 40 HA ILE 40 -7.605 -2.827 -4.468 301 HB ILE 40 HB ILE 40 -9.542 -0.517 -4.347 302 HG12 ILE 40 1HG1 ILE 40 -7.412 -1.521 -2.438 303 HG13 ILE 40 2HG1 ILE 40 -7.380 -0.028 -3.355 304 HG21 ILE 40 1HG2 ILE 40 -10.051 -3.219 -3.693 305 HG22 ILE 40 2HG2 ILE 40 -9.819 -2.352 -2.156 306 HG23 ILE 40 3HG2 ILE 40 -11.041 -1.787 -3.321 307 HD11 ILE 40 1HD1 ILE 40 -9.696 0.444 -2.143 308 HD12 ILE 40 2HD1 ILE 40 -9.096 -0.761 -0.979 309 HD13 ILE 40 3HD1 ILE 40 -8.164 0.725 -1.281 310 H GLN 41 H GLN 41 -7.973 -4.533 -5.823 311 HA GLN 41 HA GLN 41 -10.229 -4.246 -7.637 312 HB2 GLN 41 1HB GLN 41 -7.663 -5.784 -7.710 313 HB3 GLN 41 2HB GLN 41 -9.054 -6.577 -8.420 314 HG2 GLN 41 1HG GLN 41 -8.301 -3.707 -9.116 315 HG3 GLN 41 2HG GLN 41 -7.636 -5.077 -9.983 316 HE21 GLN 41 1HE2 GLN 41 -9.017 -6.477 -11.138 317 HE22 GLN 41 2HE2 GLN 41 -10.566 -5.962 -11.718 318 H ARG 42 H ARG 42 -11.164 -6.720 -8.076 319 HA ARG 42 HA ARG 42 -12.525 -7.277 -5.719 320 HB2 ARG 42 1HB ARG 42 -13.367 -7.695 -8.074 321 HB3 ARG 42 2HB ARG 42 -12.242 -9.032 -8.211 322 HG2 ARG 42 1HG ARG 42 -14.369 -9.984 -7.581 323 HG3 ARG 42 2HG ARG 42 -13.341 -10.079 -6.166 324 HD2 ARG 42 1HD ARG 42 -15.069 -9.061 -5.067 325 HD3 ARG 42 2HD ARG 42 -14.494 -7.585 -5.816 326 HE ARG 42 HE ARG 42 -16.334 -9.164 -7.489 327 HH11 ARG 42 2HH2 ARG 42 -16.022 -6.580 -5.121 328 HH12 ARG 42 1HH2 ARG 42 -17.538 -5.849 -5.529 329 HH21 ARG 42 2HH1 ARG 42 -18.335 -8.199 -8.029 330 HH22 ARG 42 1HH1 ARG 42 -18.863 -6.776 -7.194 331 H ARG 43 H ARG 43 -9.911 -9.026 -7.532 332 HA ARG 43 HA ARG 43 -9.301 -10.365 -5.031 333 HB2 ARG 43 1HB ARG 43 -10.511 -11.718 -7.085 334 HB3 ARG 43 2HB ARG 43 -8.836 -11.914 -7.562 335 HG2 ARG 43 1HG ARG 43 -8.268 -13.097 -5.584 336 HG3 ARG 43 2HG ARG 43 -9.637 -12.463 -4.691 337 HD2 ARG 43 1HD ARG 43 -11.084 -14.065 -5.501 338 HD3 ARG 43 2HD ARG 43 -10.387 -14.034 -7.108 339 HE ARG 43 HE ARG 43 -8.461 -15.188 -5.347 340 HH11 ARG 43 2HH2 ARG 43 -11.621 -15.931 -6.707 341 HH12 ARG 43 1HH2 ARG 43 -11.391 -17.646 -6.634 342 HH21 ARG 43 2HH1 ARG 43 -8.157 -17.451 -5.251 343 HH22 ARG 43 1HH1 ARG 43 -9.407 -18.517 -5.801 344 H HIS 44 H HIS 44 -7.909 -8.151 -5.544 345 HA HIS 44 HA HIS 44 -5.296 -9.034 -5.907 346 HB2 HIS 44 1HB HIS 44 -6.242 -9.046 -8.320 347 HB3 HIS 44 2HB HIS 44 -6.161 -7.299 -8.216 348 HD1 HIS 44 1HD HIS 44 -3.570 -6.484 -7.270 349 HD2 HIS 44 2HD HIS 44 -3.967 -10.078 -9.395 350 HE1 HIS 44 1HE HIS 44 -1.248 -7.043 -8.169 351 H LEU 45 H LEU 45 -3.881 -7.524 -5.021 352 HA LEU 45 HA LEU 45 -4.990 -4.846 -4.584 353 HB2 LEU 45 1HB LEU 45 -5.101 -6.591 -2.615 354 HB3 LEU 45 2HB LEU 45 -3.405 -6.190 -2.436 355 HG LEU 45 HG LEU 45 -3.866 -3.931 -1.912 356 HD11 LEU 45 1HD1 LEU 45 -6.501 -4.462 -3.209 357 HD12 LEU 45 2HD1 LEU 45 -6.431 -3.249 -1.908 358 HD13 LEU 45 3HD1 LEU 45 -5.407 -3.065 -3.352 359 HD21 LEU 45 1HD2 LEU 45 -4.623 -4.299 0.158 360 HD22 LEU 45 2HD2 LEU 45 -6.195 -4.903 -0.420 361 HD23 LEU 45 3HD2 LEU 45 -4.792 -5.996 -0.352 362 H ARG 46 H ARG 46 -3.664 -3.335 -5.424 363 HA ARG 46 HA ARG 46 -0.844 -4.052 -5.530 364 HB2 ARG 46 1HB ARG 46 -2.313 -3.844 -7.760 365 HB3 ARG 46 2HB ARG 46 -2.073 -2.124 -7.520 366 HG2 ARG 46 1HG ARG 46 0.439 -2.588 -7.351 367 HG3 ARG 46 2HG ARG 46 0.105 -4.242 -7.820 368 HD2 ARG 46 1HD ARG 46 -0.643 -1.782 -9.476 369 HD3 ARG 46 2HD ARG 46 0.758 -2.794 -9.770 370 HE ARG 46 HE ARG 46 -1.605 -4.436 -9.674 371 HH11 ARG 46 2HH2 ARG 46 0.024 -2.094 -11.734 372 HH12 ARG 46 1HH2 ARG 46 -0.652 -2.722 -13.200 373 HH21 ARG 46 2HH1 ARG 46 -2.497 -5.265 -11.608 374 HH22 ARG 46 1HH1 ARG 46 -2.096 -4.537 -13.128 375 H VAL 47 H VAL 47 0.312 -2.739 -4.154 376 HA VAL 47 HA VAL 47 -0.612 0.039 -3.892 377 HB VAL 47 HB VAL 47 0.570 -1.762 -1.768 378 HG11 VAL 47 1HG1 VAL 47 -0.539 0.526 -0.584 379 HG12 VAL 47 2HG1 VAL 47 1.188 0.129 -0.752 380 HG13 VAL 47 3HG1 VAL 47 0.381 1.128 -1.984 381 HG21 VAL 47 1HG2 VAL 47 -2.247 -0.759 -2.255 382 HG22 VAL 47 2HG2 VAL 47 -1.682 -2.440 -2.104 383 HG23 VAL 47 3HG2 VAL 47 -1.697 -1.375 -0.678 384 H GLY 48 H GLY 48 1.044 1.647 -3.714 385 HA2 GLY 48 1HA GLY 48 3.724 1.338 -3.450 386 HA3 GLY 48 2HA GLY 48 3.450 0.938 -5.134 387 H LEU 49 H LEU 49 4.937 3.245 -4.120 388 HA LEU 49 HA LEU 49 3.216 5.521 -4.405 389 HB2 LEU 49 1HB LEU 49 6.229 5.340 -4.275 390 HB3 LEU 49 2HB LEU 49 5.270 6.800 -4.130 391 HG LEU 49 HG LEU 49 5.857 6.271 -1.936 392 HD11 LEU 49 1HD1 LEU 49 3.180 4.897 -2.040 393 HD12 LEU 49 2HD1 LEU 49 3.829 6.019 -0.820 394 HD13 LEU 49 3HD1 LEU 49 3.348 6.627 -2.422 395 HD21 LEU 49 1HD2 LEU 49 6.594 3.901 -2.614 396 HD22 LEU 49 2HD2 LEU 49 6.005 4.159 -0.954 397 HD23 LEU 49 3HD2 LEU 49 4.942 3.409 -2.169 398 H LYS 50 H LYS 50 2.841 6.748 -6.215 399 HA LYS 50 HA LYS 50 2.956 5.728 -8.685 400 HB2 LYS 50 1HB LYS 50 2.104 8.058 -7.625 401 HB3 LYS 50 2HB LYS 50 3.502 8.648 -8.500 402 HG2 LYS 50 1HG LYS 50 2.669 7.892 -10.603 403 HG3 LYS 50 2HG LYS 50 1.543 6.772 -9.862 404 HD2 LYS 50 1HD LYS 50 0.676 9.167 -8.790 405 HD3 LYS 50 2HD LYS 50 1.257 9.698 -10.355 406 HE2 LYS 50 1HE LYS 50 -0.286 8.355 -11.542 407 HE3 LYS 50 2HE LYS 50 -0.495 7.234 -10.211 408 HZ1 LYS 50 1HZ LYS 50 -1.795 8.771 -9.070 409 HZ2 LYS 50 2HZ LYS 50 -1.346 10.029 -10.009 410 HZ3 LYS 50 3HZ LYS 50 -2.326 8.870 -10.612 411 H GLY 51 H GLY 51 4.414 5.397 -10.330 412 HA2 GLY 51 1HA GLY 51 6.373 5.530 -11.475 413 HA3 GLY 51 2HA GLY 51 6.979 6.706 -10.326 414 H GLN 52 H GLN 52 6.665 5.280 -7.870 415 HA GLN 52 HA GLN 52 8.960 3.662 -8.032 416 HB2 GLN 52 1HB GLN 52 7.135 4.676 -5.909 417 HB3 GLN 52 2HB GLN 52 7.932 3.162 -5.528 418 HG2 GLN 52 1HG GLN 52 9.701 5.237 -6.744 419 HG3 GLN 52 2HG GLN 52 9.066 5.647 -5.163 420 HE21 GLN 52 1HE2 GLN 52 9.210 3.929 -3.482 421 HE22 GLN 52 2HE2 GLN 52 10.651 2.971 -3.404 422 HA PRO 53 HA PRO 53 7.203 -0.304 -8.281 423 HB2 PRO 53 1HB PRO 53 8.563 -1.834 -6.471 424 HB3 PRO 53 2HB PRO 53 9.222 -1.381 -8.030 425 HG2 PRO 53 1HG PRO 53 9.889 -0.314 -5.354 426 HG3 PRO 53 2HG PRO 53 10.806 -0.196 -6.843 427 HD2 PRO 53 1HD PRO 53 9.224 1.868 -5.632 428 HD3 PRO 53 2HD PRO 53 10.046 1.948 -7.178 429 HA PRO 54 HA PRO 54 4.013 -0.866 -5.539 430 HB2 PRO 54 1HB PRO 54 3.017 -3.280 -6.343 431 HB3 PRO 54 2HB PRO 54 2.644 -1.772 -7.153 432 HG2 PRO 54 1HG PRO 54 4.460 -3.939 -8.015 433 HG3 PRO 54 2HG PRO 54 3.753 -2.654 -8.973 434 HD2 PRO 54 1HD PRO 54 6.454 -2.795 -8.016 435 HD3 PRO 54 2HD PRO 54 5.714 -1.458 -8.874 436 H VAL 55 H VAL 55 4.197 -1.107 -3.412 437 HA VAL 55 HA VAL 55 5.973 -3.157 -2.489 438 HB VAL 55 HB VAL 55 5.756 -0.850 -1.541 439 HG11 VAL 55 1HG1 VAL 55 3.118 -1.128 -1.607 440 HG12 VAL 55 2HG1 VAL 55 3.378 -1.753 0.039 441 HG13 VAL 55 3HG1 VAL 55 3.915 -0.110 -0.384 442 HG21 VAL 55 1HG2 VAL 55 6.853 -1.823 0.139 443 HG22 VAL 55 2HG2 VAL 55 5.292 -2.181 0.914 444 HG23 VAL 55 3HG2 VAL 55 6.038 -3.373 -0.176 445 H VAL 56 H VAL 56 2.927 -3.319 -3.738 446 HA VAL 56 HA VAL 56 2.398 -5.763 -2.298 447 HB VAL 56 HB VAL 56 0.275 -3.622 -2.401 448 HG11 VAL 56 1HG1 VAL 56 -0.327 -5.361 -0.353 449 HG12 VAL 56 2HG1 VAL 56 -1.002 -5.428 -1.999 450 HG13 VAL 56 3HG1 VAL 56 0.398 -6.440 -1.569 451 HG21 VAL 56 1HG2 VAL 56 2.081 -4.349 -0.069 452 HG22 VAL 56 2HG2 VAL 56 2.077 -2.810 -0.964 453 HG23 VAL 56 3HG2 VAL 56 0.663 -3.276 0.012 454 H ASP 57 H ASP 57 1.478 -7.278 -3.646 455 HA ASP 57 HA ASP 57 -0.158 -6.584 -5.781 456 HB2 ASP 57 1HB ASP 57 1.852 -5.755 -6.878 457 HB3 ASP 57 2HB ASP 57 2.761 -7.183 -6.425 458 H GLY 58 H GLY 58 -1.361 -8.475 -6.095 459 HA2 GLY 58 1HA GLY 58 -0.491 -10.992 -6.600 460 HA3 GLY 58 2HA GLY 58 -0.475 -10.919 -4.849 461 H GLU 59 H GLU 59 -2.216 -12.600 -6.485 462 HA GLU 59 HA GLU 59 -4.759 -11.341 -6.536 463 HB2 GLU 59 1HB GLU 59 -4.228 -13.056 -8.188 464 HB3 GLU 59 2HB GLU 59 -3.874 -14.229 -6.935 465 HG2 GLU 59 1HG GLU 59 -6.204 -14.283 -6.214 466 HG3 GLU 59 2HG GLU 59 -6.611 -12.914 -7.230 467 H LEU 60 H LEU 60 -5.763 -10.836 -4.628 468 HA LEU 60 HA LEU 60 -5.230 -11.765 -2.165 469 HB2 LEU 60 1HB LEU 60 -7.859 -10.909 -3.368 470 HB3 LEU 60 2HB LEU 60 -7.651 -11.215 -1.655 471 HG LEU 60 HG LEU 60 -5.942 -9.220 -3.150 472 HD11 LEU 60 1HD1 LEU 60 -8.629 -8.781 -1.829 473 HD12 LEU 60 2HD1 LEU 60 -7.481 -7.474 -2.206 474 HD13 LEU 60 3HD1 LEU 60 -8.170 -8.459 -3.518 475 HD21 LEU 60 1HD2 LEU 60 -5.731 -10.288 -0.598 476 HD22 LEU 60 2HD2 LEU 60 -4.967 -8.794 -1.194 477 HD23 LEU 60 3HD2 LEU 60 -6.527 -8.717 -0.340 478 H TYR 61 H TYR 61 -6.528 -13.246 -0.698 479 HA TYR 61 HA TYR 61 -6.414 -15.847 -1.698 480 HB2 TYR 61 1HB TYR 61 -6.285 -14.944 0.716 481 HB3 TYR 61 2HB TYR 61 -8.005 -14.619 0.640 482 HD1 TYR 61 1HD TYR 61 -5.501 -17.380 0.460 483 HD2 TYR 61 2HD TYR 61 -9.578 -16.298 1.177 484 HE1 TYR 61 1HE TYR 61 -5.989 -19.736 1.283 485 HE2 TYR 61 2HE TYR 61 -10.052 -18.657 1.996 486 HH TYR 61 HH TYR 61 -9.270 -20.746 2.011 487 H ASN 62 H ASN 62 -9.003 -13.424 -1.675 488 HA ASN 62 HA ASN 62 -10.529 -15.091 -3.377 489 HB2 ASN 62 1HB ASN 62 -11.073 -15.671 -0.806 490 HB3 ASN 62 2HB ASN 62 -12.029 -14.205 -0.895 491 HD21 ASN 62 1HD2 ASN 62 -14.059 -14.520 -1.340 492 HD22 ASN 62 2HD2 ASN 62 -14.743 -15.752 -2.348 493 H GLU 63 H GLU 63 -12.870 -13.795 -3.632 494 HA GLU 63 HA GLU 63 -12.149 -11.260 -4.521 495 HB2 GLU 63 1HB GLU 63 -14.865 -12.571 -4.087 496 HB3 GLU 63 2HB GLU 63 -14.677 -11.000 -4.842 497 HG2 GLU 63 1HG GLU 63 -13.176 -12.029 -6.576 498 HG3 GLU 63 2HG GLU 63 -13.408 -13.599 -5.832 499 H VAL 64 H VAL 64 -12.998 -9.137 -3.808 500 HA VAL 64 HA VAL 64 -14.016 -9.050 -1.094 501 HB VAL 64 HB VAL 64 -12.246 -7.365 -0.497 502 HG11 VAL 64 1HG1 VAL 64 -11.230 -10.181 -1.002 503 HG12 VAL 64 2HG1 VAL 64 -10.651 -9.034 0.230 504 HG13 VAL 64 3HG1 VAL 64 -12.294 -9.711 0.345 505 HG21 VAL 64 1HG2 VAL 64 -10.572 -8.617 -2.674 506 HG22 VAL 64 2HG2 VAL 64 -11.524 -7.142 -2.970 507 HG23 VAL 64 3HG2 VAL 64 -10.259 -7.149 -1.718 508 H LYS 65 H LYS 65 -15.384 -7.309 -0.783 509 HA LYS 65 HA LYS 65 -16.411 -6.032 -3.005 510 HB2 LYS 65 1HB LYS 65 -17.209 -6.356 -0.458 511 HB3 LYS 65 2HB LYS 65 -16.648 -4.699 -0.349 512 HG2 LYS 65 1HG LYS 65 -18.533 -3.981 -1.377 513 HG3 LYS 65 2HG LYS 65 -18.122 -4.912 -2.803 514 HD2 LYS 65 1HD LYS 65 -19.221 -6.921 -1.847 515 HD3 LYS 65 2HD LYS 65 -19.566 -6.053 -0.364 516 HE2 LYS 65 1HE LYS 65 -20.575 -5.102 -3.081 517 HE3 LYS 65 2HE LYS 65 -21.491 -6.206 -2.075 518 HZ1 LYS 65 1HZ LYS 65 -22.210 -4.081 -1.528 519 HZ2 LYS 65 2HZ LYS 65 -21.227 -4.489 -0.289 520 HZ3 LYS 65 3HZ LYS 65 -20.702 -3.459 -1.443 521 H VAL 66 H VAL 66 -15.257 -4.777 -4.382 522 HA VAL 66 HA VAL 66 -13.136 -3.125 -3.335 523 HB VAL 66 HB VAL 66 -12.463 -2.880 -5.530 524 HG11 VAL 66 1HG1 VAL 66 -12.584 -5.101 -6.572 525 HG12 VAL 66 2HG1 VAL 66 -12.312 -5.225 -4.817 526 HG13 VAL 66 3HG1 VAL 66 -13.928 -5.541 -5.492 527 HG21 VAL 66 1HG2 VAL 66 -14.620 -1.963 -6.363 528 HG22 VAL 66 2HG2 VAL 66 -13.859 -3.101 -7.500 529 HG23 VAL 66 3HG2 VAL 66 -15.240 -3.626 -6.506 530 H GLU 67 H GLU 67 -16.532 -2.886 -4.208 531 HA GLU 67 HA GLU 67 -16.509 -0.129 -4.734 532 HB2 GLU 67 1HB GLU 67 -18.621 -2.205 -4.159 533 HB3 GLU 67 2HB GLU 67 -19.076 -0.513 -4.097 534 HG2 GLU 67 1HG GLU 67 -18.070 -0.223 -6.417 535 HG3 GLU 67 2HG GLU 67 -17.799 -1.954 -6.469 536 H GLU 68 H GLU 68 -16.859 -2.143 -1.799 537 HA GLU 68 HA GLU 68 -17.491 0.200 -0.247 538 HB2 GLU 68 1HB GLU 68 -17.308 -2.766 0.390 539 HB3 GLU 68 2HB GLU 68 -17.484 -1.568 1.657 540 HG2 GLU 68 1HG GLU 68 -19.414 -0.917 -0.365 541 HG3 GLU 68 2HG GLU 68 -19.518 -2.648 -0.108 542 H SER 69 H SER 69 -14.734 -1.520 -1.369 543 HA SER 69 HA SER 69 -13.034 -1.507 0.737 544 HB2 SER 69 1HB SER 69 -12.835 -1.544 -2.181 545 HB3 SER 69 2HB SER 69 -11.482 -0.674 -1.484 546 HG SER 69 HG SER 69 -11.183 -2.569 -0.032 547 H SER 70 H SER 70 -11.213 0.022 1.288 548 HA SER 70 HA SER 70 -11.350 2.671 0.366 549 HB2 SER 70 1HB SER 70 -11.918 3.668 2.660 550 HB3 SER 70 2HB SER 70 -13.259 2.992 1.756 551 HG SER 70 HG SER 70 -13.489 1.378 3.193 552 H TRP 71 H TRP 71 -9.311 3.561 0.653 553 HA TRP 71 HA TRP 71 -7.639 2.338 2.739 554 HB2 TRP 71 1HB TRP 71 -5.763 2.317 1.281 555 HB3 TRP 71 2HB TRP 71 -7.076 1.455 0.504 556 HD1 TRP 71 HD TRP 71 -8.258 2.745 -1.648 557 HE1 TRP 71 1HE TRP 71 -7.388 4.538 -3.378 558 HE3 TRP 71 3HE TRP 71 -4.280 4.264 1.130 559 HZ2 TRP 71 2HZ TRP 71 -5.183 6.350 -3.390 560 HZ3 TRP 71 3HZ TRP 71 -2.818 6.049 0.187 561 HH2 TRP 71 HH TRP 71 -3.217 7.084 -1.991 562 H LEU 72 H LEU 72 -5.837 3.844 3.427 563 HA LEU 72 HA LEU 72 -6.102 6.598 2.692 564 HB2 LEU 72 1HB LEU 72 -6.694 7.438 4.877 565 HB3 LEU 72 2HB LEU 72 -7.969 6.434 4.216 566 HG LEU 72 HG LEU 72 -7.912 5.813 6.447 567 HD11 LEU 72 1HD1 LEU 72 -7.280 3.541 6.510 568 HD12 LEU 72 2HD1 LEU 72 -7.684 3.883 4.811 569 HD13 LEU 72 3HD1 LEU 72 -5.981 3.783 5.317 570 HD21 LEU 72 1HD2 LEU 72 -5.994 7.006 7.209 571 HD22 LEU 72 2HD2 LEU 72 -5.789 5.304 7.689 572 HD23 LEU 72 3HD2 LEU 72 -4.892 5.949 6.293 573 H ILE 73 H ILE 73 -4.604 7.881 4.484 574 HA ILE 73 HA ILE 73 -2.249 6.162 4.846 575 HB ILE 73 HB ILE 73 -2.267 9.048 3.956 576 HG12 ILE 73 1HG1 ILE 73 -1.458 6.671 2.279 577 HG13 ILE 73 2HG1 ILE 73 -3.106 7.265 2.295 578 HG21 ILE 73 1HG2 ILE 73 0.070 8.935 3.827 579 HG22 ILE 73 2HG2 ILE 73 -0.330 8.174 5.385 580 HG23 ILE 73 3HG2 ILE 73 0.087 7.162 3.981 581 HD11 ILE 73 1HD1 ILE 73 -1.604 8.232 0.464 582 HD12 ILE 73 2HD1 ILE 73 -2.444 9.435 1.472 583 HD13 ILE 73 3HD1 ILE 73 -0.722 9.085 1.754 584 H GLU 74 H GLU 74 -2.027 5.833 6.994 585 HA GLU 74 HA GLU 74 -3.149 7.640 8.840 586 HB2 GLU 74 1HB GLU 74 -1.594 5.078 8.957 587 HB3 GLU 74 2HB GLU 74 -1.579 6.072 10.400 588 HG2 GLU 74 1HG GLU 74 -4.289 6.017 9.428 589 HG3 GLU 74 2HG GLU 74 -3.697 4.367 9.414 590 H ASP 75 H ASP 75 -2.215 9.332 9.967 591 HA ASP 75 HA ASP 75 -0.800 10.927 10.385 592 HB2 ASP 75 1HB ASP 75 0.556 8.423 11.016 593 HB3 ASP 75 2HB ASP 75 1.739 9.615 10.517 594 H GLY 76 H GLY 76 -1.109 9.899 7.495 595 HA2 GLY 76 1HA GLY 76 -0.189 10.163 5.453 596 HA3 GLY 76 2HA GLY 76 0.410 11.674 6.108 597 H LYS 77 H LYS 77 1.211 8.148 6.566 598 HA LYS 77 HA LYS 77 3.892 8.690 5.613 599 HB2 LYS 77 1HB LYS 77 4.722 7.408 7.747 600 HB3 LYS 77 2HB LYS 77 4.486 9.143 7.779 601 HG2 LYS 77 1HG LYS 77 2.215 8.833 8.759 602 HG3 LYS 77 2HG LYS 77 2.411 7.093 8.692 603 HD2 LYS 77 1HD LYS 77 4.669 7.696 10.073 604 HD3 LYS 77 2HD LYS 77 3.705 9.083 10.538 605 HE2 LYS 77 1HE LYS 77 2.319 7.830 11.862 606 HE3 LYS 77 2HE LYS 77 2.180 6.553 10.671 607 HZ1 LYS 77 1HZ LYS 77 4.595 6.935 12.291 608 HZ2 LYS 77 2HZ LYS 77 3.365 5.963 12.750 609 HZ3 LYS 77 3HZ LYS 77 4.200 5.635 11.386 610 H VAL 78 H VAL 78 1.600 6.314 7.107 611 HA VAL 78 HA VAL 78 2.711 4.314 5.268 612 HB VAL 78 HB VAL 78 2.361 2.716 6.837 613 HG11 VAL 78 1HG1 VAL 78 3.883 4.473 7.774 614 HG12 VAL 78 2HG1 VAL 78 2.496 5.124 8.680 615 HG13 VAL 78 3HG1 VAL 78 3.078 3.474 9.008 616 HG21 VAL 78 1HG2 VAL 78 0.636 2.731 8.567 617 HG22 VAL 78 2HG2 VAL 78 0.179 4.394 8.123 618 HG23 VAL 78 3HG2 VAL 78 -0.080 3.061 6.971 619 H VAL 79 H VAL 79 1.333 3.189 3.867 620 HA VAL 79 HA VAL 79 -1.219 4.505 3.449 621 HB VAL 79 HB VAL 79 0.539 2.647 1.871 622 HG11 VAL 79 1HG1 VAL 79 -1.474 1.672 1.281 623 HG12 VAL 79 2HG1 VAL 79 -2.395 3.179 1.498 624 HG13 VAL 79 3HG1 VAL 79 -1.349 2.973 0.073 625 HG21 VAL 79 1HG2 VAL 79 0.688 4.437 0.320 626 HG22 VAL 79 2HG2 VAL 79 -0.678 5.300 1.066 627 HG23 VAL 79 3HG2 VAL 79 0.872 5.172 1.931 628 H THR 80 H THR 80 -3.006 3.751 4.452 629 HA THR 80 HA THR 80 -3.022 0.917 5.222 630 HB THR 80 HB THR 80 -5.097 2.042 6.573 631 HG1 THR 80 1HG THR 80 -4.122 4.272 7.070 632 HG21 THR 80 1HG2 THR 80 -3.600 1.367 8.183 633 HG22 THR 80 2HG2 THR 80 -2.202 1.724 7.141 634 HG23 THR 80 3HG2 THR 80 -2.964 3.026 8.085 635 H VAL 81 H VAL 81 -4.443 -0.525 4.400 636 HA VAL 81 HA VAL 81 -6.482 0.591 2.600 637 HB VAL 81 HB VAL 81 -4.808 -1.905 2.254 638 HG11 VAL 81 1HG1 VAL 81 -7.399 -1.318 1.270 639 HG12 VAL 81 2HG1 VAL 81 -6.276 -1.120 -0.097 640 HG13 VAL 81 3HG1 VAL 81 -6.324 -2.657 0.801 641 HG21 VAL 81 1HG2 VAL 81 -4.844 0.639 0.597 642 HG22 VAL 81 2HG2 VAL 81 -3.610 0.236 1.815 643 HG23 VAL 81 3HG2 VAL 81 -3.795 -0.780 0.365 644 H HIS 82 H HIS 82 -8.532 -0.427 2.627 645 HA HIS 82 HA HIS 82 -8.828 -2.476 4.693 646 HB2 HIS 82 1HB HIS 82 -9.491 -0.290 5.608 647 HB3 HIS 82 2HB HIS 82 -10.620 -0.065 4.287 648 HD1 HIS 82 1HD HIS 82 -10.330 -1.526 7.647 649 HD2 HIS 82 2HD HIS 82 -12.835 -2.011 4.317 650 HE1 HIS 82 1HE HIS 82 -12.407 -2.747 8.487 651 H LEU 83 H LEU 83 -9.513 -4.308 3.715 652 HA LEU 83 HA LEU 83 -11.230 -3.980 1.357 653 HB2 LEU 83 1HB LEU 83 -9.586 -6.400 2.076 654 HB3 LEU 83 2HB LEU 83 -10.397 -6.058 0.561 655 HG LEU 83 HG LEU 83 -8.126 -5.688 0.131 656 HD11 LEU 83 1HD1 LEU 83 -9.715 -3.854 -0.593 657 HD12 LEU 83 2HD1 LEU 83 -9.087 -2.895 0.768 658 HD13 LEU 83 3HD1 LEU 83 -7.990 -3.422 -0.530 659 HD21 LEU 83 1HD2 LEU 83 -7.810 -3.870 2.518 660 HD22 LEU 83 2HD2 LEU 83 -7.539 -5.626 2.618 661 HD23 LEU 83 3HD2 LEU 83 -6.553 -4.635 1.517 662 H GLU 84 H GLU 84 -13.099 -5.348 1.146 663 HA GLU 84 HA GLU 84 -13.922 -6.438 3.725 664 HB2 GLU 84 1HB GLU 84 -15.098 -4.314 2.448 665 HB3 GLU 84 2HB GLU 84 -16.038 -5.634 1.781 666 HG2 GLU 84 1HG GLU 84 -15.546 -5.647 4.753 667 HG3 GLU 84 2HG GLU 84 -16.676 -4.462 4.128 668 H LYS 85 H LYS 85 -14.254 -8.619 3.731 669 HA LYS 85 HA LYS 85 -13.915 -10.139 1.415 670 HB2 LYS 85 1HB LYS 85 -14.978 -10.788 4.171 671 HB3 LYS 85 2HB LYS 85 -14.799 -12.002 2.921 672 HG2 LYS 85 1HG LYS 85 -12.413 -11.669 2.788 673 HG3 LYS 85 2HG LYS 85 -12.492 -10.174 3.699 674 HD2 LYS 85 1HD LYS 85 -13.193 -11.414 5.732 675 HD3 LYS 85 2HD LYS 85 -13.218 -12.917 4.833 676 HE2 LYS 85 1HE LYS 85 -10.738 -12.546 4.311 677 HE3 LYS 85 2HE LYS 85 -10.772 -11.186 5.415 678 HZ1 LYS 85 1HZ LYS 85 -11.348 -12.622 7.179 679 HZ2 LYS 85 2HZ LYS 85 -11.590 -13.897 6.188 680 HZ3 LYS 85 3HZ LYS 85 -10.082 -13.313 6.413 681 H ILE 86 H ILE 86 -15.510 -11.632 0.402 682 HA ILE 86 HA ILE 86 -18.005 -10.187 0.014 683 HB ILE 86 HB ILE 86 -16.707 -12.444 -1.516 684 HG12 ILE 86 1HG1 ILE 86 -15.670 -10.078 -1.522 685 HG13 ILE 86 2HG1 ILE 86 -15.948 -10.884 -3.053 686 HG21 ILE 86 1HG2 ILE 86 -18.466 -11.724 -3.260 687 HG22 ILE 86 2HG2 ILE 86 -18.980 -12.762 -1.908 688 HG23 ILE 86 3HG2 ILE 86 -19.334 -11.018 -1.876 689 HD11 ILE 86 1HD1 ILE 86 -18.285 -9.321 -2.116 690 HD12 ILE 86 2HD1 ILE 86 -16.832 -8.338 -2.419 691 HD13 ILE 86 3HD1 ILE 86 -17.506 -9.354 -3.717 692 H ASN 87 H ASN 87 -16.691 -13.330 1.141 693 HA ASN 87 HA ASN 87 -19.394 -14.201 1.672 694 HB2 ASN 87 1HB ASN 87 -16.741 -15.495 1.311 695 HB3 ASN 87 2HB ASN 87 -17.663 -16.184 2.633 696 HD21 ASN 87 1HD2 ASN 87 -18.711 -17.909 2.039 697 HD22 ASN 87 2HD2 ASN 87 -19.553 -18.174 0.548 698 H LYS 88 H LYS 88 -16.309 -13.213 3.213 699 HA LYS 88 HA LYS 88 -15.678 -13.055 5.350 700 HB2 LYS 88 1HB LYS 88 -17.038 -11.486 6.627 701 HB3 LYS 88 2HB LYS 88 -16.914 -10.987 4.953 702 HG2 LYS 88 1HG LYS 88 -19.151 -11.644 4.455 703 HG3 LYS 88 2HG LYS 88 -19.256 -12.694 5.854 704 HD2 LYS 88 1HD LYS 88 -19.950 -10.996 7.205 705 HD3 LYS 88 2HD LYS 88 -18.672 -9.931 6.656 706 HE2 LYS 88 1HE LYS 88 -20.371 -8.742 5.684 707 HE3 LYS 88 2HE LYS 88 -20.277 -9.953 4.421 708 HZ1 LYS 88 1HZ LYS 88 -22.442 -10.099 4.999 709 HZ2 LYS 88 2HZ LYS 88 -21.853 -11.215 6.036 710 HZ3 LYS 88 3HZ LYS 88 -22.207 -9.712 6.568 711 H MET 89 H MET 89 -16.392 -15.662 4.913 712 HA MET 89 HA MET 89 -17.979 -16.273 7.287 713 HB2 MET 89 1HB MET 89 -17.594 -17.705 4.615 714 HB3 MET 89 2HB MET 89 -18.189 -18.579 6.013 715 HG2 MET 89 1HG MET 89 -19.584 -15.995 5.530 716 HG3 MET 89 2HG MET 89 -19.779 -17.157 4.234 717 HE1 MET 89 1HE MET 89 -22.366 -16.798 7.557 718 HE2 MET 89 2HE MET 89 -21.429 -15.693 6.524 719 HE3 MET 89 3HE MET 89 -22.703 -16.712 5.811 720 H GLU 90 H GLU 90 -15.171 -17.314 5.245 721 HA GLU 90 HA GLU 90 -14.223 -18.868 7.494 722 HB2 GLU 90 1HB GLU 90 -12.659 -19.875 5.917 723 HB3 GLU 90 2HB GLU 90 -14.265 -19.896 5.215 724 HG2 GLU 90 1HG GLU 90 -13.390 -17.472 4.286 725 HG3 GLU 90 2HG GLU 90 -11.857 -18.312 4.403 726 H TRP 91 H TRP 91 -11.447 -18.768 7.126 727 HA TRP 91 HA TRP 91 -10.869 -15.914 7.540 728 HB2 TRP 91 1HB TRP 91 -10.412 -16.437 9.642 729 HB3 TRP 91 2HB TRP 91 -10.535 -18.158 9.335 730 HD1 TRP 91 HD TRP 91 -8.182 -19.426 8.608 731 HE1 TRP 91 1HE TRP 91 -5.634 -18.909 9.059 732 HE3 TRP 91 3HE TRP 91 -8.857 -14.550 9.881 733 HZ2 TRP 91 2HZ TRP 91 -4.219 -16.570 9.878 734 HZ3 TRP 91 3HZ TRP 91 -6.839 -13.220 10.493 735 HH2 TRP 91 HH TRP 91 -4.581 -14.155 10.505 736 H TRP 92 H TRP 92 -9.298 -15.133 6.182 737 HA TRP 92 HA TRP 92 -8.262 -16.750 4.148 738 HB2 TRP 92 1HB TRP 92 -7.578 -13.988 5.142 739 HB3 TRP 92 2HB TRP 92 -6.743 -14.729 3.792 740 HD1 TRP 92 HD TRP 92 -10.445 -15.544 3.914 741 HE1 TRP 92 1HE TRP 92 -11.809 -14.256 2.059 742 HE3 TRP 92 3HE TRP 92 -6.669 -12.417 2.563 743 HZ2 TRP 92 2HZ TRP 92 -11.171 -12.122 0.275 744 HZ3 TRP 92 3HZ TRP 92 -7.123 -10.761 0.756 745 HH2 TRP 92 HH TRP 92 -9.282 -10.583 -0.376 746 H ASN 93 H ASN 93 -6.259 -17.800 3.923 747 HA ASN 93 HA ASN 93 -4.964 -18.367 6.397 748 HB2 ASN 93 1HB ASN 93 -4.998 -19.462 3.623 749 HB3 ASN 93 2HB ASN 93 -3.432 -19.572 4.400 750 HD21 ASN 93 1HD2 ASN 93 -3.200 -21.576 5.050 751 HD22 ASN 93 2HD2 ASN 93 -4.318 -22.502 5.996 752 H ARG 94 H ARG 94 -4.708 -16.051 3.856 753 HA ARG 94 HA ARG 94 -2.305 -15.049 4.951 754 HB2 ARG 94 1HB ARG 94 -0.921 -15.153 2.926 755 HB3 ARG 94 2HB ARG 94 -1.418 -16.779 3.347 756 HG2 ARG 94 1HG ARG 94 -3.252 -15.286 1.505 757 HG3 ARG 94 2HG ARG 94 -1.691 -15.724 0.841 758 HD2 ARG 94 1HD ARG 94 -3.836 -17.573 1.954 759 HD3 ARG 94 2HD ARG 94 -3.136 -17.578 0.348 760 HE ARG 94 HE ARG 94 -0.937 -18.049 1.929 761 HH11 ARG 94 2HH2 ARG 94 -4.123 -19.534 1.783 762 HH12 ARG 94 1HH2 ARG 94 -3.566 -21.084 2.318 763 HH21 ARG 94 2HH1 ARG 94 -0.200 -20.094 2.634 764 HH22 ARG 94 1HH1 ARG 94 -1.319 -21.405 2.805 765 H LEU 95 H LEU 95 -1.588 -13.370 2.675 766 HA LEU 95 HA LEU 95 -3.947 -11.653 2.672 767 HB2 LEU 95 1HB LEU 95 -1.790 -10.800 3.530 768 HB3 LEU 95 2HB LEU 95 -1.076 -11.050 1.949 769 HG LEU 95 HG LEU 95 -1.657 -8.704 2.337 770 HD11 LEU 95 1HD1 LEU 95 -2.162 -8.362 0.179 771 HD12 LEU 95 2HD1 LEU 95 -2.062 -10.135 0.053 772 HD13 LEU 95 3HD1 LEU 95 -3.644 -9.345 0.259 773 HD21 LEU 95 1HD2 LEU 95 -3.800 -7.897 2.764 774 HD22 LEU 95 2HD2 LEU 95 -4.582 -9.418 2.270 775 HD23 LEU 95 3HD2 LEU 95 -3.681 -9.337 3.803 776 H VAL 96 H VAL 96 -1.439 -13.022 0.438 777 HA VAL 96 HA VAL 96 -3.478 -12.888 -1.664 778 HB VAL 96 HB VAL 96 -1.517 -12.380 -3.216 779 HG11 VAL 96 1HG1 VAL 96 -1.636 -9.868 -1.916 780 HG12 VAL 96 2HG1 VAL 96 -2.619 -10.442 -3.285 781 HG13 VAL 96 3HG1 VAL 96 -3.197 -10.669 -1.617 782 HG21 VAL 96 1HG2 VAL 96 0.372 -11.157 -2.225 783 HG22 VAL 96 2HG2 VAL 96 -0.261 -11.493 -0.596 784 HG23 VAL 96 3HG2 VAL 96 0.297 -12.832 -1.627 785 H THR 97 H THR 97 -3.574 -14.698 -2.999 786 HA THR 97 HA THR 97 -2.677 -17.108 -2.009 787 HB THR 97 HB THR 97 -3.305 -17.912 -4.334 788 HG1 THR 97 1HG THR 97 -2.614 -16.163 -5.621 789 HG21 THR 97 1HG2 THR 97 -5.072 -17.115 -2.523 790 HG22 THR 97 2HG2 THR 97 -5.251 -15.699 -3.587 791 HG23 THR 97 3HG2 THR 97 -5.605 -17.330 -4.208 792 H SER 98 H SER 98 -0.977 -14.728 -4.004 793 HA SER 98 HA SER 98 1.356 -16.422 -3.733 794 HB2 SER 98 1HB SER 98 -0.013 -16.014 -6.205 795 HB3 SER 98 2HB SER 98 1.448 -15.051 -6.294 796 HG SER 98 HG SER 98 1.149 -17.879 -6.052 797 H ASP 99 H ASP 99 3.237 -15.239 -3.263 798 HA ASP 99 HA ASP 99 2.853 -12.593 -2.459 799 HB2 ASP 99 1HB ASP 99 5.067 -12.711 -1.664 800 HB3 ASP 99 2HB ASP 99 4.566 -14.391 -1.644 801 HA PRO 100 HA PRO 100 4.146 -10.494 -6.087 802 HB2 PRO 100 1HB PRO 100 5.454 -8.292 -5.133 803 HB3 PRO 100 2HB PRO 100 3.708 -8.421 -5.186 804 HG2 PRO 100 1HG PRO 100 5.512 -8.633 -2.854 805 HG3 PRO 100 2HG PRO 100 3.785 -8.335 -2.883 806 HD2 PRO 100 1HD PRO 100 5.090 -10.807 -2.236 807 HD3 PRO 100 2HD PRO 100 3.364 -10.538 -2.378 808 H GLU 101 H GLU 101 6.955 -9.331 -4.411 809 HA GLU 101 HA GLU 101 8.506 -11.062 -6.176 810 HB2 GLU 101 1HB GLU 101 8.851 -8.136 -5.478 811 HB3 GLU 101 2HB GLU 101 10.245 -9.089 -5.947 812 HG2 GLU 101 1HG GLU 101 8.610 -9.840 -7.954 813 HG3 GLU 101 2HG GLU 101 7.834 -8.313 -7.584 814 H ILE 102 H ILE 102 9.640 -8.778 -3.635 815 HA ILE 102 HA ILE 102 11.208 -10.825 -2.446 816 HB ILE 102 HB ILE 102 10.593 -8.102 -1.315 817 HG12 ILE 102 1HG1 ILE 102 13.021 -8.110 -2.834 818 HG13 ILE 102 2HG1 ILE 102 11.726 -8.677 -3.871 819 HG21 ILE 102 1HG2 ILE 102 12.838 -10.091 -0.991 820 HG22 ILE 102 2HG2 ILE 102 13.021 -8.372 -0.567 821 HG23 ILE 102 3HG2 ILE 102 11.795 -9.366 0.255 822 HD11 ILE 102 1HD1 ILE 102 10.399 -6.625 -2.743 823 HD12 ILE 102 2HD1 ILE 102 12.055 -6.011 -2.520 824 HD13 ILE 102 3HD1 ILE 102 11.459 -6.390 -4.154 825 H ASN 103 H ASN 103 11.090 -11.277 -0.016 826 HA ASN 103 HA ASN 103 8.277 -11.677 0.620 827 HB2 ASN 103 1HB ASN 103 9.390 -13.430 2.279 828 HB3 ASN 103 2HB ASN 103 9.225 -13.838 0.582 829 HD21 ASN 103 1HD2 ASN 103 11.255 -13.947 3.098 830 HD22 ASN 103 2HD2 ASN 103 12.801 -13.908 2.318 831 H THR 104 H THR 104 11.573 -10.956 1.974 832 HA THR 104 HA THR 104 10.272 -9.334 4.047 833 HB THR 104 HB THR 104 12.146 -10.282 5.582 834 HG1 THR 104 1HG THR 104 13.348 -11.256 3.804 835 HG21 THR 104 1HG2 THR 104 10.176 -11.312 6.263 836 HG22 THR 104 2HG2 THR 104 9.709 -11.735 4.599 837 HG23 THR 104 3HG2 THR 104 10.912 -12.722 5.464 838 H LYS 105 H LYS 105 11.020 -7.308 4.156 839 HA LYS 105 HA LYS 105 13.385 -6.723 2.558 840 HB2 LYS 105 1HB LYS 105 12.617 -4.426 2.607 841 HB3 LYS 105 2HB LYS 105 11.317 -5.480 2.090 842 HG2 LYS 105 1HG LYS 105 10.356 -5.458 4.385 843 HG3 LYS 105 2HG LYS 105 11.681 -4.457 4.946 844 HD2 LYS 105 1HD LYS 105 10.177 -3.432 2.562 845 HD3 LYS 105 2HD LYS 105 9.297 -3.445 4.078 846 HE2 LYS 105 1HE LYS 105 11.597 -2.360 4.995 847 HE3 LYS 105 2HE LYS 105 11.754 -1.872 3.319 848 HZ1 LYS 105 1HZ LYS 105 10.193 -0.362 3.611 849 HZ2 LYS 105 2HZ LYS 105 9.139 -1.419 4.273 850 HZ3 LYS 105 3HZ LYS 105 10.236 -0.661 5.216 851 H LYS 106 H LYS 106 14.980 -5.114 3.455 852 HA LYS 106 HA LYS 106 15.720 -5.988 6.090 853 HB2 LYS 106 1HB LYS 106 17.547 -5.878 4.674 854 HB3 LYS 106 2HB LYS 106 17.001 -4.413 3.884 855 HG2 LYS 106 1HG LYS 106 17.915 -3.035 5.491 856 HG3 LYS 106 2HG LYS 106 17.506 -4.119 6.807 857 HD2 LYS 106 1HD LYS 106 19.380 -5.652 6.075 858 HD3 LYS 106 2HD LYS 106 19.816 -4.487 4.841 859 HE2 LYS 106 1HE LYS 106 19.678 -3.778 7.807 860 HE3 LYS 106 2HE LYS 106 21.146 -4.340 7.033 861 HZ1 LYS 106 1HZ LYS 106 20.599 -2.459 5.380 862 HZ2 LYS 106 2HZ LYS 106 19.708 -1.852 6.607 863 HZ3 LYS 106 3HZ LYS 106 21.310 -2.099 6.806 864 H ILE 107 H ILE 107 13.917 -5.155 7.332 865 HA ILE 107 HA ILE 107 12.863 -2.712 7.382 866 HB ILE 107 HB ILE 107 13.072 -3.095 10.026 867 HG12 ILE 107 1HG1 ILE 107 13.093 -5.952 9.348 868 HG13 ILE 107 2HG1 ILE 107 14.643 -5.174 9.100 869 HG21 ILE 107 1HG2 ILE 107 10.912 -3.357 9.600 870 HG22 ILE 107 2HG2 ILE 107 11.252 -3.828 7.917 871 HG23 ILE 107 3HG2 ILE 107 11.234 -5.062 9.200 872 HD11 ILE 107 1HD1 ILE 107 14.816 -5.715 11.358 873 HD12 ILE 107 2HD1 ILE 107 14.117 -4.083 11.487 874 HD13 ILE 107 3HD1 ILE 107 13.071 -5.514 11.646 875 H ASN 108 H ASN 108 15.340 -3.231 9.930 876 HA ASN 108 HA ASN 108 17.106 -1.324 8.915 877 HB2 ASN 108 1HB ASN 108 14.820 -0.245 10.306 878 HB3 ASN 108 2HB ASN 108 16.199 -0.054 11.371 879 HD21 ASN 108 1HD2 ASN 108 15.521 2.230 10.849 880 HD22 ASN 108 2HD2 ASN 108 16.312 3.020 9.526 881 HA PRO 109 HA PRO 109 19.382 -2.972 12.290 882 HB2 PRO 109 1HB PRO 109 20.992 -0.947 13.172 883 HB3 PRO 109 2HB PRO 109 21.327 -1.877 11.725 884 HG2 PRO 109 1HG PRO 109 20.289 0.881 11.957 885 HG3 PRO 109 2HG PRO 109 21.022 0.097 10.572 886 HD2 PRO 109 1HD PRO 109 18.227 0.600 10.979 887 HD3 PRO 109 2HD PRO 109 18.950 -0.285 9.651 888 H GLU 110 H GLU 110 18.207 0.206 13.275 889 HA GLU 110 HA GLU 110 17.297 0.892 15.123 890 HB2 GLU 110 1HB GLU 110 15.764 -1.153 14.432 891 HB3 GLU 110 2HB GLU 110 16.427 -1.908 15.868 892 HG2 GLU 110 1HG GLU 110 15.337 0.910 16.063 893 HG3 GLU 110 2HG GLU 110 14.213 -0.434 16.015 894 H ASN 111 H ASN 111 18.624 1.612 16.729 895 HA ASN 111 HA ASN 111 19.261 0.095 18.899 896 HB2 ASN 111 1HB ASN 111 20.843 -1.226 17.641 897 HB3 ASN 111 2HB ASN 111 21.450 0.173 16.777 898 HD21 ASN 111 1HD2 ASN 111 23.441 0.577 17.336 899 HD22 ASN 111 2HD2 ASN 111 24.109 0.572 18.934 900 H SER 112 H SER 112 18.704 2.124 19.901 901 HA SER 112 HA SER 112 20.709 3.835 20.497 902 HB2 SER 112 1HB SER 112 19.523 4.457 17.887 903 HB3 SER 112 2HB SER 112 19.336 5.797 19.001 904 HG SER 112 HG SER 112 21.887 4.641 19.088 905 H LYS 113 H LYS 113 19.788 5.958 21.553 906 HA LYS 113 HA LYS 113 18.451 6.802 23.098 907 HB2 LYS 113 1HB LYS 113 16.392 5.945 21.052 908 HB3 LYS 113 2HB LYS 113 15.978 6.872 22.480 909 HG2 LYS 113 1HG LYS 113 16.931 8.798 21.670 910 HG3 LYS 113 2HG LYS 113 18.317 7.956 21.006 911 HD2 LYS 113 1HD LYS 113 17.190 8.731 19.076 912 HD3 LYS 113 2HD LYS 113 16.679 7.059 19.185 913 HE2 LYS 113 1HE LYS 113 15.000 9.086 20.641 914 HE3 LYS 113 2HE LYS 113 14.922 9.107 18.891 915 HZ1 LYS 113 1HZ LYS 113 13.788 7.264 20.660 916 HZ2 LYS 113 2HZ LYS 113 13.576 7.392 19.046 917 HZ3 LYS 113 3HZ LYS 113 14.787 6.471 19.640 918 H LEU 114 H LEU 114 16.392 6.265 24.591 919 HA LEU 114 HA LEU 114 16.545 3.397 25.201 920 HB2 LEU 114 1HB LEU 114 16.894 5.773 26.992 921 HB3 LEU 114 2HB LEU 114 16.222 4.287 27.634 922 HG LEU 114 HG LEU 114 18.780 4.110 26.095 923 HD11 LEU 114 1HD1 LEU 114 18.547 5.994 28.134 924 HD12 LEU 114 2HD1 LEU 114 19.287 4.577 28.917 925 HD13 LEU 114 3HD1 LEU 114 20.050 5.299 27.480 926 HD21 LEU 114 1HD2 LEU 114 17.202 2.383 27.676 927 HD22 LEU 114 2HD2 LEU 114 18.779 2.053 26.920 928 HD23 LEU 114 3HD2 LEU 114 18.704 2.679 28.584 929 H SER 115 H SER 115 14.597 2.647 24.495 930 HA SER 115 HA SER 115 12.318 4.256 24.463 931 HB2 SER 115 1HB SER 115 11.129 2.087 23.964 932 HB3 SER 115 2HB SER 115 12.504 2.401 22.924 933 HG SER 115 HG SER 115 13.164 0.456 23.526 934 H ASP 116 H ASP 116 11.988 5.125 26.591 935 HA ASP 116 HA ASP 116 11.226 3.097 28.543 936 HB2 ASP 116 1HB ASP 116 13.233 4.839 28.907 937 HB3 ASP 116 2HB ASP 116 11.927 5.932 29.321 938 H LEU 117 H LEU 117 8.985 3.117 27.751 939 HA LEU 117 HA LEU 117 7.544 5.469 27.310 940 HB2 LEU 117 1HB LEU 117 5.811 4.106 26.838 941 HB3 LEU 117 2HB LEU 117 7.126 2.957 26.687 942 HG LEU 117 HG LEU 117 5.318 3.277 29.099 943 HD11 LEU 117 1HD1 LEU 117 3.892 1.988 27.991 944 HD12 LEU 117 2HD1 LEU 117 5.031 1.795 26.637 945 HD13 LEU 117 3HD1 LEU 117 5.108 0.689 28.030 946 HD21 LEU 117 1HD2 LEU 117 6.460 1.545 30.168 947 HD22 LEU 117 2HD2 LEU 117 7.296 1.043 28.679 948 HD23 LEU 117 3HD2 LEU 117 7.757 2.558 29.491 949 H ASP 118 H ASP 118 5.856 6.466 28.611 950 HA ASP 118 HA ASP 118 5.785 5.760 31.373 951 HB2 ASP 118 1HB ASP 118 7.801 7.277 31.163 952 HB3 ASP 118 2HB ASP 118 6.756 8.529 30.523 953 H SER 119 H SER 119 4.120 7.274 32.526 954 HA SER 119 HA SER 119 2.626 9.114 31.175 955 HB2 SER 119 1HB SER 119 2.090 6.649 30.048 956 HB3 SER 119 2HB SER 119 0.837 6.740 31.270 957 HG SER 119 HG SER 119 0.276 8.886 30.377 958 H GLU 120 H GLU 120 1.881 10.253 32.924 959 HA GLU 120 HA GLU 120 0.271 8.998 34.849 960 HB2 GLU 120 1HB GLU 120 3.154 9.229 35.426 961 HB3 GLU 120 2HB GLU 120 2.166 10.023 36.637 962 HG2 GLU 120 1HG GLU 120 0.774 7.647 36.233 963 HG3 GLU 120 2HG GLU 120 2.435 7.131 36.021 964 H THR 121 H THR 121 -1.225 10.541 35.349 965 HA THR 121 HA THR 121 -0.436 13.195 36.027 966 HB THR 121 HB THR 121 -0.242 13.403 33.578 967 HG1 THR 121 1HG THR 121 -2.881 14.313 34.462 968 HG21 THR 121 1HG2 THR 121 -1.902 11.446 33.104 969 HG22 THR 121 2HG2 THR 121 -3.191 12.636 33.408 970 HG23 THR 121 3HG2 THR 121 -2.045 12.888 32.069 971 H ARG 122 H ARG 122 -2.110 14.382 37.027 972 HA ARG 122 HA ARG 122 -4.743 13.477 36.963 973 HB2 ARG 122 1HB ARG 122 -2.958 12.394 39.117 974 HB3 ARG 122 2HB ARG 122 -4.514 12.991 39.657 975 HG2 ARG 122 1HG ARG 122 -5.221 11.527 37.400 976 HG3 ARG 122 2HG ARG 122 -3.875 10.594 38.024 977 HD2 ARG 122 1HD ARG 122 -5.310 9.674 39.528 978 HD3 ARG 122 2HD ARG 122 -5.380 11.232 40.327 979 HE ARG 122 HE ARG 122 -7.167 11.336 38.115 980 HH11 ARG 122 2HH2 ARG 122 -6.846 9.645 41.184 981 HH12 ARG 122 1HH2 ARG 122 -8.552 9.431 41.391 982 HH21 ARG 122 2HH1 ARG 122 -9.418 11.054 38.387 983 HH22 ARG 122 1HH1 ARG 122 -10.025 10.239 39.790 984 H SER 123 H SER 123 -6.149 14.980 38.092 985 HA SER 123 HA SER 123 -4.983 16.885 39.844 986 HB2 SER 123 1HB SER 123 -5.258 17.501 36.987 987 HB3 SER 123 2HB SER 123 -6.189 18.614 37.970 988 HG SER 123 HG SER 123 -3.406 18.317 37.738 989 H MET 124 H MET 124 -6.642 18.131 40.968 990 HA MET 124 HA MET 124 -9.299 18.115 40.179 991 HB2 MET 124 1HB MET 124 -8.946 15.631 40.810 992 HB3 MET 124 2HB MET 124 -8.667 16.161 42.457 993 HG2 MET 124 1HG MET 124 -11.069 17.458 41.688 994 HG3 MET 124 2HG MET 124 -11.207 15.843 41.022 995 HE1 MET 124 1HE MET 124 -11.695 18.081 43.646 996 HE2 MET 124 2HE MET 124 -11.915 17.166 45.157 997 HE3 MET 124 3HE MET 124 -10.285 17.673 44.653 998 H VAL 125 H VAL 125 -10.518 19.542 41.478 999 HA VAL 125 HA VAL 125 -9.738 20.144 44.139 1000 HB VAL 125 HB VAL 125 -7.941 21.271 42.853 1001 HG11 VAL 125 1HG1 VAL 125 -10.180 23.017 41.774 1002 HG12 VAL 125 2HG1 VAL 125 -8.435 23.234 41.498 1003 HG13 VAL 125 3HG1 VAL 125 -9.271 21.809 40.834 1004 HG21 VAL 125 1HG2 VAL 125 -9.196 23.664 43.864 1005 HG22 VAL 125 2HG2 VAL 125 -9.546 22.292 44.943 1006 HG23 VAL 125 3HG2 VAL 125 -7.861 22.710 44.554 1007 H SER 126 H SER 126 -11.663 20.486 45.109 1008 HA SER 126 HA SER 126 -13.439 22.404 44.189 1009 HB2 SER 126 1HB SER 126 -13.786 19.768 43.004 1010 HB3 SER 126 2HB SER 126 -15.181 20.158 43.990 1011 HG SER 126 HG SER 126 -15.829 21.401 42.382 1012 H GLY 127 H GLY 127 -14.795 22.978 45.913 1013 HA2 GLY 127 1HA GLY 127 -16.011 21.438 47.770 1014 HA3 GLY 127 2HA GLY 127 -14.379 21.564 48.397 1015 HA PRO 128 HA PRO 128 -16.526 25.822 48.420 1016 HB2 PRO 128 1HB PRO 128 -19.240 25.772 48.741 1017 HB3 PRO 128 2HB PRO 128 -18.463 26.003 47.187 1018 HG2 PRO 128 1HG PRO 128 -19.809 23.593 48.247 1019 HG3 PRO 128 2HG PRO 128 -19.412 23.989 46.586 1020 HD2 PRO 128 1HD PRO 128 -18.027 22.142 48.289 1021 HD3 PRO 128 2HD PRO 128 -17.564 22.625 46.669 1022 H SER 129 H SER 129 -17.998 27.057 50.190 1023 HA SER 129 HA SER 129 -18.255 25.522 52.541 1024 HB2 SER 129 1HB SER 129 -15.688 26.068 52.244 1025 HB3 SER 129 2HB SER 129 -16.142 27.682 52.751 1026 HG SER 129 HG SER 129 -15.479 26.271 54.533 1027 H SER 130 H SER 130 -18.749 27.138 54.485 1028 HA SER 130 HA SER 130 -19.603 29.715 53.607 1029 HB2 SER 130 1HB SER 130 -21.465 27.909 53.081 1030 HB3 SER 130 2HB SER 130 -21.764 27.968 54.807 1031 HG SER 130 HG SER 130 -23.019 29.631 54.275 1032 H GLY 131 H GLY 131 -20.701 30.902 55.581 1033 HA2 GLY 131 1HA GLY 131 -20.599 31.566 57.726 1034 HA3 GLY 131 2HA GLY 131 -20.435 29.882 58.185 Start of MODEL 11 1 H1 GLY 1 H GLY 1 21.089 -22.767 7.452 2 HA2 GLY 1 1HA GLY 1 18.883 -21.818 8.146 3 HA3 GLY 1 2HA GLY 1 18.790 -23.068 6.921 4 H SER 2 H SER 2 16.703 -22.325 8.856 5 HA SER 2 HA SER 2 15.997 -24.901 9.644 6 HB2 SER 2 1HB SER 2 15.932 -24.474 12.145 7 HB3 SER 2 2HB SER 2 17.537 -24.697 11.480 8 HG SER 2 HG SER 2 18.064 -22.737 12.143 9 H SER 3 H SER 3 15.656 -21.455 10.784 10 HA SER 3 HA SER 3 12.936 -21.656 11.248 11 HB2 SER 3 1HB SER 3 14.962 -19.687 11.478 12 HB3 SER 3 2HB SER 3 13.746 -18.965 10.443 13 HG SER 3 HG SER 3 13.285 -20.138 13.053 14 H GLY 4 H GLY 4 11.108 -20.782 10.005 15 HA2 GLY 4 1HA GLY 4 11.665 -20.472 7.120 16 HA3 GLY 4 2HA GLY 4 10.416 -21.556 7.700 17 H SER 5 H SER 5 8.424 -20.667 7.385 18 HA SER 5 HA SER 5 6.764 -19.271 7.472 19 HB2 SER 5 1HB SER 5 8.294 -18.577 9.761 20 HB3 SER 5 2HB SER 5 7.857 -17.050 9.021 21 HG SER 5 HG SER 5 5.971 -17.335 9.994 22 H SER 6 H SER 6 6.032 -17.766 5.965 23 HA SER 6 HA SER 6 8.100 -16.020 4.874 24 HB2 SER 6 1HB SER 6 6.663 -18.041 3.551 25 HB3 SER 6 2HB SER 6 5.837 -16.571 3.074 26 HG SER 6 HG SER 6 8.691 -17.032 2.864 27 H GLY 7 H GLY 7 7.612 -13.823 4.764 28 HA2 GLY 7 1HA GLY 7 4.805 -13.030 5.186 29 HA3 GLY 7 2HA GLY 7 6.062 -12.409 6.237 30 HA PRO 8 HA PRO 8 5.848 -10.094 2.166 31 HB2 PRO 8 1HB PRO 8 3.873 -8.242 2.543 32 HB3 PRO 8 2HB PRO 8 3.633 -9.731 1.651 33 HG2 PRO 8 1HG PRO 8 2.722 -9.036 4.376 34 HG3 PRO 8 2HG PRO 8 2.149 -10.311 3.319 35 HD2 PRO 8 1HD PRO 8 3.883 -10.609 5.585 36 HD3 PRO 8 2HD PRO 8 3.403 -11.864 4.459 37 H ASN 9 H ASN 9 5.541 -7.330 2.108 38 HA ASN 9 HA ASN 9 7.534 -6.693 4.135 39 HB2 ASN 9 1HB ASN 9 7.104 -5.824 1.277 40 HB3 ASN 9 2HB ASN 9 7.764 -4.628 2.375 41 HD21 ASN 9 1HD2 ASN 9 9.860 -4.579 2.626 42 HD22 ASN 9 2HD2 ASN 9 10.986 -5.856 2.308 43 H TYR 10 H TYR 10 4.638 -6.718 4.633 44 HA TYR 10 HA TYR 10 4.327 -4.065 5.612 45 HB2 TYR 10 1HB TYR 10 2.108 -3.840 4.242 46 HB3 TYR 10 2HB TYR 10 3.587 -3.602 3.333 47 HD1 TYR 10 1HD TYR 10 1.060 -6.220 4.198 48 HD2 TYR 10 2HD TYR 10 4.010 -4.876 1.405 49 HE1 TYR 10 1HE TYR 10 0.360 -8.043 2.569 50 HE2 TYR 10 2HE TYR 10 3.299 -6.704 -0.213 51 HH TYR 10 HH TYR 10 0.747 -8.059 -0.390 52 H ARG 11 H ARG 11 2.436 -3.865 7.021 53 HA ARG 11 HA ARG 11 1.810 -6.412 8.135 54 HB2 ARG 11 1HB ARG 11 0.859 -3.619 8.952 55 HB3 ARG 11 2HB ARG 11 0.694 -5.070 9.920 56 HG2 ARG 11 1HG ARG 11 3.136 -5.299 10.101 57 HG3 ARG 11 2HG ARG 11 3.385 -3.974 8.980 58 HD2 ARG 11 1HD ARG 11 3.644 -3.327 11.423 59 HD3 ARG 11 2HD ARG 11 2.481 -2.353 10.546 60 HE ARG 11 HE ARG 11 0.727 -3.313 11.803 61 HH11 ARG 11 2HH2 ARG 11 3.731 -5.052 12.382 62 HH12 ARG 11 1HH2 ARG 11 3.102 -5.950 13.723 63 HH21 ARG 11 2HH1 ARG 11 -0.103 -4.496 13.573 64 HH22 ARG 11 1HH1 ARG 11 0.907 -5.631 14.405 65 H TRP 12 H TRP 12 -0.266 -7.406 8.189 66 HA TRP 12 HA TRP 12 -2.493 -5.975 7.004 67 HB2 TRP 12 1HB TRP 12 -2.922 -7.462 5.259 68 HB3 TRP 12 2HB TRP 12 -1.219 -7.068 5.124 69 HD1 TRP 12 HD TRP 12 0.512 -9.100 5.387 70 HE1 TRP 12 1HE TRP 12 0.346 -11.727 5.574 71 HE3 TRP 12 3HE TRP 12 -4.489 -9.244 6.295 72 HZ2 TRP 12 2HZ TRP 12 -1.810 -13.530 6.069 73 HZ3 TRP 12 3HZ TRP 12 -5.547 -11.478 6.618 74 HH2 TRP 12 HH TRP 12 -4.292 -13.573 6.518 75 H THR 13 H THR 13 -4.435 -6.654 7.944 76 HA THR 13 HA THR 13 -4.378 -9.132 9.498 77 HB THR 13 HB THR 13 -5.139 -7.979 11.502 78 HG1 THR 13 1HG THR 13 -5.041 -5.648 9.719 79 HG21 THR 13 1HG2 THR 13 -3.267 -6.650 12.081 80 HG22 THR 13 2HG2 THR 13 -2.606 -7.637 10.755 81 HG23 THR 13 3HG2 THR 13 -3.131 -5.965 10.443 82 H GLN 14 H GLN 14 -6.902 -8.865 10.689 83 HA GLN 14 HA GLN 14 -8.853 -7.951 8.982 84 HB2 GLN 14 1HB GLN 14 -9.546 -9.799 7.690 85 HB3 GLN 14 2HB GLN 14 -7.801 -9.837 7.539 86 HG2 GLN 14 1HG GLN 14 -8.042 -11.384 9.755 87 HG3 GLN 14 2HG GLN 14 -9.620 -11.689 9.057 88 HE21 GLN 14 1HE2 GLN 14 -6.741 -12.984 9.311 89 HE22 GLN 14 2HE2 GLN 14 -6.529 -13.775 7.784 90 H THR 15 H THR 15 -10.897 -9.903 9.394 91 HA THR 15 HA THR 15 -10.868 -10.920 12.030 92 HB THR 15 HB THR 15 -10.952 -8.365 12.398 93 HG1 THR 15 1HG THR 15 -13.298 -9.980 13.105 94 HG21 THR 15 1HG2 THR 15 -12.896 -8.370 10.431 95 HG22 THR 15 2HG2 THR 15 -13.894 -8.494 11.900 96 HG23 THR 15 3HG2 THR 15 -12.774 -7.126 11.697 97 H LEU 16 H LEU 16 -11.352 -12.375 9.931 98 HA LEU 16 HA LEU 16 -12.870 -13.415 8.648 99 HB2 LEU 16 1HB LEU 16 -14.625 -13.556 11.057 100 HB3 LEU 16 2HB LEU 16 -14.192 -14.807 9.908 101 HG LEU 16 HG LEU 16 -13.011 -15.518 11.722 102 HD11 LEU 16 1HD1 LEU 16 -11.473 -14.443 9.716 103 HD12 LEU 16 2HD1 LEU 16 -10.747 -13.736 11.180 104 HD13 LEU 16 3HD1 LEU 16 -10.889 -15.503 11.021 105 HD21 LEU 16 1HD2 LEU 16 -13.496 -12.902 12.692 106 HD22 LEU 16 2HD2 LEU 16 -12.939 -14.333 13.593 107 HD23 LEU 16 3HD2 LEU 16 -11.753 -13.216 12.875 108 H ALA 17 H ALA 17 -13.113 -10.477 8.588 109 HA ALA 17 HA ALA 17 -15.795 -10.401 7.518 110 HB1 ALA 17 1HB ALA 17 -16.725 -8.949 9.007 111 HB2 ALA 17 2HB ALA 17 -15.523 -9.636 10.125 112 HB3 ALA 17 3HB ALA 17 -15.189 -8.098 9.294 113 H GLU 18 H GLU 18 -13.323 -7.956 8.572 114 HA GLU 18 HA GLU 18 -13.096 -7.270 5.745 115 HB2 GLU 18 1HB GLU 18 -12.645 -4.958 6.435 116 HB3 GLU 18 2HB GLU 18 -14.173 -5.493 7.106 117 HG2 GLU 18 1HG GLU 18 -13.335 -4.734 9.093 118 HG3 GLU 18 2HG GLU 18 -12.453 -6.248 9.122 119 H LEU 19 H LEU 19 -10.916 -6.372 5.089 120 HA LEU 19 HA LEU 19 -8.815 -7.648 6.698 121 HB2 LEU 19 1HB LEU 19 -9.497 -7.795 3.873 122 HB3 LEU 19 2HB LEU 19 -7.835 -7.299 4.121 123 HG LEU 19 HG LEU 19 -8.721 -9.621 5.738 124 HD11 LEU 19 1HD1 LEU 19 -8.811 -11.211 4.021 125 HD12 LEU 19 2HD1 LEU 19 -9.829 -9.870 3.442 126 HD13 LEU 19 3HD1 LEU 19 -8.179 -10.073 2.805 127 HD21 LEU 19 1HD2 LEU 19 -6.509 -9.570 6.013 128 HD22 LEU 19 2HD2 LEU 19 -6.401 -10.260 4.376 129 HD23 LEU 19 3HD2 LEU 19 -6.271 -8.501 4.610 130 H ASP 20 H ASP 20 -7.173 -6.382 7.448 131 HA ASP 20 HA ASP 20 -7.283 -3.609 6.571 132 HB2 ASP 20 1HB ASP 20 -7.039 -4.902 9.161 133 HB3 ASP 20 2HB ASP 20 -5.607 -3.931 8.881 134 H LEU 21 H LEU 21 -5.415 -2.731 5.593 135 HA LEU 21 HA LEU 21 -2.956 -4.310 5.790 136 HB2 LEU 21 1HB LEU 21 -3.816 -5.006 3.728 137 HB3 LEU 21 2HB LEU 21 -4.380 -3.401 3.306 138 HG LEU 21 HG LEU 21 -2.394 -4.180 2.015 139 HD11 LEU 21 1HD1 LEU 21 -2.004 -2.026 1.670 140 HD12 LEU 21 2HD1 LEU 21 -2.900 -1.647 3.161 141 HD13 LEU 21 3HD1 LEU 21 -1.138 -1.896 3.220 142 HD21 LEU 21 1HD2 LEU 21 -0.357 -4.664 2.924 143 HD22 LEU 21 2HD2 LEU 21 -0.618 -3.636 4.354 144 HD23 LEU 21 3HD2 LEU 21 -1.413 -5.225 4.242 145 H ALA 22 H ALA 22 -1.128 -3.103 6.142 146 HA ALA 22 HA ALA 22 -1.355 -0.214 5.731 147 HB1 ALA 22 1HB ALA 22 -0.058 -1.283 8.231 148 HB2 ALA 22 2HB ALA 22 -0.790 0.311 7.925 149 HB3 ALA 22 3HB ALA 22 -1.829 -1.114 8.173 150 H VAL 23 H VAL 23 0.457 0.653 4.796 151 HA VAL 23 HA VAL 23 2.887 -0.982 4.880 152 HB VAL 23 HB VAL 23 1.657 0.317 2.441 153 HG11 VAL 23 1HG1 VAL 23 3.741 0.419 1.639 154 HG12 VAL 23 2HG1 VAL 23 4.394 -0.445 3.052 155 HG13 VAL 23 3HG1 VAL 23 3.763 -1.361 1.662 156 HG21 VAL 23 1HG2 VAL 23 0.729 -1.651 1.931 157 HG22 VAL 23 2HG2 VAL 23 2.245 -2.526 2.253 158 HG23 VAL 23 3HG2 VAL 23 1.117 -2.179 3.586 159 HA PRO 24 HA PRO 24 4.061 3.084 6.147 160 HB2 PRO 24 1HB PRO 24 6.247 2.331 7.603 161 HB3 PRO 24 2HB PRO 24 4.635 2.437 8.281 162 HG2 PRO 24 1HG PRO 24 6.179 0.027 7.541 163 HG3 PRO 24 2HG PRO 24 4.780 0.156 8.589 164 HD2 PRO 24 1HD PRO 24 4.819 -0.811 5.889 165 HD3 PRO 24 2HD PRO 24 3.405 -0.573 6.896 166 H PHE 25 H PHE 25 5.007 4.535 4.869 167 HA PHE 25 HA PHE 25 7.225 3.450 3.290 168 HB2 PHE 25 1HB PHE 25 5.156 5.691 2.964 169 HB3 PHE 25 2HB PHE 25 6.571 5.630 1.931 170 HD1 PHE 25 2HD PHE 25 6.706 2.597 1.652 171 HD2 PHE 25 1HD PHE 25 3.482 5.338 1.336 172 HE1 PHE 25 2HE PHE 25 5.513 1.015 0.111 173 HE2 PHE 25 1HE PHE 25 2.289 3.756 -0.205 174 HZ PHE 25 HZ PHE 25 3.319 1.614 -0.799 175 H ARG 26 H ARG 26 9.193 4.609 3.111 176 HA ARG 26 HA ARG 26 9.773 6.160 5.389 177 HB2 ARG 26 1HB ARG 26 12.065 6.282 4.409 178 HB3 ARG 26 2HB ARG 26 11.451 4.641 4.384 179 HG2 ARG 26 1HG ARG 26 10.551 5.463 1.949 180 HG3 ARG 26 2HG ARG 26 11.936 6.527 2.097 181 HD2 ARG 26 1HD ARG 26 13.480 4.712 2.233 182 HD3 ARG 26 2HD ARG 26 12.236 3.560 2.678 183 HE ARG 26 HE ARG 26 11.642 4.665 0.084 184 HH11 ARG 26 2HH2 ARG 26 13.837 2.423 1.678 185 HH12 ARG 26 1HH2 ARG 26 14.104 1.472 0.255 186 HH21 ARG 26 2HH1 ARG 26 11.993 3.410 -1.794 187 HH22 ARG 26 1HH1 ARG 26 13.048 2.038 -1.733 188 H VAL 27 H VAL 27 8.387 8.050 5.194 189 HA VAL 27 HA VAL 27 9.379 9.949 3.193 190 HB VAL 27 HB VAL 27 6.982 10.803 3.130 191 HG11 VAL 27 1HG1 VAL 27 8.132 8.415 1.799 192 HG12 VAL 27 2HG1 VAL 27 6.372 8.624 1.631 193 HG13 VAL 27 3HG1 VAL 27 7.477 9.917 1.105 194 HG21 VAL 27 1HG2 VAL 27 5.809 8.190 3.580 195 HG22 VAL 27 2HG2 VAL 27 6.603 8.791 5.056 196 HG23 VAL 27 3HG2 VAL 27 5.352 9.773 4.255 197 H SER 28 H SER 28 9.218 12.209 3.871 198 HA SER 28 HA SER 28 9.157 12.367 6.780 199 HB2 SER 28 1HB SER 28 11.032 13.333 4.782 200 HB3 SER 28 2HB SER 28 10.389 14.696 5.677 201 HG SER 28 HG SER 28 12.359 13.535 6.571 202 H PHE 29 H PHE 29 6.995 12.662 4.498 203 HA PHE 29 HA PHE 29 5.836 15.066 5.656 204 HB2 PHE 29 1HB PHE 29 5.134 15.602 3.185 205 HB3 PHE 29 2HB PHE 29 6.801 15.933 3.612 206 HD1 PHE 29 1HD PHE 29 4.733 13.128 2.262 207 HD2 PHE 29 2HD PHE 29 8.446 15.181 2.184 208 HE1 PHE 29 1HE PHE 29 5.508 11.655 0.384 209 HE2 PHE 29 2HE PHE 29 9.221 13.708 0.306 210 HZ PHE 29 HZ PHE 29 7.743 11.962 -0.572 211 H ARG 30 H ARG 30 3.449 15.256 5.048 212 HA ARG 30 HA ARG 30 2.302 12.709 5.435 213 HB2 ARG 30 1HB ARG 30 1.175 14.478 6.553 214 HB3 ARG 30 2HB ARG 30 1.252 15.541 5.162 215 HG2 ARG 30 1HG ARG 30 -0.413 14.170 3.961 216 HG3 ARG 30 2HG ARG 30 -0.421 12.986 5.254 217 HD2 ARG 30 1HD ARG 30 -0.930 15.513 6.497 218 HD3 ARG 30 2HD ARG 30 -1.921 15.476 5.052 219 HE ARG 30 HE ARG 30 -3.204 13.744 5.987 220 HH11 ARG 30 2HH2 ARG 30 -0.241 14.147 7.841 221 HH12 ARG 30 1HH2 ARG 30 -0.740 13.084 9.113 222 HH21 ARG 30 2HH1 ARG 30 -3.864 12.341 7.666 223 HH22 ARG 30 1HH1 ARG 30 -2.815 12.049 9.013 224 H LEU 31 H LEU 31 2.223 11.299 3.692 225 HA LEU 31 HA LEU 31 2.144 12.175 1.026 226 HB2 LEU 31 1HB LEU 31 1.929 9.583 2.472 227 HB3 LEU 31 2HB LEU 31 1.363 9.636 0.815 228 HG LEU 31 HG LEU 31 4.130 10.541 1.643 229 HD11 LEU 31 1HD1 LEU 31 4.716 8.253 0.482 230 HD12 LEU 31 2HD1 LEU 31 4.303 8.327 2.212 231 HD13 LEU 31 3HD1 LEU 31 3.082 7.806 1.026 232 HD21 LEU 31 1HD2 LEU 31 4.622 10.171 -0.776 233 HD22 LEU 31 2HD2 LEU 31 2.882 9.906 -1.042 234 HD23 LEU 31 3HD2 LEU 31 3.463 11.484 -0.457 235 H LYS 32 H LYS 32 0.439 12.176 -0.515 236 HA LYS 32 HA LYS 32 -2.207 12.318 0.748 237 HB2 LYS 32 1HB LYS 32 -0.884 13.916 -1.416 238 HB3 LYS 32 2HB LYS 32 -2.622 13.699 -1.473 239 HG2 LYS 32 1HG LYS 32 -1.393 14.496 1.164 240 HG3 LYS 32 2HG LYS 32 -1.490 15.714 -0.092 241 HD2 LYS 32 1HD LYS 32 -3.741 15.951 0.168 242 HD3 LYS 32 2HD LYS 32 -4.009 14.220 0.120 243 HE2 LYS 32 1HE LYS 32 -4.145 14.074 2.392 244 HE3 LYS 32 2HE LYS 32 -2.686 15.017 2.621 245 HZ1 LYS 32 1HZ LYS 32 -5.318 15.845 2.905 246 HZ2 LYS 32 2HZ LYS 32 -3.957 16.706 3.173 247 HZ3 LYS 32 3HZ LYS 32 -4.658 16.724 1.698 248 H GLY 33 H GLY 33 -4.032 11.826 -0.941 249 HA2 GLY 33 1HA GLY 33 -3.544 9.150 -1.879 250 HA3 GLY 33 2HA GLY 33 -5.047 10.049 -1.926 251 H LYS 34 H LYS 34 -1.736 10.664 -3.308 252 HA LYS 34 HA LYS 34 -2.805 10.383 -5.973 253 HB2 LYS 34 1HB LYS 34 -2.118 12.645 -6.676 254 HB3 LYS 34 2HB LYS 34 -3.442 12.668 -5.529 255 HG2 LYS 34 1HG LYS 34 -1.319 12.792 -3.796 256 HG3 LYS 34 2HG LYS 34 -0.615 13.591 -5.188 257 HD2 LYS 34 1HD LYS 34 -3.343 14.361 -4.060 258 HD3 LYS 34 2HD LYS 34 -1.853 15.106 -3.514 259 HE2 LYS 34 1HE LYS 34 -1.614 16.347 -5.434 260 HE3 LYS 34 2HE LYS 34 -2.121 15.029 -6.472 261 HZ1 LYS 34 1HZ LYS 34 -4.406 15.514 -5.431 262 HZ2 LYS 34 2HZ LYS 34 -3.769 16.976 -5.076 263 HZ3 LYS 34 3HZ LYS 34 -3.852 16.477 -6.629 264 H ASP 35 H ASP 35 -0.075 11.335 -3.810 265 HA ASP 35 HA ASP 35 1.871 10.789 -5.745 266 HB2 ASP 35 1HB ASP 35 1.774 11.339 -2.805 267 HB3 ASP 35 2HB ASP 35 3.197 10.479 -3.358 268 H VAL 36 H VAL 36 -0.268 8.788 -4.017 269 HA VAL 36 HA VAL 36 1.619 6.535 -4.067 270 HB VAL 36 HB VAL 36 1.027 6.485 -1.906 271 HG11 VAL 36 1HG1 VAL 36 -0.059 8.584 -1.747 272 HG12 VAL 36 2HG1 VAL 36 -1.457 8.024 -2.695 273 HG13 VAL 36 3HG1 VAL 36 -1.194 7.405 -1.047 274 HG21 VAL 36 1HG2 VAL 36 0.057 4.438 -2.666 275 HG22 VAL 36 2HG2 VAL 36 -1.070 5.142 -1.482 276 HG23 VAL 36 3HG2 VAL 36 -1.417 5.266 -3.223 277 H VAL 37 H VAL 37 0.455 4.367 -4.519 278 HA VAL 37 HA VAL 37 -1.739 4.775 -6.414 279 HB VAL 37 HB VAL 37 0.858 3.310 -6.896 280 HG11 VAL 37 1HG1 VAL 37 -1.466 3.333 -8.825 281 HG12 VAL 37 2HG1 VAL 37 -0.023 2.291 -8.817 282 HG13 VAL 37 3HG1 VAL 37 -1.293 2.061 -7.592 283 HG21 VAL 37 1HG2 VAL 37 0.366 5.901 -7.354 284 HG22 VAL 37 2HG2 VAL 37 1.367 4.911 -8.443 285 HG23 VAL 37 3HG2 VAL 37 -0.337 5.229 -8.845 286 H VAL 38 H VAL 38 -3.356 3.822 -5.230 287 HA VAL 38 HA VAL 38 -2.775 1.110 -4.254 288 HB VAL 38 HB VAL 38 -4.469 3.329 -3.122 289 HG11 VAL 38 1HG1 VAL 38 -4.683 0.358 -2.678 290 HG12 VAL 38 2HG1 VAL 38 -5.048 1.495 -1.358 291 HG13 VAL 38 3HG1 VAL 38 -5.971 1.570 -2.877 292 HG21 VAL 38 1HG2 VAL 38 -3.170 2.692 -1.037 293 HG22 VAL 38 2HG2 VAL 38 -2.157 1.668 -2.084 294 HG23 VAL 38 3HG2 VAL 38 -2.219 3.427 -2.350 295 H ASP 39 H ASP 39 -3.583 -0.289 -5.742 296 HA ASP 39 HA ASP 39 -6.129 0.455 -6.939 297 HB2 ASP 39 1HB ASP 39 -3.750 -0.432 -8.106 298 HB3 ASP 39 2HB ASP 39 -4.699 -1.903 -8.032 299 H ILE 40 H ILE 40 -7.760 -0.495 -5.674 300 HA ILE 40 HA ILE 40 -7.239 -3.097 -4.489 301 HB ILE 40 HB ILE 40 -9.521 -1.146 -4.159 302 HG12 ILE 40 1HG1 ILE 40 -7.210 -1.783 -2.302 303 HG13 ILE 40 2HG1 ILE 40 -7.319 -0.356 -3.313 304 HG21 ILE 40 1HG2 ILE 40 -10.163 -3.527 -3.808 305 HG22 ILE 40 2HG2 ILE 40 -8.920 -3.632 -2.538 306 HG23 ILE 40 3HG2 ILE 40 -10.295 -2.517 -2.348 307 HD11 ILE 40 1HD1 ILE 40 -8.094 0.155 -1.028 308 HD12 ILE 40 2HD1 ILE 40 -9.449 0.290 -2.174 309 HD13 ILE 40 3HD1 ILE 40 -9.304 -1.145 -1.131 310 H GLN 41 H GLN 41 -7.527 -4.804 -5.831 311 HA GLN 41 HA GLN 41 -9.704 -4.594 -7.742 312 HB2 GLN 41 1HB GLN 41 -7.860 -5.233 -8.990 313 HB3 GLN 41 2HB GLN 41 -7.101 -6.074 -7.653 314 HG2 GLN 41 1HG GLN 41 -8.388 -8.030 -7.966 315 HG3 GLN 41 2HG GLN 41 -9.679 -7.177 -8.788 316 HE21 GLN 41 1HE2 GLN 41 -8.751 -9.447 -9.864 317 HE22 GLN 41 2HE2 GLN 41 -7.836 -9.158 -11.306 318 H ARG 42 H ARG 42 -11.217 -6.406 -8.005 319 HA ARG 42 HA ARG 42 -12.426 -7.202 -5.801 320 HB2 ARG 42 1HB ARG 42 -13.213 -7.592 -8.166 321 HB3 ARG 42 2HB ARG 42 -12.099 -8.939 -8.300 322 HG2 ARG 42 1HG ARG 42 -14.235 -9.896 -7.742 323 HG3 ARG 42 2HG ARG 42 -13.265 -9.998 -6.287 324 HD2 ARG 42 1HD ARG 42 -15.193 -9.083 -5.368 325 HD3 ARG 42 2HD ARG 42 -14.363 -7.597 -5.785 326 HE ARG 42 HE ARG 42 -16.682 -8.774 -7.207 327 HH11 ARG 42 2HH2 ARG 42 -14.193 -6.287 -7.127 328 HH12 ARG 42 1HH2 ARG 42 -15.010 -5.253 -8.250 329 HH21 ARG 42 2HH1 ARG 42 -17.761 -7.409 -8.688 330 HH22 ARG 42 1HH1 ARG 42 -17.054 -5.895 -9.144 331 H ARG 43 H ARG 43 -9.775 -9.008 -7.496 332 HA ARG 43 HA ARG 43 -9.333 -10.390 -4.983 333 HB2 ARG 43 1HB ARG 43 -10.456 -11.683 -7.131 334 HB3 ARG 43 2HB ARG 43 -8.759 -11.928 -7.494 335 HG2 ARG 43 1HG ARG 43 -8.383 -13.225 -5.580 336 HG3 ARG 43 2HG ARG 43 -9.657 -12.444 -4.665 337 HD2 ARG 43 1HD ARG 43 -11.188 -14.004 -5.304 338 HD3 ARG 43 2HD ARG 43 -10.786 -13.802 -6.998 339 HE ARG 43 HE ARG 43 -9.663 -15.809 -5.152 340 HH11 ARG 43 2HH2 ARG 43 -9.361 -14.193 -8.263 341 HH12 ARG 43 1HH2 ARG 43 -8.386 -15.443 -8.962 342 HH21 ARG 43 2HH1 ARG 43 -8.378 -17.459 -6.073 343 HH22 ARG 43 1HH1 ARG 43 -7.824 -17.313 -7.708 344 H HIS 44 H HIS 44 -7.979 -8.056 -5.822 345 HA HIS 44 HA HIS 44 -5.316 -9.047 -5.928 346 HB2 HIS 44 1HB HIS 44 -6.541 -8.549 -8.408 347 HB3 HIS 44 2HB HIS 44 -5.535 -7.145 -8.112 348 HD1 HIS 44 1HD HIS 44 -2.925 -7.875 -7.295 349 HD2 HIS 44 2HD HIS 44 -5.167 -10.603 -9.559 350 HE1 HIS 44 1HE HIS 44 -1.249 -9.513 -8.306 351 H LEU 45 H LEU 45 -3.829 -7.495 -5.143 352 HA LEU 45 HA LEU 45 -4.976 -4.861 -4.575 353 HB2 LEU 45 1HB LEU 45 -4.993 -6.637 -2.648 354 HB3 LEU 45 2HB LEU 45 -3.286 -6.256 -2.537 355 HG LEU 45 HG LEU 45 -3.718 -3.983 -1.972 356 HD11 LEU 45 1HD1 LEU 45 -5.388 -3.017 -3.120 357 HD12 LEU 45 2HD1 LEU 45 -6.353 -4.512 -3.187 358 HD13 LEU 45 3HD1 LEU 45 -6.385 -3.497 -1.725 359 HD21 LEU 45 1HD2 LEU 45 -5.096 -6.126 -0.487 360 HD22 LEU 45 2HD2 LEU 45 -3.913 -4.914 0.061 361 HD23 LEU 45 3HD2 LEU 45 -5.630 -4.474 -0.096 362 H ARG 46 H ARG 46 -3.733 -3.335 -5.506 363 HA ARG 46 HA ARG 46 -0.899 -3.974 -5.714 364 HB2 ARG 46 1HB ARG 46 -2.478 -3.751 -7.874 365 HB3 ARG 46 2HB ARG 46 -2.235 -2.035 -7.618 366 HG2 ARG 46 1HG ARG 46 0.279 -2.471 -7.581 367 HG3 ARG 46 2HG ARG 46 -0.054 -4.133 -8.027 368 HD2 ARG 46 1HD ARG 46 -0.812 -1.657 -9.654 369 HD3 ARG 46 2HD ARG 46 0.473 -2.785 -10.038 370 HE ARG 46 HE ARG 46 -2.088 -4.137 -9.743 371 HH11 ARG 46 2HH2 ARG 46 -0.117 -2.265 -11.977 372 HH12 ARG 46 1HH2 ARG 46 -0.878 -2.913 -13.392 373 HH21 ARG 46 2HH1 ARG 46 -3.092 -4.993 -11.609 374 HH22 ARG 46 1HH1 ARG 46 -2.581 -4.475 -13.181 375 H VAL 47 H VAL 47 0.177 -2.714 -4.218 376 HA VAL 47 HA VAL 47 -0.706 0.079 -3.984 377 HB VAL 47 HB VAL 47 0.408 -1.711 -1.815 378 HG11 VAL 47 1HG1 VAL 47 -0.068 1.200 -2.024 379 HG12 VAL 47 2HG1 VAL 47 -0.713 0.434 -0.552 380 HG13 VAL 47 3HG1 VAL 47 1.016 0.285 -0.949 381 HG21 VAL 47 1HG2 VAL 47 -2.416 -0.803 -2.423 382 HG22 VAL 47 2HG2 VAL 47 -1.803 -2.464 -2.239 383 HG23 VAL 47 3HG2 VAL 47 -1.913 -1.393 -0.821 384 H GLY 48 H GLY 48 1.007 1.645 -3.602 385 HA2 GLY 48 1HA GLY 48 3.673 1.217 -3.326 386 HA3 GLY 48 2HA GLY 48 3.407 0.963 -5.040 387 H LEU 49 H LEU 49 5.001 3.103 -3.994 388 HA LEU 49 HA LEU 49 3.370 5.471 -4.022 389 HB2 LEU 49 1HB LEU 49 6.297 4.884 -3.709 390 HB3 LEU 49 2HB LEU 49 5.739 6.521 -3.995 391 HG LEU 49 HG LEU 49 4.814 4.781 -1.692 392 HD11 LEU 49 1HD1 LEU 49 7.319 6.020 -2.032 393 HD12 LEU 49 2HD1 LEU 49 6.408 7.045 -0.898 394 HD13 LEU 49 3HD1 LEU 49 6.636 5.315 -0.547 395 HD21 LEU 49 1HD2 LEU 49 3.170 6.456 -2.301 396 HD22 LEU 49 2HD2 LEU 49 3.950 6.895 -0.763 397 HD23 LEU 49 3HD2 LEU 49 4.413 7.730 -2.265 398 H LYS 50 H LYS 50 3.085 6.912 -5.705 399 HA LYS 50 HA LYS 50 3.087 6.042 -8.262 400 HB2 LYS 50 1HB LYS 50 2.377 8.343 -6.965 401 HB3 LYS 50 2HB LYS 50 3.700 8.918 -7.960 402 HG2 LYS 50 1HG LYS 50 2.591 8.469 -9.958 403 HG3 LYS 50 2HG LYS 50 1.715 7.102 -9.297 404 HD2 LYS 50 1HD LYS 50 0.100 8.497 -8.220 405 HD3 LYS 50 2HD LYS 50 1.119 9.918 -8.326 406 HE2 LYS 50 1HE LYS 50 0.628 8.840 -10.998 407 HE3 LYS 50 2HE LYS 50 -0.893 9.100 -10.168 408 HZ1 LYS 50 1HZ LYS 50 0.575 11.300 -9.588 409 HZ2 LYS 50 2HZ LYS 50 0.940 11.010 -11.154 410 HZ3 LYS 50 3HZ LYS 50 -0.617 11.209 -10.701 411 H GLY 51 H GLY 51 4.513 5.798 -9.946 412 HA2 GLY 51 1HA GLY 51 6.457 6.027 -11.118 413 HA3 GLY 51 2HA GLY 51 7.120 7.042 -9.854 414 H GLN 52 H GLN 52 6.788 5.364 -7.569 415 HA GLN 52 HA GLN 52 8.998 3.655 -7.991 416 HB2 GLN 52 1HB GLN 52 7.402 4.653 -5.707 417 HB3 GLN 52 2HB GLN 52 7.985 3.017 -5.478 418 HG2 GLN 52 1HG GLN 52 10.115 4.624 -6.629 419 HG3 GLN 52 2HG GLN 52 9.464 5.459 -5.232 420 HE21 GLN 52 1HE2 GLN 52 8.835 3.755 -3.414 421 HE22 GLN 52 2HE2 GLN 52 10.125 2.698 -2.945 422 HA PRO 53 HA PRO 53 6.972 -0.158 -8.472 423 HB2 PRO 53 1HB PRO 53 8.315 -1.922 -6.873 424 HB3 PRO 53 2HB PRO 53 8.925 -1.376 -8.422 425 HG2 PRO 53 1HG PRO 53 9.792 -0.589 -5.708 426 HG3 PRO 53 2HG PRO 53 10.640 -0.399 -7.229 427 HD2 PRO 53 1HD PRO 53 9.260 1.646 -5.766 428 HD3 PRO 53 2HD PRO 53 10.008 1.809 -7.342 429 HA PRO 54 HA PRO 54 3.899 -0.829 -5.625 430 HB2 PRO 54 1HB PRO 54 2.835 -3.203 -6.462 431 HB3 PRO 54 2HB PRO 54 2.455 -1.665 -7.211 432 HG2 PRO 54 1HG PRO 54 4.202 -3.830 -8.208 433 HG3 PRO 54 2HG PRO 54 3.479 -2.506 -9.099 434 HD2 PRO 54 1HD PRO 54 6.212 -2.715 -8.253 435 HD3 PRO 54 2HD PRO 54 5.460 -1.341 -9.041 436 H VAL 55 H VAL 55 4.309 -1.073 -3.526 437 HA VAL 55 HA VAL 55 6.037 -3.195 -2.737 438 HB VAL 55 HB VAL 55 5.769 -0.852 -1.745 439 HG11 VAL 55 1HG1 VAL 55 3.250 -1.093 -1.514 440 HG12 VAL 55 2HG1 VAL 55 3.568 -2.168 -0.131 441 HG13 VAL 55 3HG1 VAL 55 4.109 -0.473 -0.084 442 HG21 VAL 55 1HG2 VAL 55 6.061 -3.426 -0.233 443 HG22 VAL 55 2HG2 VAL 55 7.266 -2.165 -0.585 444 HG23 VAL 55 3HG2 VAL 55 6.033 -1.892 0.669 445 H VAL 56 H VAL 56 2.881 -3.221 -3.787 446 HA VAL 56 HA VAL 56 2.398 -5.705 -2.367 447 HB VAL 56 HB VAL 56 0.280 -3.561 -2.471 448 HG11 VAL 56 1HG1 VAL 56 0.491 -6.335 -1.398 449 HG12 VAL 56 2HG1 VAL 56 -0.422 -5.154 -0.428 450 HG13 VAL 56 3HG1 VAL 56 -0.898 -5.482 -2.112 451 HG21 VAL 56 1HG2 VAL 56 0.729 -3.294 0.004 452 HG22 VAL 56 2HG2 VAL 56 2.255 -4.175 -0.254 453 HG23 VAL 56 3HG2 VAL 56 1.974 -2.621 -1.075 454 H ASP 57 H ASP 57 1.641 -7.231 -3.764 455 HA ASP 57 HA ASP 57 -0.085 -6.549 -5.864 456 HB2 ASP 57 1HB ASP 57 1.884 -5.737 -7.011 457 HB3 ASP 57 2HB ASP 57 2.838 -7.114 -6.498 458 H GLY 58 H GLY 58 -1.265 -8.451 -6.250 459 HA2 GLY 58 1HA GLY 58 -0.436 -10.961 -6.723 460 HA3 GLY 58 2HA GLY 58 -0.366 -10.892 -4.973 461 H GLU 59 H GLU 59 -2.166 -12.543 -6.615 462 HA GLU 59 HA GLU 59 -4.697 -11.310 -6.637 463 HB2 GLU 59 1HB GLU 59 -4.082 -13.176 -8.152 464 HB3 GLU 59 2HB GLU 59 -3.916 -14.256 -6.782 465 HG2 GLU 59 1HG GLU 59 -6.353 -13.783 -6.203 466 HG3 GLU 59 2HG GLU 59 -6.480 -12.869 -7.693 467 H LEU 60 H LEU 60 -5.949 -10.860 -4.883 468 HA LEU 60 HA LEU 60 -5.313 -11.562 -2.312 469 HB2 LEU 60 1HB LEU 60 -7.902 -10.739 -3.609 470 HB3 LEU 60 2HB LEU 60 -7.778 -11.022 -1.884 471 HG LEU 60 HG LEU 60 -5.982 -9.064 -3.325 472 HD11 LEU 60 1HD1 LEU 60 -7.545 -7.291 -2.477 473 HD12 LEU 60 2HD1 LEU 60 -8.185 -8.290 -3.804 474 HD13 LEU 60 3HD1 LEU 60 -8.721 -8.582 -2.133 475 HD21 LEU 60 1HD2 LEU 60 -5.028 -8.777 -1.346 476 HD22 LEU 60 2HD2 LEU 60 -6.601 -8.384 -0.611 477 HD23 LEU 60 3HD2 LEU 60 -6.049 -10.075 -0.680 478 H TYR 61 H TYR 61 -6.759 -12.911 -0.780 479 HA TYR 61 HA TYR 61 -6.551 -15.583 -1.549 480 HB2 TYR 61 1HB TYR 61 -6.559 -14.700 0.794 481 HB3 TYR 61 2HB TYR 61 -8.165 -14.037 0.570 482 HD1 TYR 61 1HD TYR 61 -10.140 -15.575 0.405 483 HD2 TYR 61 2HD TYR 61 -6.230 -17.000 1.398 484 HE1 TYR 61 1HE TYR 61 -11.147 -17.725 1.313 485 HE2 TYR 61 2HE TYR 61 -7.250 -19.146 2.303 486 HH TYR 61 HH TYR 61 -9.682 -20.396 1.652 487 H ASN 62 H ASN 62 -9.271 -13.250 -1.675 488 HA ASN 62 HA ASN 62 -10.584 -14.929 -3.530 489 HB2 ASN 62 1HB ASN 62 -11.255 -15.876 -1.215 490 HB3 ASN 62 2HB ASN 62 -12.072 -14.354 -0.920 491 HD21 ASN 62 1HD2 ASN 62 -14.061 -15.368 -0.778 492 HD22 ASN 62 2HD2 ASN 62 -14.932 -15.947 -2.158 493 H GLU 63 H GLU 63 -12.880 -13.797 -4.045 494 HA GLU 63 HA GLU 63 -12.372 -11.203 -4.731 495 HB2 GLU 63 1HB GLU 63 -15.026 -12.651 -4.349 496 HB3 GLU 63 2HB GLU 63 -14.890 -11.074 -5.102 497 HG2 GLU 63 1HG GLU 63 -13.428 -11.987 -6.865 498 HG3 GLU 63 2HG GLU 63 -13.388 -13.550 -6.074 499 H VAL 64 H VAL 64 -12.858 -9.158 -3.845 500 HA VAL 64 HA VAL 64 -14.110 -9.170 -1.201 501 HB VAL 64 HB VAL 64 -12.348 -7.452 -0.554 502 HG11 VAL 64 1HG1 VAL 64 -11.417 -9.089 0.664 503 HG12 VAL 64 2HG1 VAL 64 -12.479 -10.202 -0.231 504 HG13 VAL 64 3HG1 VAL 64 -10.808 -9.933 -0.780 505 HG21 VAL 64 1HG2 VAL 64 -10.644 -8.796 -2.657 506 HG22 VAL 64 2HG2 VAL 64 -11.520 -7.283 -2.987 507 HG23 VAL 64 3HG2 VAL 64 -10.296 -7.339 -1.696 508 H LYS 65 H LYS 65 -15.518 -7.471 -0.874 509 HA LYS 65 HA LYS 65 -16.402 -6.065 -3.115 510 HB2 LYS 65 1HB LYS 65 -17.520 -6.684 -0.796 511 HB3 LYS 65 2HB LYS 65 -16.952 -5.092 -0.333 512 HG2 LYS 65 1HG LYS 65 -18.540 -4.049 -1.588 513 HG3 LYS 65 2HG LYS 65 -18.183 -5.028 -2.996 514 HD2 LYS 65 1HD LYS 65 -19.606 -6.846 -2.184 515 HD3 LYS 65 2HD LYS 65 -19.824 -6.053 -0.636 516 HE2 LYS 65 1HE LYS 65 -21.036 -4.186 -1.718 517 HE3 LYS 65 2HE LYS 65 -20.733 -4.869 -3.303 518 HZ1 LYS 65 1HZ LYS 65 -22.786 -5.673 -2.827 519 HZ2 LYS 65 2HZ LYS 65 -21.886 -6.915 -2.264 520 HZ3 LYS 65 3HZ LYS 65 -22.519 -5.828 -1.223 521 H VAL 66 H VAL 66 -14.711 -4.967 -4.162 522 HA VAL 66 HA VAL 66 -12.983 -3.237 -2.720 523 HB VAL 66 HB VAL 66 -11.942 -2.905 -4.729 524 HG11 VAL 66 1HG1 VAL 66 -12.353 -5.403 -4.146 525 HG12 VAL 66 2HG1 VAL 66 -13.426 -5.393 -5.567 526 HG13 VAL 66 3HG1 VAL 66 -11.702 -4.990 -5.751 527 HG21 VAL 66 1HG2 VAL 66 -13.784 -1.760 -5.858 528 HG22 VAL 66 2HG2 VAL 66 -13.033 -2.958 -6.940 529 HG23 VAL 66 3HG2 VAL 66 -14.591 -3.319 -6.157 530 H GLU 67 H GLU 67 -16.144 -2.956 -4.316 531 HA GLU 67 HA GLU 67 -16.163 -0.223 -4.660 532 HB2 GLU 67 1HB GLU 67 -18.082 -2.428 -4.695 533 HB3 GLU 67 2HB GLU 67 -18.811 -0.990 -4.007 534 HG2 GLU 67 1HG GLU 67 -17.536 0.154 -6.127 535 HG3 GLU 67 2HG GLU 67 -17.773 -1.452 -6.785 536 H GLU 68 H GLU 68 -16.337 -2.185 -1.762 537 HA GLU 68 HA GLU 68 -17.272 0.136 -0.273 538 HB2 GLU 68 1HB GLU 68 -17.244 -2.837 0.360 539 HB3 GLU 68 2HB GLU 68 -17.504 -1.638 1.611 540 HG2 GLU 68 1HG GLU 68 -19.185 -1.039 -0.700 541 HG3 GLU 68 2HG GLU 68 -19.435 -2.699 -0.196 542 H SER 69 H SER 69 -14.458 -1.507 -1.226 543 HA SER 69 HA SER 69 -13.027 -1.367 1.189 544 HB2 SER 69 1HB SER 69 -12.069 -1.523 -1.704 545 HB3 SER 69 2HB SER 69 -11.028 -1.727 -0.309 546 HG SER 69 HG SER 69 -13.381 -3.337 -0.455 547 H SER 70 H SER 70 -11.653 0.265 1.992 548 HA SER 70 HA SER 70 -11.332 2.602 0.311 549 HB2 SER 70 1HB SER 70 -11.851 4.055 2.344 550 HB3 SER 70 2HB SER 70 -13.229 3.257 1.614 551 HG SER 70 HG SER 70 -12.711 3.173 4.128 552 H TRP 71 H TRP 71 -9.274 3.507 0.500 553 HA TRP 71 HA TRP 71 -7.613 2.430 2.678 554 HB2 TRP 71 1HB TRP 71 -5.763 2.320 1.232 555 HB3 TRP 71 2HB TRP 71 -7.093 1.531 0.406 556 HD1 TRP 71 HD TRP 71 -8.131 2.869 -1.771 557 HE1 TRP 71 1HE TRP 71 -7.163 4.681 -3.427 558 HE3 TRP 71 3HE TRP 71 -4.253 4.275 1.202 559 HZ2 TRP 71 2HZ TRP 71 -4.934 6.459 -3.310 560 HZ3 TRP 71 3HZ TRP 71 -2.727 6.056 0.356 561 HH2 TRP 71 HH TRP 71 -3.019 7.138 -1.816 562 H LEU 72 H LEU 72 -5.813 3.968 3.313 563 HA LEU 72 HA LEU 72 -6.027 6.684 2.499 564 HB2 LEU 72 1HB LEU 72 -7.048 7.683 4.268 565 HB3 LEU 72 2HB LEU 72 -8.006 6.224 4.106 566 HG LEU 72 HG LEU 72 -6.085 5.418 5.896 567 HD11 LEU 72 1HD1 LEU 72 -5.905 8.244 5.852 568 HD12 LEU 72 2HD1 LEU 72 -6.715 7.792 7.371 569 HD13 LEU 72 3HD1 LEU 72 -5.124 7.100 6.971 570 HD21 LEU 72 1HD2 LEU 72 -8.107 6.317 7.533 571 HD22 LEU 72 2HD2 LEU 72 -8.914 6.173 5.953 572 HD23 LEU 72 3HD2 LEU 72 -8.080 4.767 6.658 573 H ILE 73 H ILE 73 -4.473 8.066 3.908 574 HA ILE 73 HA ILE 73 -2.218 6.322 4.608 575 HB ILE 73 HB ILE 73 -2.255 9.172 3.608 576 HG12 ILE 73 1HG1 ILE 73 -1.011 6.880 2.132 577 HG13 ILE 73 2HG1 ILE 73 -2.752 7.073 2.064 578 HG21 ILE 73 1HG2 ILE 73 0.037 9.277 3.818 579 HG22 ILE 73 2HG2 ILE 73 -0.416 8.383 5.289 580 HG23 ILE 73 3HG2 ILE 73 0.226 7.508 3.878 581 HD11 ILE 73 1HD1 ILE 73 -2.549 8.770 0.581 582 HD12 ILE 73 2HD1 ILE 73 -1.504 9.669 1.706 583 HD13 ILE 73 3HD1 ILE 73 -0.790 8.500 0.571 584 H GLU 74 H GLU 74 -2.058 6.024 6.764 585 HA GLU 74 HA GLU 74 -3.219 7.929 8.523 586 HB2 GLU 74 1HB GLU 74 -1.834 5.267 8.809 587 HB3 GLU 74 2HB GLU 74 -1.975 6.283 10.230 588 HG2 GLU 74 1HG GLU 74 -4.524 6.277 8.849 589 HG3 GLU 74 2HG GLU 74 -3.991 4.618 9.038 590 H ASP 75 H ASP 75 -2.138 9.305 10.029 591 HA ASP 75 HA ASP 75 -0.633 10.840 10.447 592 HB2 ASP 75 1HB ASP 75 0.728 8.188 10.809 593 HB3 ASP 75 2HB ASP 75 1.762 9.601 10.874 594 H GLY 76 H GLY 76 -0.946 10.155 7.539 595 HA2 GLY 76 1HA GLY 76 0.139 10.275 5.544 596 HA3 GLY 76 2HA GLY 76 0.769 11.743 6.265 597 H LYS 77 H LYS 77 1.395 8.208 6.867 598 HA LYS 77 HA LYS 77 4.140 8.616 6.004 599 HB2 LYS 77 1HB LYS 77 4.951 7.468 8.108 600 HB3 LYS 77 2HB LYS 77 4.428 9.130 8.287 601 HG2 LYS 77 1HG LYS 77 2.237 8.398 9.157 602 HG3 LYS 77 2HG LYS 77 2.641 6.720 8.857 603 HD2 LYS 77 1HD LYS 77 4.785 7.785 10.423 604 HD3 LYS 77 2HD LYS 77 3.307 8.372 11.159 605 HE2 LYS 77 1HE LYS 77 2.419 5.977 11.105 606 HE3 LYS 77 2HE LYS 77 4.002 5.459 10.559 607 HZ1 LYS 77 1HZ LYS 77 3.196 5.988 13.148 608 HZ2 LYS 77 2HZ LYS 77 4.672 5.511 12.638 609 HZ3 LYS 77 3HZ LYS 77 4.330 7.102 12.775 610 H VAL 78 H VAL 78 1.587 6.398 7.274 611 HA VAL 78 HA VAL 78 2.712 4.341 5.501 612 HB VAL 78 HB VAL 78 2.405 2.789 7.083 613 HG11 VAL 78 1HG1 VAL 78 3.499 4.959 8.154 614 HG12 VAL 78 2HG1 VAL 78 2.046 4.895 9.181 615 HG13 VAL 78 3HG1 VAL 78 3.161 3.509 9.129 616 HG21 VAL 78 1HG2 VAL 78 0.516 2.675 8.645 617 HG22 VAL 78 2HG2 VAL 78 -0.023 4.289 8.122 618 HG23 VAL 78 3HG2 VAL 78 -0.046 2.928 6.976 619 H VAL 79 H VAL 79 1.230 3.104 4.221 620 HA VAL 79 HA VAL 79 -1.262 4.560 3.753 621 HB VAL 79 HB VAL 79 0.531 2.803 2.112 622 HG11 VAL 79 1HG1 VAL 79 -1.211 2.798 0.324 623 HG12 VAL 79 2HG1 VAL 79 -1.647 1.822 1.747 624 HG13 VAL 79 3HG1 VAL 79 -2.379 3.427 1.511 625 HG21 VAL 79 1HG2 VAL 79 0.396 5.492 2.350 626 HG22 VAL 79 2HG2 VAL 79 0.900 4.661 0.860 627 HG23 VAL 79 3HG2 VAL 79 -0.773 5.245 1.030 628 H THR 80 H THR 80 -3.124 3.754 4.558 629 HA THR 80 HA THR 80 -3.129 0.912 5.310 630 HB THR 80 HB THR 80 -5.191 1.848 6.679 631 HG1 THR 80 1HG THR 80 -4.927 4.184 6.936 632 HG21 THR 80 1HG2 THR 80 -2.438 2.989 7.370 633 HG22 THR 80 2HG2 THR 80 -3.759 2.602 8.499 634 HG23 THR 80 3HG2 THR 80 -2.882 1.292 7.671 635 H VAL 81 H VAL 81 -4.590 -0.525 4.499 636 HA VAL 81 HA VAL 81 -6.553 0.589 2.623 637 HB VAL 81 HB VAL 81 -4.695 -1.762 2.233 638 HG11 VAL 81 1HG1 VAL 81 -5.973 -1.642 -0.116 639 HG12 VAL 81 2HG1 VAL 81 -6.545 -2.655 1.233 640 HG13 VAL 81 3HG1 VAL 81 -7.291 -1.066 0.934 641 HG21 VAL 81 1HG2 VAL 81 -3.901 0.631 1.766 642 HG22 VAL 81 2HG2 VAL 81 -3.740 -0.552 0.446 643 HG23 VAL 81 3HG2 VAL 81 -5.068 0.633 0.422 644 H HIS 82 H HIS 82 -8.595 0.009 3.148 645 HA HIS 82 HA HIS 82 -8.864 -2.260 4.970 646 HB2 HIS 82 1HB HIS 82 -9.697 -0.271 5.956 647 HB3 HIS 82 2HB HIS 82 -10.537 0.207 4.495 648 HD1 HIS 82 1HD HIS 82 -10.803 -2.152 7.434 649 HD2 HIS 82 2HD HIS 82 -13.075 -0.953 4.119 650 HE1 HIS 82 1HE HIS 82 -13.150 -3.083 7.802 651 H LEU 83 H LEU 83 -9.400 -4.142 3.991 652 HA LEU 83 HA LEU 83 -10.927 -3.970 1.504 653 HB2 LEU 83 1HB LEU 83 -9.271 -6.185 2.716 654 HB3 LEU 83 2HB LEU 83 -10.222 -6.353 1.254 655 HG LEU 83 HG LEU 83 -7.757 -4.675 1.706 656 HD11 LEU 83 1HD1 LEU 83 -8.503 -6.947 -0.134 657 HD12 LEU 83 2HD1 LEU 83 -7.099 -5.897 -0.440 658 HD13 LEU 83 3HD1 LEU 83 -7.184 -6.856 1.057 659 HD21 LEU 83 1HD2 LEU 83 -9.183 -3.147 0.588 660 HD22 LEU 83 2HD2 LEU 83 -8.108 -3.837 -0.651 661 HD23 LEU 83 3HD2 LEU 83 -9.790 -4.404 -0.517 662 H GLU 84 H GLU 84 -12.734 -5.503 1.174 663 HA GLU 84 HA GLU 84 -13.903 -6.344 3.700 664 HB2 GLU 84 1HB GLU 84 -15.006 -4.412 1.712 665 HB3 GLU 84 2HB GLU 84 -16.139 -5.622 2.281 666 HG2 GLU 84 1HG GLU 84 -14.717 -4.720 4.593 667 HG3 GLU 84 2HG GLU 84 -15.119 -3.281 3.677 668 H LYS 85 H LYS 85 -14.129 -8.532 3.585 669 HA LYS 85 HA LYS 85 -13.971 -9.934 1.171 670 HB2 LYS 85 1HB LYS 85 -14.923 -10.783 3.922 671 HB3 LYS 85 2HB LYS 85 -14.645 -11.886 2.589 672 HG2 LYS 85 1HG LYS 85 -12.339 -11.670 2.697 673 HG3 LYS 85 2HG LYS 85 -12.407 -9.988 3.184 674 HD2 LYS 85 1HD LYS 85 -13.044 -10.619 5.476 675 HD3 LYS 85 2HD LYS 85 -13.177 -12.305 5.018 676 HE2 LYS 85 1HE LYS 85 -10.656 -12.039 4.256 677 HE3 LYS 85 2HE LYS 85 -10.671 -10.613 5.275 678 HZ1 LYS 85 1HZ LYS 85 -10.814 -13.379 6.025 679 HZ2 LYS 85 2HZ LYS 85 -10.182 -12.110 6.835 680 HZ3 LYS 85 3HZ LYS 85 -11.791 -12.387 6.878 681 H ILE 86 H ILE 86 -15.637 -11.311 0.158 682 HA ILE 86 HA ILE 86 -18.074 -9.809 -0.106 683 HB ILE 86 HB ILE 86 -17.108 -12.336 -1.450 684 HG12 ILE 86 1HG1 ILE 86 -15.783 -10.135 -1.736 685 HG13 ILE 86 2HG1 ILE 86 -16.235 -11.045 -3.164 686 HG21 ILE 86 1HG2 ILE 86 -19.486 -12.286 -1.598 687 HG22 ILE 86 2HG2 ILE 86 -19.490 -10.552 -2.002 688 HG23 ILE 86 3HG2 ILE 86 -18.842 -11.735 -3.164 689 HD11 ILE 86 1HD1 ILE 86 -17.635 -8.577 -2.047 690 HD12 ILE 86 2HD1 ILE 86 -16.755 -8.715 -3.587 691 HD13 ILE 86 3HD1 ILE 86 -18.300 -9.570 -3.366 692 H ASN 87 H ASN 87 -16.915 -12.790 1.452 693 HA ASN 87 HA ASN 87 -19.632 -13.535 2.053 694 HB2 ASN 87 1HB ASN 87 -18.433 -15.498 3.232 695 HB3 ASN 87 2HB ASN 87 -18.221 -15.408 1.495 696 HD21 ASN 87 1HD2 ASN 87 -16.281 -14.642 0.616 697 HD22 ASN 87 2HD2 ASN 87 -14.796 -14.634 1.508 698 H LYS 88 H LYS 88 -16.533 -12.500 3.610 699 HA LYS 88 HA LYS 88 -16.069 -11.615 5.577 700 HB2 LYS 88 1HB LYS 88 -18.993 -10.889 5.409 701 HB3 LYS 88 2HB LYS 88 -18.027 -10.455 6.804 702 HG2 LYS 88 1HG LYS 88 -16.350 -9.656 4.768 703 HG3 LYS 88 2HG LYS 88 -17.911 -9.400 4.014 704 HD2 LYS 88 1HD LYS 88 -17.066 -8.286 6.732 705 HD3 LYS 88 2HD LYS 88 -17.118 -7.371 5.239 706 HE2 LYS 88 1HE LYS 88 -19.631 -8.825 6.030 707 HE3 LYS 88 2HE LYS 88 -19.191 -7.424 6.986 708 HZ1 LYS 88 1HZ LYS 88 -19.972 -7.560 4.213 709 HZ2 LYS 88 2HZ LYS 88 -20.296 -6.415 5.332 710 HZ3 LYS 88 3HZ LYS 88 -18.841 -6.444 4.590 711 H MET 89 H MET 89 -16.271 -14.385 5.462 712 HA MET 89 HA MET 89 -16.690 -14.929 8.194 713 HB2 MET 89 1HB MET 89 -18.486 -16.630 7.907 714 HB3 MET 89 2HB MET 89 -19.057 -15.068 7.356 715 HG2 MET 89 1HG MET 89 -19.609 -16.100 5.401 716 HG3 MET 89 2HG MET 89 -17.894 -16.139 5.046 717 HE1 MET 89 1HE MET 89 -20.813 -19.043 5.204 718 HE2 MET 89 2HE MET 89 -20.580 -19.135 6.966 719 HE3 MET 89 3HE MET 89 -20.926 -17.569 6.195 720 H GLU 90 H GLU 90 -14.562 -15.060 6.163 721 HA GLU 90 HA GLU 90 -14.075 -17.927 6.341 722 HB2 GLU 90 1HB GLU 90 -14.639 -17.328 3.997 723 HB3 GLU 90 2HB GLU 90 -13.374 -16.115 3.988 724 HG2 GLU 90 1HG GLU 90 -12.209 -17.885 3.035 725 HG3 GLU 90 2HG GLU 90 -11.825 -18.166 4.721 726 H TRP 91 H TRP 91 -11.920 -18.536 6.870 727 HA TRP 91 HA TRP 91 -10.357 -16.341 7.973 728 HB2 TRP 91 1HB TRP 91 -10.744 -18.075 9.518 729 HB3 TRP 91 2HB TRP 91 -10.352 -19.327 8.356 730 HD1 TRP 91 HD TRP 91 -7.997 -20.344 8.800 731 HE1 TRP 91 1HE TRP 91 -5.673 -19.610 9.813 732 HE3 TRP 91 3HE TRP 91 -9.342 -15.536 9.764 733 HZ2 TRP 91 2HZ TRP 91 -4.681 -17.156 10.879 734 HZ3 TRP 91 3HZ TRP 91 -7.637 -14.037 10.792 735 HH2 TRP 91 HH TRP 91 -5.374 -14.777 11.347 736 H TRP 92 H TRP 92 -8.575 -15.560 6.915 737 HA TRP 92 HA TRP 92 -7.779 -16.934 4.479 738 HB2 TRP 92 1HB TRP 92 -7.183 -14.197 5.604 739 HB3 TRP 92 2HB TRP 92 -6.410 -14.833 4.165 740 HD1 TRP 92 HD TRP 92 -10.154 -15.534 4.718 741 HE1 TRP 92 1HE TRP 92 -11.639 -14.284 2.931 742 HE3 TRP 92 3HE TRP 92 -6.367 -12.796 2.715 743 HZ2 TRP 92 2HZ TRP 92 -11.077 -12.333 0.926 744 HZ3 TRP 92 3HZ TRP 92 -6.920 -11.242 0.845 745 HH2 TRP 92 HH TRP 92 -9.180 -10.987 -0.050 746 H ASN 93 H ASN 93 -5.505 -17.465 4.086 747 HA ASN 93 HA ASN 93 -4.049 -17.794 6.592 748 HB2 ASN 93 1HB ASN 93 -4.829 -19.742 4.566 749 HB3 ASN 93 2HB ASN 93 -3.080 -19.654 4.623 750 HD21 ASN 93 1HD2 ASN 93 -3.749 -21.947 5.335 751 HD22 ASN 93 2HD2 ASN 93 -3.832 -22.227 7.043 752 H ARG 94 H ARG 94 -4.236 -15.954 3.882 753 HA ARG 94 HA ARG 94 -1.566 -15.181 3.999 754 HB2 ARG 94 1HB ARG 94 -1.268 -15.715 1.379 755 HB3 ARG 94 2HB ARG 94 -0.786 -16.874 2.602 756 HG2 ARG 94 1HG ARG 94 -2.093 -18.201 1.164 757 HG3 ARG 94 2HG ARG 94 -3.246 -17.778 2.414 758 HD2 ARG 94 1HD ARG 94 -4.436 -16.322 1.032 759 HD3 ARG 94 2HD ARG 94 -3.025 -15.880 0.092 760 HE ARG 94 HE ARG 94 -3.575 -17.577 -1.403 761 HH11 ARG 94 2HH2 ARG 94 -4.934 -18.385 1.741 762 HH12 ARG 94 1HH2 ARG 94 -5.716 -19.823 1.176 763 HH21 ARG 94 2HH1 ARG 94 -4.607 -19.475 -2.149 764 HH22 ARG 94 1HH1 ARG 94 -5.529 -20.447 -1.051 765 H LEU 95 H LEU 95 -1.451 -13.041 3.259 766 HA LEU 95 HA LEU 95 -3.762 -11.672 2.673 767 HB2 LEU 95 1HB LEU 95 -1.678 -10.713 3.553 768 HB3 LEU 95 2HB LEU 95 -0.910 -10.941 1.994 769 HG LEU 95 HG LEU 95 -1.606 -8.616 2.375 770 HD11 LEU 95 1HD1 LEU 95 -2.367 -8.204 0.217 771 HD12 LEU 95 2HD1 LEU 95 -1.579 -9.794 0.076 772 HD13 LEU 95 3HD1 LEU 95 -3.353 -9.686 0.171 773 HD21 LEU 95 1HD2 LEU 95 -4.459 -9.630 2.307 774 HD22 LEU 95 2HD2 LEU 95 -3.592 -9.141 3.782 775 HD23 LEU 95 3HD2 LEU 95 -3.910 -7.948 2.500 776 H VAL 96 H VAL 96 -1.185 -12.847 0.405 777 HA VAL 96 HA VAL 96 -3.227 -12.730 -1.700 778 HB VAL 96 HB VAL 96 -1.253 -12.192 -3.226 779 HG11 VAL 96 1HG1 VAL 96 -2.940 -10.506 -1.596 780 HG12 VAL 96 2HG1 VAL 96 -1.384 -9.699 -1.908 781 HG13 VAL 96 3HG1 VAL 96 -2.380 -10.267 -3.269 782 HG21 VAL 96 1HG2 VAL 96 -0.022 -11.602 -0.526 783 HG22 VAL 96 2HG2 VAL 96 0.637 -12.580 -1.860 784 HG23 VAL 96 3HG2 VAL 96 0.532 -10.810 -2.020 785 H THR 97 H THR 97 -3.086 -14.406 -3.297 786 HA THR 97 HA THR 97 -1.990 -16.835 -2.233 787 HB THR 97 HB THR 97 -3.268 -17.843 -4.018 788 HG1 THR 97 1HG THR 97 -2.972 -15.122 -5.060 789 HG21 THR 97 1HG2 THR 97 -5.358 -17.086 -3.438 790 HG22 THR 97 2HG2 THR 97 -4.508 -15.946 -2.366 791 HG23 THR 97 3HG2 THR 97 -4.994 -15.437 -4.001 792 H SER 98 H SER 98 -1.110 -14.456 -4.736 793 HA SER 98 HA SER 98 1.251 -16.104 -5.209 794 HB2 SER 98 1HB SER 98 1.330 -14.804 -7.453 795 HB3 SER 98 2HB SER 98 0.133 -16.073 -7.288 796 HG SER 98 HG SER 98 -1.503 -14.599 -7.148 797 H ASP 99 H ASP 99 2.912 -15.196 -4.038 798 HA ASP 99 HA ASP 99 2.966 -12.735 -2.974 799 HB2 ASP 99 1HB ASP 99 5.513 -12.983 -3.042 800 HB3 ASP 99 2HB ASP 99 4.638 -14.324 -2.329 801 HA PRO 100 HA PRO 100 3.931 -10.007 -6.269 802 HB2 PRO 100 1HB PRO 100 5.375 -8.039 -5.041 803 HB3 PRO 100 2HB PRO 100 3.628 -8.141 -4.955 804 HG2 PRO 100 1HG PRO 100 5.628 -8.810 -2.884 805 HG3 PRO 100 2HG PRO 100 3.914 -8.498 -2.694 806 HD2 PRO 100 1HD PRO 100 5.208 -11.058 -2.653 807 HD3 PRO 100 2HD PRO 100 3.484 -10.754 -2.580 808 H GLU 101 H GLU 101 6.919 -9.362 -4.579 809 HA GLU 101 HA GLU 101 8.259 -10.709 -6.790 810 HB2 GLU 101 1HB GLU 101 8.740 -7.940 -5.660 811 HB3 GLU 101 2HB GLU 101 10.056 -8.817 -6.415 812 HG2 GLU 101 1HG GLU 101 8.060 -9.191 -8.282 813 HG3 GLU 101 2HG GLU 101 7.621 -7.616 -7.653 814 H ILE 102 H ILE 102 9.463 -8.907 -3.886 815 HA ILE 102 HA ILE 102 11.077 -11.202 -3.207 816 HB ILE 102 HB ILE 102 10.856 -8.460 -1.959 817 HG12 ILE 102 1HG1 ILE 102 13.073 -9.472 -3.744 818 HG13 ILE 102 2HG1 ILE 102 11.657 -8.669 -4.396 819 HG21 ILE 102 1HG2 ILE 102 12.775 -10.748 -1.476 820 HG22 ILE 102 2HG2 ILE 102 13.093 -9.069 -0.977 821 HG23 ILE 102 3HG2 ILE 102 11.698 -9.949 -0.306 822 HD11 ILE 102 1HD1 ILE 102 12.228 -6.608 -3.503 823 HD12 ILE 102 2HD1 ILE 102 13.027 -7.326 -2.084 824 HD13 ILE 102 3HD1 ILE 102 13.860 -7.304 -3.657 825 H ASN 103 H ASN 103 11.162 -11.886 -0.822 826 HA ASN 103 HA ASN 103 8.868 -11.442 0.726 827 HB2 ASN 103 1HB ASN 103 8.250 -13.214 -1.213 828 HB3 ASN 103 2HB ASN 103 9.070 -14.336 -0.145 829 HD21 ASN 103 1HD2 ASN 103 6.348 -12.230 -0.600 830 HD22 ASN 103 2HD2 ASN 103 5.386 -12.758 0.740 831 H THR 104 H THR 104 11.211 -14.114 -0.123 832 HA THR 104 HA THR 104 12.569 -15.347 1.158 833 HB THR 104 HB THR 104 13.805 -13.177 0.881 834 HG1 THR 104 1HG THR 104 15.027 -13.588 3.007 835 HG21 THR 104 1HG2 THR 104 12.450 -12.584 3.558 836 HG22 THR 104 2HG2 THR 104 13.943 -11.769 3.034 837 HG23 THR 104 3HG2 THR 104 12.443 -11.568 2.096 838 H LYS 105 H LYS 105 13.411 -15.564 3.681 839 HA LYS 105 HA LYS 105 10.895 -16.047 5.080 840 HB2 LYS 105 1HB LYS 105 12.028 -17.738 6.284 841 HB3 LYS 105 2HB LYS 105 12.521 -17.919 4.612 842 HG2 LYS 105 1HG LYS 105 14.600 -16.558 5.132 843 HG3 LYS 105 2HG LYS 105 14.119 -16.533 6.817 844 HD2 LYS 105 1HD LYS 105 13.964 -19.197 6.446 845 HD3 LYS 105 2HD LYS 105 15.094 -18.852 5.152 846 HE2 LYS 105 1HE LYS 105 16.164 -17.359 7.237 847 HE3 LYS 105 2HE LYS 105 15.500 -18.735 8.095 848 HZ1 LYS 105 1HZ LYS 105 17.410 -19.667 7.479 849 HZ2 LYS 105 2HZ LYS 105 16.681 -19.918 6.039 850 HZ3 LYS 105 3HZ LYS 105 17.677 -18.639 6.238 851 H LYS 106 H LYS 106 10.309 -14.919 6.875 852 HA LYS 106 HA LYS 106 10.363 -13.414 8.488 853 HB2 LYS 106 1HB LYS 106 12.023 -14.912 9.484 854 HB3 LYS 106 2HB LYS 106 13.314 -14.102 8.620 855 HG2 LYS 106 1HG LYS 106 13.438 -12.947 10.629 856 HG3 LYS 106 2HG LYS 106 12.295 -11.918 9.789 857 HD2 LYS 106 1HD LYS 106 10.530 -13.683 10.851 858 HD3 LYS 106 2HD LYS 106 11.813 -13.865 12.031 859 HE2 LYS 106 1HE LYS 106 11.797 -11.184 11.985 860 HE3 LYS 106 2HE LYS 106 10.169 -11.414 11.378 861 HZ1 LYS 106 1HZ LYS 106 10.269 -13.119 13.434 862 HZ2 LYS 106 2HZ LYS 106 11.201 -11.898 13.990 863 HZ3 LYS 106 3HZ LYS 106 9.666 -11.603 13.515 864 H ILE 107 H ILE 107 10.349 -11.179 8.596 865 HA ILE 107 HA ILE 107 12.101 -9.823 6.669 866 HB ILE 107 HB ILE 107 9.237 -9.072 7.243 867 HG12 ILE 107 1HG1 ILE 107 9.448 -11.327 6.152 868 HG13 ILE 107 2HG1 ILE 107 8.554 -10.131 5.235 869 HG21 ILE 107 1HG2 ILE 107 9.760 -7.939 4.896 870 HG22 ILE 107 2HG2 ILE 107 10.145 -7.143 6.441 871 HG23 ILE 107 3HG2 ILE 107 11.423 -7.984 5.530 872 HD11 ILE 107 1HD1 ILE 107 11.256 -9.790 4.439 873 HD12 ILE 107 2HD1 ILE 107 10.991 -11.549 4.505 874 HD13 ILE 107 3HD1 ILE 107 9.942 -10.528 3.492 875 H ASN 108 H ASN 108 9.734 -9.016 9.312 876 HA ASN 108 HA ASN 108 11.925 -7.837 10.760 877 HB2 ASN 108 1HB ASN 108 10.954 -5.998 9.305 878 HB3 ASN 108 2HB ASN 108 9.394 -6.257 10.059 879 HD21 ASN 108 1HD2 ASN 108 12.335 -4.642 10.191 880 HD22 ASN 108 2HD2 ASN 108 12.232 -3.944 11.772 881 HA PRO 109 HA PRO 109 9.353 -9.475 13.925 882 HB2 PRO 109 1HB PRO 109 10.628 -8.489 16.132 883 HB3 PRO 109 2HB PRO 109 11.166 -9.919 15.275 884 HG2 PRO 109 1HG PRO 109 12.326 -7.201 15.254 885 HG3 PRO 109 2HG PRO 109 13.064 -8.713 14.765 886 HD2 PRO 109 1HD PRO 109 12.029 -6.671 13.037 887 HD3 PRO 109 2HD PRO 109 12.661 -8.232 12.553 888 H GLU 110 H GLU 110 10.231 -6.094 14.451 889 HA GLU 110 HA GLU 110 9.069 -4.489 15.412 890 HB2 GLU 110 1HB GLU 110 8.089 -5.085 12.903 891 HB3 GLU 110 2HB GLU 110 6.612 -5.092 13.846 892 HG2 GLU 110 1HG GLU 110 6.612 -2.828 13.969 893 HG3 GLU 110 2HG GLU 110 8.220 -2.822 14.666 894 H ASN 111 H ASN 111 8.967 -6.739 17.087 895 HA ASN 111 HA ASN 111 6.263 -6.450 18.126 896 HB2 ASN 111 1HB ASN 111 6.490 -8.714 17.116 897 HB3 ASN 111 2HB ASN 111 7.955 -9.004 18.033 898 HD21 ASN 111 1HD2 ASN 111 4.606 -9.263 17.944 899 HD22 ASN 111 2HD2 ASN 111 4.291 -9.723 19.584 900 H SER 112 H SER 112 7.206 -4.806 19.587 901 HA SER 112 HA SER 112 8.517 -6.044 21.824 902 HB2 SER 112 1HB SER 112 9.725 -3.682 20.321 903 HB3 SER 112 2HB SER 112 10.232 -4.173 21.925 904 HG SER 112 HG SER 112 10.365 -6.423 20.604 905 H LYS 113 H LYS 113 6.106 -5.537 22.336 906 HA LYS 113 HA LYS 113 6.062 -3.145 23.884 907 HB2 LYS 113 1HB LYS 113 4.195 -2.048 22.804 908 HB3 LYS 113 2HB LYS 113 5.529 -2.198 21.677 909 HG2 LYS 113 1HG LYS 113 4.467 -4.184 20.636 910 HG3 LYS 113 2HG LYS 113 3.164 -4.129 21.807 911 HD2 LYS 113 1HD LYS 113 2.048 -2.556 20.607 912 HD3 LYS 113 2HD LYS 113 3.456 -1.515 20.548 913 HE2 LYS 113 1HE LYS 113 4.314 -3.238 18.714 914 HE3 LYS 113 2HE LYS 113 2.622 -3.680 18.597 915 HZ1 LYS 113 1HZ LYS 113 3.744 -0.993 18.219 916 HZ2 LYS 113 2HZ LYS 113 3.086 -1.949 17.071 917 HZ3 LYS 113 3HZ LYS 113 2.143 -1.315 18.244 918 H LEU 114 H LEU 114 4.312 -3.163 25.425 919 HA LEU 114 HA LEU 114 3.013 -5.795 25.549 920 HB2 LEU 114 1HB LEU 114 3.854 -3.953 27.791 921 HB3 LEU 114 2HB LEU 114 2.978 -5.457 27.989 922 HG LEU 114 HG LEU 114 5.515 -5.688 26.484 923 HD11 LEU 114 1HD1 LEU 114 6.828 -4.587 27.894 924 HD12 LEU 114 2HD1 LEU 114 5.461 -4.230 28.976 925 HD13 LEU 114 3HD1 LEU 114 6.368 -5.751 29.159 926 HD21 LEU 114 1HD2 LEU 114 5.214 -7.811 27.043 927 HD22 LEU 114 2HD2 LEU 114 5.297 -7.398 28.772 928 HD23 LEU 114 3HD2 LEU 114 3.734 -7.358 27.922 929 H SER 115 H SER 115 2.182 -3.267 24.092 930 HA SER 115 HA SER 115 -0.263 -2.806 25.616 931 HB2 SER 115 1HB SER 115 -0.398 -0.671 24.175 932 HB3 SER 115 2HB SER 115 0.818 -0.703 25.436 933 HG SER 115 HG SER 115 1.536 0.063 23.255 934 H ASP 116 H ASP 116 -1.257 -4.733 24.675 935 HA ASP 116 HA ASP 116 -1.810 -4.390 21.832 936 HB2 ASP 116 1HB ASP 116 -1.661 -6.911 23.545 937 HB3 ASP 116 2HB ASP 116 -2.315 -6.908 21.919 938 H LEU 117 H LEU 117 -3.709 -3.044 22.330 939 HA LEU 117 HA LEU 117 -5.826 -4.466 23.783 940 HB2 LEU 117 1HB LEU 117 -6.830 -2.199 24.034 941 HB3 LEU 117 2HB LEU 117 -5.333 -2.467 24.904 942 HG LEU 117 HG LEU 117 -5.297 -1.140 22.202 943 HD11 LEU 117 1HD1 LEU 117 -6.208 0.039 24.802 944 HD12 LEU 117 2HD1 LEU 117 -5.266 1.037 23.669 945 HD13 LEU 117 3HD1 LEU 117 -6.806 0.312 23.147 946 HD21 LEU 117 1HD2 LEU 117 -3.145 -0.723 22.631 947 HD22 LEU 117 2HD2 LEU 117 -3.478 -0.217 24.304 948 HD23 LEU 117 3HD2 LEU 117 -3.299 -1.945 23.916 949 H ASP 118 H ASP 118 -7.852 -4.767 22.818 950 HA ASP 118 HA ASP 118 -7.998 -3.884 20.049 951 HB2 ASP 118 1HB ASP 118 -9.350 -6.153 19.785 952 HB3 ASP 118 2HB ASP 118 -7.602 -6.147 19.665 953 H SER 119 H SER 119 -9.947 -2.795 19.676 954 HA SER 119 HA SER 119 -12.271 -3.610 21.139 955 HB2 SER 119 1HB SER 119 -12.708 -1.123 21.762 956 HB3 SER 119 2HB SER 119 -11.595 -2.037 22.759 957 HG SER 119 HG SER 119 -11.126 0.214 21.241 958 H GLU 120 H GLU 120 -13.675 -3.895 19.442 959 HA GLU 120 HA GLU 120 -14.502 -1.740 17.922 960 HB2 GLU 120 1HB GLU 120 -12.248 -3.291 16.781 961 HB3 GLU 120 2HB GLU 120 -13.617 -3.142 15.696 962 HG2 GLU 120 1HG GLU 120 -13.416 -0.561 16.713 963 HG3 GLU 120 2HG GLU 120 -11.735 -1.055 16.659 964 H THR 121 H THR 121 -16.589 -2.214 17.329 965 HA THR 121 HA THR 121 -17.305 -4.819 16.394 966 HB THR 121 HB THR 121 -18.031 -3.900 19.215 967 HG1 THR 121 1HG THR 121 -17.133 -6.055 19.569 968 HG21 THR 121 1HG2 THR 121 -20.142 -4.699 18.261 969 HG22 THR 121 2HG2 THR 121 -19.312 -6.050 17.452 970 HG23 THR 121 3HG2 THR 121 -19.451 -6.026 19.226 971 H ARG 122 H ARG 122 -19.592 -4.926 15.728 972 HA ARG 122 HA ARG 122 -20.893 -2.365 15.678 973 HB2 ARG 122 1HB ARG 122 -19.435 -3.447 13.394 974 HB3 ARG 122 2HB ARG 122 -21.142 -3.366 13.004 975 HG2 ARG 122 1HG ARG 122 -20.791 -0.926 14.239 976 HG3 ARG 122 2HG ARG 122 -19.208 -1.153 13.521 977 HD2 ARG 122 1HD ARG 122 -20.122 -0.365 11.587 978 HD3 ARG 122 2HD ARG 122 -20.913 -1.923 11.447 979 HE ARG 122 HE ARG 122 -22.927 -0.825 11.832 980 HH11 ARG 122 2HH2 ARG 122 -20.367 0.975 13.441 981 HH12 ARG 122 1HH2 ARG 122 -21.429 2.212 14.024 982 HH21 ARG 122 2HH1 ARG 122 -24.328 0.807 12.601 983 HH22 ARG 122 1HH1 ARG 122 -23.697 2.117 13.543 984 H SER 123 H SER 123 -23.076 -2.772 14.165 985 HA SER 123 HA SER 123 -24.024 -5.399 14.133 986 HB2 SER 123 1HB SER 123 -24.175 -4.188 16.685 987 HB3 SER 123 2HB SER 123 -25.796 -4.048 16.034 988 HG SER 123 HG SER 123 -24.406 -6.315 16.887 989 H MET 124 H MET 124 -26.507 -5.374 13.611 990 HA MET 124 HA MET 124 -27.140 -2.831 12.327 991 HB2 MET 124 1HB MET 124 -26.628 -5.391 11.120 992 HB3 MET 124 2HB MET 124 -28.357 -5.137 10.990 993 HG2 MET 124 1HG MET 124 -27.556 -2.670 10.212 994 HG3 MET 124 2HG MET 124 -26.106 -3.548 9.769 995 HE1 MET 124 1HE MET 124 -28.091 -2.815 6.603 996 HE2 MET 124 2HE MET 124 -29.386 -2.473 7.776 997 HE3 MET 124 3HE MET 124 -27.722 -1.931 8.103 998 H VAL 125 H VAL 125 -29.463 -2.366 12.091 999 HA VAL 125 HA VAL 125 -31.293 -4.127 13.454 1000 HB VAL 125 HB VAL 125 -30.419 -2.984 15.349 1001 HG11 VAL 125 1HG1 VAL 125 -31.103 -0.274 14.233 1002 HG12 VAL 125 2HG1 VAL 125 -29.976 -0.713 15.539 1003 HG13 VAL 125 3HG1 VAL 125 -29.541 -1.033 13.843 1004 HG21 VAL 125 1HG2 VAL 125 -32.752 -3.266 15.564 1005 HG22 VAL 125 2HG2 VAL 125 -32.449 -1.578 16.041 1006 HG23 VAL 125 3HG2 VAL 125 -33.105 -1.943 14.427 1007 H SER 126 H SER 126 -32.890 -4.258 11.967 1008 HA SER 126 HA SER 126 -34.216 -3.721 10.320 1009 HB2 SER 126 1HB SER 126 -35.785 -1.974 10.775 1010 HB3 SER 126 2HB SER 126 -35.253 -2.552 12.341 1011 HG SER 126 HG SER 126 -35.315 -0.122 11.922 1012 H GLY 127 H GLY 127 -34.837 -0.893 9.378 1013 HA2 GLY 127 1HA GLY 127 -33.167 0.837 8.554 1014 HA3 GLY 127 2HA GLY 127 -32.387 -0.524 7.774 1015 HA PRO 128 HA PRO 128 -36.553 0.459 5.673 1016 HB2 PRO 128 1HB PRO 128 -37.327 3.079 5.757 1017 HB3 PRO 128 2HB PRO 128 -37.981 1.852 6.824 1018 HG2 PRO 128 1HG PRO 128 -36.022 3.982 7.429 1019 HG3 PRO 128 2HG PRO 128 -36.994 3.037 8.539 1020 HD2 PRO 128 1HD PRO 128 -34.203 2.688 7.979 1021 HD3 PRO 128 2HD PRO 128 -35.202 1.673 8.999 1022 H SER 129 H SER 129 -37.220 2.199 3.763 1023 HA SER 129 HA SER 129 -35.100 3.559 2.667 1024 HB2 SER 129 1HB SER 129 -34.469 2.030 0.784 1025 HB3 SER 129 2HB SER 129 -33.962 1.433 2.352 1026 HG SER 129 HG SER 129 -36.307 0.345 2.143 1027 H SER 130 H SER 130 -36.096 4.989 1.282 1028 HA SER 130 HA SER 130 -38.249 3.990 -0.351 1029 HB2 SER 130 1HB SER 130 -39.032 5.063 1.971 1030 HB3 SER 130 2HB SER 130 -38.754 6.572 1.125 1031 HG SER 130 HG SER 130 -40.369 6.127 -0.325 1032 H GLY 131 H GLY 131 -38.938 5.782 -1.989 1033 HA2 GLY 131 1HA GLY 131 -36.911 7.838 -2.411 1034 HA3 GLY 131 2HA GLY 131 -37.010 6.574 -3.621 Start of MODEL 12 1 H1 GLY 1 H GLY 1 16.409 -28.133 0.889 2 HA2 GLY 1 1HA GLY 1 14.785 -27.893 3.251 3 HA3 GLY 1 2HA GLY 1 16.327 -27.128 2.924 4 H SER 2 H SER 2 12.974 -26.621 3.248 5 HA SER 2 HA SER 2 13.292 -23.890 2.611 6 HB2 SER 2 1HB SER 2 11.953 -25.711 0.660 7 HB3 SER 2 2HB SER 2 11.078 -24.238 1.029 8 HG SER 2 HG SER 2 13.872 -24.260 0.275 9 H SER 3 H SER 3 12.506 -23.362 4.660 10 HA SER 3 HA SER 3 9.775 -23.361 5.038 11 HB2 SER 3 1HB SER 3 10.195 -25.838 5.425 12 HB3 SER 3 2HB SER 3 11.183 -25.407 6.807 13 HG SER 3 HG SER 3 9.375 -24.539 7.869 14 H GLY 4 H GLY 4 9.210 -22.106 6.944 15 HA2 GLY 4 1HA GLY 4 10.384 -21.481 9.179 16 HA3 GLY 4 2HA GLY 4 11.527 -20.717 8.093 17 H SER 5 H SER 5 9.593 -19.545 10.114 18 HA SER 5 HA SER 5 7.406 -18.435 8.977 19 HB2 SER 5 1HB SER 5 7.774 -16.542 10.650 20 HB3 SER 5 2HB SER 5 7.773 -18.160 11.325 21 HG SER 5 HG SER 5 9.547 -16.956 12.171 22 H SER 6 H SER 6 7.019 -16.152 8.193 23 HA SER 6 HA SER 6 9.094 -14.516 7.411 24 HB2 SER 6 1HB SER 6 8.862 -14.868 4.872 25 HB3 SER 6 2HB SER 6 9.806 -16.056 5.748 26 HG SER 6 HG SER 6 7.241 -16.908 5.801 27 H GLY 7 H GLY 7 8.209 -12.825 5.675 28 HA2 GLY 7 1HA GLY 7 5.441 -12.665 5.180 29 HA3 GLY 7 2HA GLY 7 5.805 -11.780 6.648 30 HA PRO 8 HA PRO 8 6.835 -9.212 2.951 31 HB2 PRO 8 1HB PRO 8 4.736 -7.463 2.959 32 HB3 PRO 8 2HB PRO 8 4.800 -8.878 1.928 33 HG2 PRO 8 1HG PRO 8 3.210 -8.444 4.382 34 HG3 PRO 8 2HG PRO 8 2.983 -9.644 3.125 35 HD2 PRO 8 1HD PRO 8 4.118 -10.075 5.723 36 HD3 PRO 8 2HD PRO 8 3.996 -11.246 4.425 37 H ASN 9 H ASN 9 6.431 -6.470 3.013 38 HA ASN 9 HA ASN 9 7.922 -5.949 5.449 39 HB2 ASN 9 1HB ASN 9 8.504 -5.279 2.832 40 HB3 ASN 9 2HB ASN 9 7.677 -3.823 3.349 41 HD21 ASN 9 1HD2 ASN 9 10.595 -5.123 2.988 42 HD22 ASN 9 2HD2 ASN 9 11.508 -4.342 4.236 43 H TYR 10 H TYR 10 4.962 -6.257 5.357 44 HA TYR 10 HA TYR 10 4.269 -3.695 6.503 45 HB2 TYR 10 1HB TYR 10 2.277 -3.528 4.974 46 HB3 TYR 10 2HB TYR 10 3.754 -3.526 4.031 47 HD1 TYR 10 2HD TYR 10 1.022 -5.772 5.233 48 HD2 TYR 10 1HD TYR 10 4.089 -5.116 2.324 49 HE1 TYR 10 2HE TYR 10 0.165 -7.743 3.876 50 HE2 TYR 10 1HE TYR 10 3.223 -7.090 0.976 51 HH TYR 10 HH TYR 10 1.213 -9.371 2.213 52 H ARG 11 H ARG 11 1.912 -3.822 7.390 53 HA ARG 11 HA ARG 11 1.616 -6.518 8.433 54 HB2 ARG 11 1HB ARG 11 0.377 -5.403 10.328 55 HB3 ARG 11 2HB ARG 11 2.037 -4.861 10.188 56 HG2 ARG 11 1HG ARG 11 1.402 -2.717 9.767 57 HG3 ARG 11 2HG ARG 11 0.279 -3.218 8.518 58 HD2 ARG 11 1HD ARG 11 -1.453 -2.781 9.917 59 HD3 ARG 11 2HD ARG 11 -0.886 -4.036 11.001 60 HE ARG 11 HE ARG 11 -0.408 -1.134 11.266 61 HH11 ARG 11 2HH2 ARG 11 0.448 -4.369 12.354 62 HH12 ARG 11 1HH2 ARG 11 1.128 -3.824 13.851 63 HH21 ARG 11 2HH1 ARG 11 0.489 -0.415 13.241 64 HH22 ARG 11 1HH1 ARG 11 1.151 -1.560 14.359 65 H TRP 12 H TRP 12 -0.546 -7.455 8.557 66 HA TRP 12 HA TRP 12 -2.725 -5.964 7.387 67 HB2 TRP 12 1HB TRP 12 -3.121 -7.296 5.529 68 HB3 TRP 12 2HB TRP 12 -1.401 -6.965 5.470 69 HD1 TRP 12 HD TRP 12 0.223 -9.080 5.548 70 HE1 TRP 12 1HE TRP 12 -0.048 -11.705 5.589 71 HE3 TRP 12 3HE TRP 12 -4.766 -9.075 6.533 72 HZ2 TRP 12 2HZ TRP 12 -2.269 -13.445 6.019 73 HZ3 TRP 12 3HZ TRP 12 -5.909 -11.280 6.748 74 HH2 TRP 12 HH TRP 12 -4.743 -13.414 6.508 75 H THR 13 H THR 13 -4.631 -6.608 8.372 76 HA THR 13 HA THR 13 -4.547 -9.158 9.841 77 HB THR 13 HB THR 13 -5.574 -8.037 11.743 78 HG1 THR 13 1HG THR 13 -6.008 -5.650 11.364 79 HG21 THR 13 1HG2 THR 13 -3.538 -6.030 10.655 80 HG22 THR 13 2HG2 THR 13 -3.952 -6.327 12.361 81 HG23 THR 13 3HG2 THR 13 -3.067 -7.561 11.432 82 H GLN 14 H GLN 14 -7.162 -9.134 10.805 83 HA GLN 14 HA GLN 14 -9.057 -8.406 8.959 84 HB2 GLN 14 1HB GLN 14 -9.567 -10.544 7.824 85 HB3 GLN 14 2HB GLN 14 -7.962 -9.976 7.406 86 HG2 GLN 14 1HG GLN 14 -6.960 -11.513 9.090 87 HG3 GLN 14 2HG GLN 14 -8.557 -12.056 9.565 88 HE21 GLN 14 1HE2 GLN 14 -6.499 -13.713 8.629 89 HE22 GLN 14 2HE2 GLN 14 -6.978 -14.445 7.134 90 H THR 15 H THR 15 -11.174 -9.877 9.305 91 HA THR 15 HA THR 15 -11.147 -10.994 12.013 92 HB THR 15 HB THR 15 -11.812 -8.470 11.913 93 HG1 THR 15 1HG THR 15 -13.790 -10.471 12.742 94 HG21 THR 15 1HG2 THR 15 -13.653 -9.515 9.967 95 HG22 THR 15 2HG2 THR 15 -14.597 -9.123 11.424 96 HG23 THR 15 3HG2 THR 15 -13.609 -7.868 10.640 97 H LEU 16 H LEU 16 -11.070 -12.362 9.501 98 HA LEU 16 HA LEU 16 -12.076 -14.048 8.494 99 HB2 LEU 16 1HB LEU 16 -13.596 -13.892 11.050 100 HB3 LEU 16 2HB LEU 16 -14.255 -14.892 9.770 101 HG LEU 16 HG LEU 16 -11.401 -15.378 10.205 102 HD11 LEU 16 1HD1 LEU 16 -11.377 -16.201 12.369 103 HD12 LEU 16 2HD1 LEU 16 -12.345 -14.716 12.533 104 HD13 LEU 16 3HD1 LEU 16 -13.151 -16.302 12.466 105 HD21 LEU 16 1HD2 LEU 16 -12.249 -17.740 10.346 106 HD22 LEU 16 2HD2 LEU 16 -13.892 -17.093 10.120 107 HD23 LEU 16 3HD2 LEU 16 -12.666 -16.871 8.849 108 H ALA 17 H ALA 17 -12.994 -11.020 8.359 109 HA ALA 17 HA ALA 17 -15.071 -11.592 6.412 110 HB1 ALA 17 1HB ALA 17 -15.593 -10.501 9.045 111 HB2 ALA 17 2HB ALA 17 -15.964 -9.286 7.798 112 HB3 ALA 17 3HB ALA 17 -16.741 -10.887 7.741 113 H GLU 18 H GLU 18 -13.639 -8.722 8.133 114 HA GLU 18 HA GLU 18 -13.142 -7.584 5.527 115 HB2 GLU 18 1HB GLU 18 -12.704 -6.310 8.260 116 HB3 GLU 18 2HB GLU 18 -12.781 -5.485 6.716 117 HG2 GLU 18 1HG GLU 18 -15.115 -5.803 6.502 118 HG3 GLU 18 2HG GLU 18 -15.132 -7.183 7.582 119 H LEU 19 H LEU 19 -10.979 -6.447 5.161 120 HA LEU 19 HA LEU 19 -8.827 -7.901 6.529 121 HB2 LEU 19 1HB LEU 19 -9.518 -7.803 3.680 122 HB3 LEU 19 2HB LEU 19 -7.845 -7.404 4.014 123 HG LEU 19 HG LEU 19 -8.947 -9.842 5.333 124 HD11 LEU 19 1HD1 LEU 19 -8.931 -11.220 3.460 125 HD12 LEU 19 2HD1 LEU 19 -9.756 -9.753 2.880 126 HD13 LEU 19 3HD1 LEU 19 -8.048 -10.035 2.467 127 HD21 LEU 19 1HD2 LEU 19 -6.295 -9.018 4.141 128 HD22 LEU 19 2HD2 LEU 19 -6.698 -9.332 5.846 129 HD23 LEU 19 3HD2 LEU 19 -6.643 -10.678 4.683 130 H ASP 20 H ASP 20 -7.178 -6.642 7.296 131 HA ASP 20 HA ASP 20 -7.360 -3.829 6.554 132 HB2 ASP 20 1HB ASP 20 -7.219 -5.187 9.118 133 HB3 ASP 20 2HB ASP 20 -5.791 -4.187 8.934 134 H LEU 21 H LEU 21 -5.281 -2.701 6.228 135 HA LEU 21 HA LEU 21 -2.874 -4.296 6.343 136 HB2 LEU 21 1HB LEU 21 -3.422 -5.002 4.223 137 HB3 LEU 21 2HB LEU 21 -4.205 -3.495 3.792 138 HG LEU 21 HG LEU 21 -1.943 -2.403 3.738 139 HD11 LEU 21 1HD1 LEU 21 -0.220 -3.452 4.664 140 HD12 LEU 21 2HD1 LEU 21 -1.148 -4.964 4.816 141 HD13 LEU 21 3HD1 LEU 21 -0.265 -4.609 3.312 142 HD21 LEU 21 1HD2 LEU 21 -1.506 -3.039 1.538 143 HD22 LEU 21 2HD2 LEU 21 -2.018 -4.721 1.816 144 HD23 LEU 21 3HD2 LEU 21 -3.231 -3.420 1.752 145 H ALA 22 H ALA 22 -0.976 -3.004 6.440 146 HA ALA 22 HA ALA 22 -1.359 -0.127 6.242 147 HB1 ALA 22 1HB ALA 22 -1.836 -1.075 8.642 148 HB2 ALA 22 2HB ALA 22 -0.067 -1.261 8.724 149 HB3 ALA 22 3HB ALA 22 -0.781 0.347 8.458 150 H VAL 23 H VAL 23 0.257 0.573 4.946 151 HA VAL 23 HA VAL 23 2.814 -0.866 5.141 152 HB VAL 23 HB VAL 23 1.565 0.460 2.726 153 HG11 VAL 23 1HG1 VAL 23 4.016 -1.317 2.802 154 HG12 VAL 23 2HG1 VAL 23 3.421 -0.308 1.462 155 HG13 VAL 23 3HG1 VAL 23 4.106 0.457 2.916 156 HG21 VAL 23 1HG2 VAL 23 0.498 -1.449 2.299 157 HG22 VAL 23 2HG2 VAL 23 2.028 -2.354 2.393 158 HG23 VAL 23 3HG2 VAL 23 1.056 -2.094 3.862 159 HA PRO 24 HA PRO 24 3.900 3.205 6.446 160 HB2 PRO 24 1HB PRO 24 6.185 2.503 7.771 161 HB3 PRO 24 2HB PRO 24 4.604 2.519 8.528 162 HG2 PRO 24 1HG PRO 24 6.209 0.201 7.639 163 HG3 PRO 24 2HG PRO 24 4.859 0.238 8.755 164 HD2 PRO 24 1HD PRO 24 4.806 -0.644 6.027 165 HD3 PRO 24 2HD PRO 24 3.434 -0.498 7.108 166 H PHE 25 H PHE 25 5.446 4.825 5.907 167 HA PHE 25 HA PHE 25 7.380 3.852 3.942 168 HB2 PHE 25 1HB PHE 25 5.357 6.161 3.742 169 HB3 PHE 25 2HB PHE 25 6.687 5.972 2.616 170 HD1 PHE 25 1HD PHE 25 6.481 2.866 2.555 171 HD2 PHE 25 2HD PHE 25 3.638 5.981 2.082 172 HE1 PHE 25 1HE PHE 25 5.064 1.357 1.135 173 HE2 PHE 25 2HE PHE 25 2.221 4.472 0.662 174 HZ PHE 25 HZ PHE 25 2.951 2.178 0.205 175 H ARG 26 H ARG 26 9.229 5.282 3.631 176 HA ARG 26 HA ARG 26 9.622 6.906 5.996 177 HB2 ARG 26 1HB ARG 26 11.352 5.226 4.268 178 HB3 ARG 26 2HB ARG 26 12.079 6.774 4.652 179 HG2 ARG 26 1HG ARG 26 10.781 5.272 6.915 180 HG3 ARG 26 2HG ARG 26 12.285 4.626 6.289 181 HD2 ARG 26 1HD ARG 26 13.516 6.288 7.252 182 HD3 ARG 26 2HD ARG 26 12.457 7.539 6.632 183 HE ARG 26 HE ARG 26 11.408 7.613 8.712 184 HH11 ARG 26 2HH2 ARG 26 12.979 4.484 8.361 185 HH12 ARG 26 1HH2 ARG 26 12.599 3.969 9.970 186 HH21 ARG 26 2HH1 ARG 26 10.905 6.934 10.836 187 HH22 ARG 26 1HH1 ARG 26 11.411 5.372 11.387 188 H VAL 27 H VAL 27 8.690 8.922 5.432 189 HA VAL 27 HA VAL 27 10.088 10.327 3.286 190 HB VAL 27 HB VAL 27 7.834 11.360 2.710 191 HG11 VAL 27 1HG1 VAL 27 8.245 10.131 0.893 192 HG12 VAL 27 2HG1 VAL 27 9.073 8.885 1.859 193 HG13 VAL 27 3HG1 VAL 27 7.308 8.812 1.635 194 HG21 VAL 27 1HG2 VAL 27 6.242 10.770 4.230 195 HG22 VAL 27 2HG2 VAL 27 6.014 9.420 3.092 196 HG23 VAL 27 3HG2 VAL 27 6.986 9.189 4.566 197 H SER 28 H SER 28 10.057 12.681 3.566 198 HA SER 28 HA SER 28 9.793 13.302 6.387 199 HB2 SER 28 1HB SER 28 11.637 14.077 4.243 200 HB3 SER 28 2HB SER 28 10.998 15.488 5.063 201 HG SER 28 HG SER 28 11.663 14.513 7.109 202 H PHE 29 H PHE 29 7.927 13.413 3.649 203 HA PHE 29 HA PHE 29 6.668 15.930 4.486 204 HB2 PHE 29 1HB PHE 29 5.887 15.831 1.968 205 HB3 PHE 29 2HB PHE 29 7.551 16.289 2.273 206 HD1 PHE 29 2HD PHE 29 5.468 13.285 1.545 207 HD2 PHE 29 1HD PHE 29 9.259 15.157 1.186 208 HE1 PHE 29 2HE PHE 29 6.254 11.411 0.071 209 HE2 PHE 29 1HE PHE 29 10.045 13.284 -0.288 210 HZ PHE 29 HZ PHE 29 8.533 11.433 -0.828 211 H ARG 30 H ARG 30 4.259 15.998 3.815 212 HA ARG 30 HA ARG 30 3.109 13.609 4.835 213 HB2 ARG 30 1HB ARG 30 2.304 16.411 4.410 214 HB3 ARG 30 2HB ARG 30 1.022 15.307 3.953 215 HG2 ARG 30 1HG ARG 30 0.693 14.562 6.116 216 HG3 ARG 30 2HG ARG 30 2.395 14.650 6.524 217 HD2 ARG 30 1HD ARG 30 1.919 17.309 6.250 218 HD3 ARG 30 2HD ARG 30 0.293 16.801 6.662 219 HE ARG 30 HE ARG 30 2.125 15.554 8.480 220 HH11 ARG 30 2HH2 ARG 30 0.805 18.726 7.721 221 HH12 ARG 30 1HH2 ARG 30 0.993 19.331 9.333 222 HH21 ARG 30 2HH1 ARG 30 2.373 16.351 10.607 223 HH22 ARG 30 1HH1 ARG 30 1.891 17.971 10.986 224 H LEU 31 H LEU 31 3.095 11.903 3.351 225 HA LEU 31 HA LEU 31 2.928 12.162 0.611 226 HB2 LEU 31 1HB LEU 31 2.466 9.982 2.586 227 HB3 LEU 31 2HB LEU 31 1.910 9.726 0.944 228 HG LEU 31 HG LEU 31 4.753 10.464 1.690 229 HD11 LEU 31 1HD1 LEU 31 4.389 8.312 2.603 230 HD12 LEU 31 2HD1 LEU 31 3.476 7.774 1.173 231 HD13 LEU 31 3HD1 LEU 31 5.229 8.060 1.054 232 HD21 LEU 31 1HD2 LEU 31 3.514 9.594 -0.934 233 HD22 LEU 31 2HD2 LEU 31 4.223 11.180 -0.547 234 HD23 LEU 31 3HD2 LEU 31 5.262 9.737 -0.629 235 H LYS 32 H LYS 32 1.308 12.503 -0.850 236 HA LYS 32 HA LYS 32 -1.348 12.913 0.304 237 HB2 LYS 32 1HB LYS 32 -0.029 13.960 -2.213 238 HB3 LYS 32 2HB LYS 32 -1.734 14.165 -1.865 239 HG2 LYS 32 1HG LYS 32 -1.355 15.740 -0.232 240 HG3 LYS 32 2HG LYS 32 0.051 14.904 0.396 241 HD2 LYS 32 1HD LYS 32 1.347 15.693 -1.654 242 HD3 LYS 32 2HD LYS 32 -0.048 16.652 -2.106 243 HE2 LYS 32 1HE LYS 32 0.259 18.182 -0.379 244 HE3 LYS 32 2HE LYS 32 0.933 16.988 0.712 245 HZ1 LYS 32 1HZ LYS 32 2.760 17.074 -1.227 246 HZ2 LYS 32 2HZ LYS 32 2.261 18.629 -1.210 247 HZ3 LYS 32 3HZ LYS 32 2.842 17.942 0.153 248 H GLY 33 H GLY 33 -3.213 12.345 -1.271 249 HA2 GLY 33 1HA GLY 33 -2.910 9.551 -1.935 250 HA3 GLY 33 2HA GLY 33 -4.370 10.519 -1.995 251 H LYS 34 H LYS 34 -1.811 12.198 -3.531 252 HA LYS 34 HA LYS 34 -2.845 11.341 -6.134 253 HB2 LYS 34 1HB LYS 34 -2.278 13.493 -6.957 254 HB3 LYS 34 2HB LYS 34 -3.109 13.739 -5.434 255 HG2 LYS 34 1HG LYS 34 -0.572 13.606 -4.482 256 HG3 LYS 34 2HG LYS 34 -0.206 14.153 -6.106 257 HD2 LYS 34 1HD LYS 34 -2.354 15.792 -5.385 258 HD3 LYS 34 2HD LYS 34 -1.485 15.617 -3.873 259 HE2 LYS 34 1HE LYS 34 0.508 16.571 -4.751 260 HE3 LYS 34 2HE LYS 34 0.047 16.255 -6.412 261 HZ1 LYS 34 1HZ LYS 34 -0.765 18.407 -4.679 262 HZ2 LYS 34 2HZ LYS 34 -0.511 18.407 -6.292 263 HZ3 LYS 34 3HZ LYS 34 -1.915 17.834 -5.688 264 H ASP 35 H ASP 35 -0.113 11.223 -3.989 265 HA ASP 35 HA ASP 35 1.605 10.557 -6.237 266 HB2 ASP 35 1HB ASP 35 2.006 11.774 -3.568 267 HB3 ASP 35 2HB ASP 35 3.169 10.510 -3.913 268 H VAL 36 H VAL 36 -0.612 8.932 -4.727 269 HA VAL 36 HA VAL 36 1.113 6.685 -3.942 270 HB VAL 36 HB VAL 36 -1.657 7.376 -2.944 271 HG11 VAL 36 1HG1 VAL 36 -1.464 5.045 -2.779 272 HG12 VAL 36 2HG1 VAL 36 0.263 5.121 -2.353 273 HG13 VAL 36 3HG1 VAL 36 -0.969 5.627 -1.171 274 HG21 VAL 36 1HG2 VAL 36 -0.766 8.375 -1.087 275 HG22 VAL 36 2HG2 VAL 36 0.738 7.425 -1.157 276 HG23 VAL 36 3HG2 VAL 36 0.498 8.795 -2.268 277 H VAL 37 H VAL 37 -0.169 4.507 -4.203 278 HA VAL 37 HA VAL 37 -1.967 4.607 -6.484 279 HB VAL 37 HB VAL 37 0.736 3.273 -6.456 280 HG11 VAL 37 1HG1 VAL 37 -1.651 2.662 -8.224 281 HG12 VAL 37 2HG1 VAL 37 0.022 2.207 -8.626 282 HG13 VAL 37 3HG1 VAL 37 -0.756 1.541 -7.170 283 HG21 VAL 37 1HG2 VAL 37 -0.637 5.177 -8.382 284 HG22 VAL 37 2HG2 VAL 37 0.740 5.536 -7.312 285 HG23 VAL 37 3HG2 VAL 37 0.940 4.402 -8.670 286 H VAL 38 H VAL 38 -3.708 3.701 -5.462 287 HA VAL 38 HA VAL 38 -3.188 1.151 -4.094 288 HB VAL 38 HB VAL 38 -4.928 3.488 -3.410 289 HG11 VAL 38 1HG1 VAL 38 -6.595 1.802 -3.489 290 HG12 VAL 38 2HG1 VAL 38 -5.517 0.591 -2.755 291 HG13 VAL 38 3HG1 VAL 38 -6.130 1.945 -1.777 292 HG21 VAL 38 1HG2 VAL 38 -4.109 2.930 -1.114 293 HG22 VAL 38 2HG2 VAL 38 -3.126 1.627 -1.826 294 HG23 VAL 38 3HG2 VAL 38 -2.810 3.323 -2.266 295 H ASP 39 H ASP 39 -3.607 -0.298 -5.739 296 HA ASP 39 HA ASP 39 -6.010 0.166 -7.282 297 HB2 ASP 39 1HB ASP 39 -3.466 -0.828 -7.920 298 HB3 ASP 39 2HB ASP 39 -4.444 -2.280 -7.849 299 H ILE 40 H ILE 40 -7.684 -0.505 -5.810 300 HA ILE 40 HA ILE 40 -7.408 -3.200 -4.701 301 HB ILE 40 HB ILE 40 -9.091 -0.819 -3.949 302 HG12 ILE 40 1HG1 ILE 40 -7.177 -2.434 -2.253 303 HG13 ILE 40 2HG1 ILE 40 -6.659 -1.058 -3.205 304 HG21 ILE 40 1HG2 ILE 40 -9.726 -3.630 -3.624 305 HG22 ILE 40 2HG2 ILE 40 -9.541 -2.817 -2.052 306 HG23 ILE 40 3HG2 ILE 40 -10.697 -2.186 -3.250 307 HD11 ILE 40 1HD1 ILE 40 -8.362 0.373 -2.040 308 HD12 ILE 40 2HD1 ILE 40 -8.805 -1.027 -1.033 309 HD13 ILE 40 3HD1 ILE 40 -7.172 -0.329 -0.917 310 H GLN 41 H GLN 41 -7.916 -4.494 -6.484 311 HA GLN 41 HA GLN 41 -10.382 -3.874 -7.852 312 HB2 GLN 41 1HB GLN 41 -7.978 -5.574 -8.409 313 HB3 GLN 41 2HB GLN 41 -9.496 -6.129 -9.085 314 HG2 GLN 41 1HG GLN 41 -8.416 -3.294 -9.442 315 HG3 GLN 41 2HG GLN 41 -8.175 -4.582 -10.606 316 HE21 GLN 41 1HE2 GLN 41 -9.788 -1.937 -10.328 317 HE22 GLN 41 2HE2 GLN 41 -11.337 -2.315 -11.003 318 H ARG 42 H ARG 42 -11.647 -6.097 -8.494 319 HA ARG 42 HA ARG 42 -12.916 -6.879 -6.234 320 HB2 ARG 42 1HB ARG 42 -13.777 -7.188 -8.565 321 HB3 ARG 42 2HB ARG 42 -12.597 -8.455 -8.839 322 HG2 ARG 42 1HG ARG 42 -14.102 -9.944 -8.029 323 HG3 ARG 42 2HG ARG 42 -13.891 -9.221 -6.446 324 HD2 ARG 42 1HD ARG 42 -16.038 -8.490 -6.512 325 HD3 ARG 42 2HD ARG 42 -15.635 -7.466 -7.876 326 HE ARG 42 HE ARG 42 -16.957 -10.095 -7.986 327 HH11 ARG 42 2HH2 ARG 42 -15.259 -7.600 -9.795 328 HH12 ARG 42 1HH2 ARG 42 -15.893 -8.100 -11.327 329 HH21 ARG 42 2HH1 ARG 42 -17.793 -10.756 -10.007 330 HH22 ARG 42 1HH1 ARG 42 -17.344 -9.908 -11.449 331 H ARG 43 H ARG 43 -10.508 -8.816 -8.171 332 HA ARG 43 HA ARG 43 -9.846 -10.152 -5.674 333 HB2 ARG 43 1HB ARG 43 -11.222 -11.493 -7.512 334 HB3 ARG 43 2HB ARG 43 -9.681 -11.597 -8.340 335 HG2 ARG 43 1HG ARG 43 -8.705 -12.928 -6.669 336 HG3 ARG 43 2HG ARG 43 -9.756 -12.312 -5.410 337 HD2 ARG 43 1HD ARG 43 -11.203 -14.035 -5.713 338 HD3 ARG 43 2HD ARG 43 -11.408 -13.612 -7.401 339 HE ARG 43 HE ARG 43 -9.572 -15.647 -6.309 340 HH11 ARG 43 2HH2 ARG 43 -10.473 -13.702 -9.100 341 HH12 ARG 43 1HH2 ARG 43 -9.696 -14.749 -10.241 342 HH21 ARG 43 2HH1 ARG 43 -8.546 -17.028 -7.814 343 HH22 ARG 43 1HH1 ARG 43 -8.593 -16.653 -9.504 344 H HIS 44 H HIS 44 -8.363 -7.996 -6.219 345 HA HIS 44 HA HIS 44 -5.805 -9.013 -6.657 346 HB2 HIS 44 1HB HIS 44 -7.063 -8.658 -9.061 347 HB3 HIS 44 2HB HIS 44 -6.292 -7.098 -8.855 348 HD1 HIS 44 1HD HIS 44 -3.570 -7.304 -8.223 349 HD2 HIS 44 2HD HIS 44 -5.411 -10.554 -10.132 350 HE1 HIS 44 1HE HIS 44 -1.688 -8.696 -9.240 351 H LEU 45 H LEU 45 -4.773 -7.851 -5.118 352 HA LEU 45 HA LEU 45 -5.619 -5.072 -4.756 353 HB2 LEU 45 1HB LEU 45 -5.863 -6.418 -2.798 354 HB3 LEU 45 2HB LEU 45 -4.233 -7.045 -2.944 355 HG LEU 45 HG LEU 45 -3.329 -4.782 -2.491 356 HD11 LEU 45 1HD1 LEU 45 -5.922 -3.926 -3.111 357 HD12 LEU 45 2HD1 LEU 45 -5.727 -3.614 -1.370 358 HD13 LEU 45 3HD1 LEU 45 -4.561 -2.936 -2.532 359 HD21 LEU 45 1HD2 LEU 45 -5.222 -5.431 -0.251 360 HD22 LEU 45 2HD2 LEU 45 -3.950 -6.585 -0.718 361 HD23 LEU 45 3HD2 LEU 45 -3.512 -4.942 -0.192 362 H ARG 46 H ARG 46 -3.864 -3.466 -4.264 363 HA ARG 46 HA ARG 46 -1.232 -4.095 -4.917 364 HB2 ARG 46 1HB ARG 46 -2.548 -4.046 -7.227 365 HB3 ARG 46 2HB ARG 46 -2.493 -2.307 -7.024 366 HG2 ARG 46 1HG ARG 46 0.105 -2.794 -6.523 367 HG3 ARG 46 2HG ARG 46 -0.218 -4.243 -7.453 368 HD2 ARG 46 1HD ARG 46 -1.400 -1.916 -8.776 369 HD3 ARG 46 2HD ARG 46 0.300 -1.632 -8.463 370 HE ARG 46 HE ARG 46 0.288 -4.202 -9.482 371 HH11 ARG 46 2HH2 ARG 46 -1.030 -1.142 -10.613 372 HH12 ARG 46 1HH2 ARG 46 -0.888 -1.554 -12.289 373 HH21 ARG 46 2HH1 ARG 46 0.476 -4.746 -11.693 374 HH22 ARG 46 1HH1 ARG 46 -0.025 -3.618 -12.908 375 H VAL 47 H VAL 47 -0.072 -2.605 -3.728 376 HA VAL 47 HA VAL 47 -1.141 0.116 -3.577 377 HB VAL 47 HB VAL 47 -0.312 -1.669 -1.288 378 HG11 VAL 47 1HG1 VAL 47 -0.844 0.472 0.082 379 HG12 VAL 47 2HG1 VAL 47 0.747 0.329 -0.704 380 HG13 VAL 47 3HG1 VAL 47 -0.523 1.335 -1.441 381 HG21 VAL 47 1HG2 VAL 47 -2.516 -2.026 -1.173 382 HG22 VAL 47 2HG2 VAL 47 -2.682 -0.325 -0.676 383 HG23 VAL 47 3HG2 VAL 47 -2.855 -0.772 -2.391 384 H GLY 48 H GLY 48 0.494 1.750 -3.214 385 HA2 GLY 48 1HA GLY 48 3.128 1.471 -2.691 386 HA3 GLY 48 2HA GLY 48 3.031 1.012 -4.379 387 H LEU 49 H LEU 49 4.476 3.302 -3.539 388 HA LEU 49 HA LEU 49 2.761 5.583 -3.996 389 HB2 LEU 49 1HB LEU 49 5.751 5.454 -3.598 390 HB3 LEU 49 2HB LEU 49 4.745 6.888 -3.547 391 HG LEU 49 HG LEU 49 5.315 6.268 -1.307 392 HD11 LEU 49 1HD1 LEU 49 3.221 6.355 -0.305 393 HD12 LEU 49 2HD1 LEU 49 2.915 7.000 -1.936 394 HD13 LEU 49 3HD1 LEU 49 2.469 5.322 -1.545 395 HD21 LEU 49 1HD2 LEU 49 3.970 3.590 -1.582 396 HD22 LEU 49 2HD2 LEU 49 5.692 3.802 -1.979 397 HD23 LEU 49 3HD2 LEU 49 5.106 4.164 -0.338 398 H LYS 50 H LYS 50 2.629 6.784 -5.872 399 HA LYS 50 HA LYS 50 2.956 5.636 -8.278 400 HB2 LYS 50 1HB LYS 50 2.123 8.084 -7.347 401 HB3 LYS 50 2HB LYS 50 3.526 8.527 -8.298 402 HG2 LYS 50 1HG LYS 50 2.617 7.670 -10.301 403 HG3 LYS 50 2HG LYS 50 1.546 6.562 -9.467 404 HD2 LYS 50 1HD LYS 50 0.707 9.082 -8.550 405 HD3 LYS 50 2HD LYS 50 1.098 9.376 -10.232 406 HE2 LYS 50 1HE LYS 50 -0.732 8.230 -10.958 407 HE3 LYS 50 2HE LYS 50 -0.366 6.852 -9.938 408 HZ1 LYS 50 1HZ LYS 50 -1.451 9.277 -8.739 409 HZ2 LYS 50 2HZ LYS 50 -2.453 8.226 -9.487 410 HZ3 LYS 50 3HZ LYS 50 -1.557 7.735 -8.213 411 H GLY 51 H GLY 51 4.584 5.100 -9.662 412 HA2 GLY 51 1HA GLY 51 6.646 5.214 -10.642 413 HA3 GLY 51 2HA GLY 51 7.147 6.438 -9.491 414 H GLN 52 H GLN 52 6.535 5.112 -7.023 415 HA GLN 52 HA GLN 52 8.823 3.487 -6.855 416 HB2 GLN 52 1HB GLN 52 6.751 4.556 -4.994 417 HB3 GLN 52 2HB GLN 52 7.529 3.076 -4.470 418 HG2 GLN 52 1HG GLN 52 9.337 5.213 -5.553 419 HG3 GLN 52 2HG GLN 52 8.575 5.551 -4.012 420 HE21 GLN 52 1HE2 GLN 52 8.706 3.856 -2.342 421 HE22 GLN 52 2HE2 GLN 52 10.164 2.932 -2.194 422 HA PRO 53 HA PRO 53 7.088 -0.477 -7.219 423 HB2 PRO 53 1HB PRO 53 8.330 -1.975 -5.301 424 HB3 PRO 53 2HB PRO 53 9.091 -1.540 -6.818 425 HG2 PRO 53 1HG PRO 53 9.571 -0.433 -4.119 426 HG3 PRO 53 2HG PRO 53 10.586 -0.330 -5.544 427 HD2 PRO 53 1HD PRO 53 8.917 1.742 -4.471 428 HD3 PRO 53 2HD PRO 53 9.841 1.805 -5.959 429 HA PRO 54 HA PRO 54 3.699 -0.814 -4.666 430 HB2 PRO 54 1HB PRO 54 2.439 -2.930 -5.850 431 HB3 PRO 54 2HB PRO 54 2.293 -1.282 -6.429 432 HG2 PRO 54 1HG PRO 54 3.854 -3.517 -7.572 433 HG3 PRO 54 2HG PRO 54 3.355 -2.021 -8.338 434 HD2 PRO 54 1HD PRO 54 5.975 -2.656 -7.357 435 HD3 PRO 54 2HD PRO 54 5.446 -1.121 -8.016 436 H VAL 55 H VAL 55 4.071 -1.306 -2.594 437 HA VAL 55 HA VAL 55 5.536 -3.533 -1.851 438 HB VAL 55 HB VAL 55 3.387 -2.199 -0.206 439 HG11 VAL 55 1HG1 VAL 55 4.608 -2.857 1.676 440 HG12 VAL 55 2HG1 VAL 55 4.730 -4.266 0.596 441 HG13 VAL 55 3HG1 VAL 55 6.096 -3.134 0.738 442 HG21 VAL 55 1HG2 VAL 55 5.942 -1.099 -1.269 443 HG22 VAL 55 2HG2 VAL 55 4.432 -0.271 -0.818 444 HG23 VAL 55 3HG2 VAL 55 5.580 -0.778 0.444 445 H VAL 56 H VAL 56 2.080 -3.123 -2.615 446 HA VAL 56 HA VAL 56 1.741 -5.992 -2.068 447 HB VAL 56 HB VAL 56 -0.326 -3.787 -1.950 448 HG11 VAL 56 1HG1 VAL 56 -1.547 -5.682 -2.499 449 HG12 VAL 56 2HG1 VAL 56 -0.451 -6.775 -1.620 450 HG13 VAL 56 3HG1 VAL 56 -1.577 -5.730 -0.720 451 HG21 VAL 56 1HG2 VAL 56 -0.042 -3.610 0.298 452 HG22 VAL 56 2HG2 VAL 56 0.418 -5.319 0.488 453 HG23 VAL 56 3HG2 VAL 56 1.610 -4.136 -0.103 454 H ASP 57 H ASP 57 0.720 -7.252 -3.668 455 HA ASP 57 HA ASP 57 -0.604 -6.229 -5.834 456 HB2 ASP 57 1HB ASP 57 1.428 -5.224 -6.649 457 HB3 ASP 57 2HB ASP 57 2.381 -6.638 -6.247 458 H GLY 58 H GLY 58 -1.888 -8.093 -5.917 459 HA2 GLY 58 1HA GLY 58 -1.022 -10.470 -7.035 460 HA3 GLY 58 2HA GLY 58 -0.895 -10.684 -5.300 461 H GLU 59 H GLU 59 -2.693 -12.241 -6.796 462 HA GLU 59 HA GLU 59 -5.243 -11.059 -6.848 463 HB2 GLU 59 1HB GLU 59 -4.662 -12.944 -8.311 464 HB3 GLU 59 2HB GLU 59 -4.357 -13.976 -6.927 465 HG2 GLU 59 1HG GLU 59 -6.832 -13.444 -6.242 466 HG3 GLU 59 2HG GLU 59 -7.020 -12.864 -7.885 467 H LEU 60 H LEU 60 -7.034 -11.344 -5.410 468 HA LEU 60 HA LEU 60 -6.221 -11.721 -2.680 469 HB2 LEU 60 1HB LEU 60 -8.832 -10.958 -3.988 470 HB3 LEU 60 2HB LEU 60 -8.633 -11.134 -2.255 471 HG LEU 60 HG LEU 60 -8.390 -8.797 -3.576 472 HD11 LEU 60 1HD1 LEU 60 -7.383 -7.893 -1.589 473 HD12 LEU 60 2HD1 LEU 60 -8.513 -9.187 -1.123 474 HD13 LEU 60 3HD1 LEU 60 -6.760 -9.493 -1.120 475 HD21 LEU 60 1HD2 LEU 60 -6.489 -9.281 -4.892 476 HD22 LEU 60 2HD2 LEU 60 -5.915 -8.239 -3.569 477 HD23 LEU 60 3HD2 LEU 60 -5.615 -9.992 -3.514 478 H TYR 61 H TYR 61 -6.712 -13.430 -1.325 479 HA TYR 61 HA TYR 61 -7.001 -15.938 -2.390 480 HB2 TYR 61 1HB TYR 61 -6.375 -14.988 -0.004 481 HB3 TYR 61 2HB TYR 61 -8.099 -14.944 0.304 482 HD1 TYR 61 1HD TYR 61 -9.415 -17.114 0.263 483 HD2 TYR 61 2HD TYR 61 -5.138 -17.013 0.193 484 HE1 TYR 61 1HE TYR 61 -9.338 -19.546 1.001 485 HE2 TYR 61 2HE TYR 61 -5.076 -19.445 0.932 486 HH TYR 61 HH TYR 61 -6.219 -21.180 1.500 487 H ASN 62 H ASN 62 -9.444 -13.474 -1.908 488 HA ASN 62 HA ASN 62 -11.361 -15.210 -3.082 489 HB2 ASN 62 1HB ASN 62 -11.446 -15.606 -0.496 490 HB3 ASN 62 2HB ASN 62 -12.093 -13.981 -0.384 491 HD21 ASN 62 1HD2 ASN 62 -12.580 -17.208 -1.663 492 HD22 ASN 62 2HD2 ASN 62 -14.290 -17.113 -1.919 493 H GLU 63 H GLU 63 -12.673 -13.891 -4.391 494 HA GLU 63 HA GLU 63 -12.188 -11.411 -5.010 495 HB2 GLU 63 1HB GLU 63 -14.940 -12.687 -4.741 496 HB3 GLU 63 2HB GLU 63 -14.682 -11.158 -5.556 497 HG2 GLU 63 1HG GLU 63 -13.193 -12.196 -7.195 498 HG3 GLU 63 2HG GLU 63 -13.178 -13.706 -6.304 499 H VAL 64 H VAL 64 -11.920 -9.523 -3.908 500 HA VAL 64 HA VAL 64 -13.456 -9.200 -1.434 501 HB VAL 64 HB VAL 64 -11.707 -7.386 -1.046 502 HG11 VAL 64 1HG1 VAL 64 -10.608 -10.205 -1.234 503 HG12 VAL 64 2HG1 VAL 64 -10.172 -8.929 -0.071 504 HG13 VAL 64 3HG1 VAL 64 -11.780 -9.690 0.004 505 HG21 VAL 64 1HG2 VAL 64 -10.285 -8.874 -3.280 506 HG22 VAL 64 2HG2 VAL 64 -10.928 -7.218 -3.385 507 HG23 VAL 64 3HG2 VAL 64 -9.599 -7.587 -2.260 508 H LYS 65 H LYS 65 -15.004 -7.636 -1.267 509 HA LYS 65 HA LYS 65 -15.896 -6.358 -3.592 510 HB2 LYS 65 1HB LYS 65 -17.206 -7.031 -1.501 511 HB3 LYS 65 2HB LYS 65 -16.585 -5.574 -0.753 512 HG2 LYS 65 1HG LYS 65 -18.086 -4.281 -1.860 513 HG3 LYS 65 2HG LYS 65 -17.584 -4.930 -3.408 514 HD2 LYS 65 1HD LYS 65 -19.091 -6.855 -3.160 515 HD3 LYS 65 2HD LYS 65 -19.491 -6.386 -1.519 516 HE2 LYS 65 1HE LYS 65 -20.970 -4.760 -2.200 517 HE3 LYS 65 2HE LYS 65 -19.946 -4.235 -3.521 518 HZ1 LYS 65 1HZ LYS 65 -20.841 -5.760 -4.909 519 HZ2 LYS 65 2HZ LYS 65 -21.196 -6.841 -3.738 520 HZ3 LYS 65 3HZ LYS 65 -22.140 -5.525 -3.948 521 H VAL 66 H VAL 66 -14.715 -4.866 -4.677 522 HA VAL 66 HA VAL 66 -12.779 -3.262 -3.416 523 HB VAL 66 HB VAL 66 -12.368 -2.418 -5.526 524 HG11 VAL 66 1HG1 VAL 66 -12.299 -4.280 -6.984 525 HG12 VAL 66 2HG1 VAL 66 -12.269 -4.967 -5.342 526 HG13 VAL 66 3HG1 VAL 66 -13.778 -4.986 -6.288 527 HG21 VAL 66 1HG2 VAL 66 -15.251 -2.997 -6.287 528 HG22 VAL 66 2HG2 VAL 66 -14.557 -1.399 -5.925 529 HG23 VAL 66 3HG2 VAL 66 -14.011 -2.302 -7.358 530 H GLU 67 H GLU 67 -16.260 -2.954 -3.968 531 HA GLU 67 HA GLU 67 -16.384 -0.182 -3.723 532 HB2 GLU 67 1HB GLU 67 -18.220 -2.418 -3.946 533 HB3 GLU 67 2HB GLU 67 -18.799 -1.324 -2.706 534 HG2 GLU 67 1HG GLU 67 -17.806 0.084 -5.116 535 HG3 GLU 67 2HG GLU 67 -19.146 -0.993 -5.458 536 H GLU 68 H GLU 68 -16.446 -2.879 -1.349 537 HA GLU 68 HA GLU 68 -16.935 -1.039 0.793 538 HB2 GLU 68 1HB GLU 68 -16.362 -4.035 0.778 539 HB3 GLU 68 2HB GLU 68 -16.759 -3.115 2.216 540 HG2 GLU 68 1HG GLU 68 -18.766 -2.414 0.340 541 HG3 GLU 68 2HG GLU 68 -18.540 -4.139 0.125 542 H SER 69 H SER 69 -14.282 -1.766 -1.085 543 HA SER 69 HA SER 69 -12.369 -2.041 0.999 544 HB2 SER 69 1HB SER 69 -12.147 -1.564 -2.000 545 HB3 SER 69 2HB SER 69 -10.738 -1.667 -0.963 546 HG SER 69 HG SER 69 -12.764 -3.731 -1.130 547 H SER 70 H SER 70 -10.833 -0.435 1.698 548 HA SER 70 HA SER 70 -11.165 2.212 0.623 549 HB2 SER 70 1HB SER 70 -12.622 1.518 2.886 550 HB3 SER 70 2HB SER 70 -11.179 2.222 3.586 551 HG SER 70 HG SER 70 -13.197 3.431 1.988 552 H TRP 71 H TRP 71 -9.469 3.748 1.736 553 HA TRP 71 HA TRP 71 -7.292 2.470 3.062 554 HB2 TRP 71 1HB TRP 71 -5.619 2.658 1.390 555 HB3 TRP 71 2HB TRP 71 -6.927 1.685 0.747 556 HD1 TRP 71 HD TRP 71 -8.542 2.966 -1.148 557 HE1 TRP 71 1HE TRP 71 -8.041 4.843 -2.934 558 HE3 TRP 71 3HE TRP 71 -4.271 4.644 1.042 559 HZ2 TRP 71 2HZ TRP 71 -5.960 6.775 -3.224 560 HZ3 TRP 71 3HZ TRP 71 -3.065 6.529 -0.057 561 HH2 TRP 71 HH TRP 71 -3.845 7.588 -2.117 562 H LEU 72 H LEU 72 -5.564 4.154 3.534 563 HA LEU 72 HA LEU 72 -6.119 6.862 2.889 564 HB2 LEU 72 1HB LEU 72 -7.156 7.662 4.700 565 HB3 LEU 72 2HB LEU 72 -7.795 6.032 4.780 566 HG LEU 72 HG LEU 72 -5.535 5.733 6.265 567 HD11 LEU 72 1HD1 LEU 72 -4.662 7.640 6.977 568 HD12 LEU 72 2HD1 LEU 72 -5.836 8.552 5.997 569 HD13 LEU 72 3HD1 LEU 72 -6.229 8.111 7.677 570 HD21 LEU 72 1HD2 LEU 72 -7.346 4.872 7.303 571 HD22 LEU 72 2HD2 LEU 72 -7.269 6.396 8.219 572 HD23 LEU 72 3HD2 LEU 72 -8.397 6.235 6.851 573 H ILE 73 H ILE 73 -4.450 8.315 3.810 574 HA ILE 73 HA ILE 73 -2.018 6.774 4.287 575 HB ILE 73 HB ILE 73 -2.403 9.665 3.503 576 HG12 ILE 73 1HG1 ILE 73 -1.538 7.336 1.769 577 HG13 ILE 73 2HG1 ILE 73 -3.172 7.966 1.814 578 HG21 ILE 73 1HG2 ILE 73 -0.326 9.415 4.676 579 HG22 ILE 73 2HG2 ILE 73 0.085 7.956 3.744 580 HG23 ILE 73 3HG2 ILE 73 0.023 9.540 2.935 581 HD11 ILE 73 1HD1 ILE 73 -2.019 10.300 1.357 582 HD12 ILE 73 2HD1 ILE 73 -0.654 9.302 0.803 583 HD13 ILE 73 3HD1 ILE 73 -2.242 9.154 0.013 584 H GLU 74 H GLU 74 -1.469 6.434 6.368 585 HA GLU 74 HA GLU 74 -2.491 8.271 8.334 586 HB2 GLU 74 1HB GLU 74 -1.242 5.524 8.397 587 HB3 GLU 74 2HB GLU 74 -1.217 6.490 9.859 588 HG2 GLU 74 1HG GLU 74 -3.864 6.632 8.649 589 HG3 GLU 74 2HG GLU 74 -3.392 4.953 8.822 590 H ASP 75 H ASP 75 -1.141 9.415 9.864 591 HA ASP 75 HA ASP 75 0.520 10.725 10.356 592 HB2 ASP 75 1HB ASP 75 1.757 8.059 9.892 593 HB3 ASP 75 2HB ASP 75 2.899 9.387 9.828 594 H GLY 76 H GLY 76 -0.422 10.513 7.433 595 HA2 GLY 76 1HA GLY 76 0.117 11.295 5.394 596 HA3 GLY 76 2HA GLY 76 1.140 12.434 6.247 597 H LYS 77 H LYS 77 1.583 8.872 6.330 598 HA LYS 77 HA LYS 77 3.656 8.969 4.343 599 HB2 LYS 77 1HB LYS 77 5.412 8.136 5.931 600 HB3 LYS 77 2HB LYS 77 4.981 9.824 6.119 601 HG2 LYS 77 1HG LYS 77 3.208 8.810 7.877 602 HG3 LYS 77 2HG LYS 77 4.362 7.492 7.928 603 HD2 LYS 77 1HD LYS 77 6.110 9.554 8.152 604 HD3 LYS 77 2HD LYS 77 4.695 10.347 8.815 605 HE2 LYS 77 1HE LYS 77 5.038 9.283 10.787 606 HE3 LYS 77 2HE LYS 77 4.758 7.745 9.995 607 HZ1 LYS 77 1HZ LYS 77 7.189 8.063 9.249 608 HZ2 LYS 77 2HZ LYS 77 7.283 9.083 10.521 609 HZ3 LYS 77 3HZ LYS 77 6.873 7.520 10.756 610 H VAL 78 H VAL 78 2.099 7.171 7.070 611 HA VAL 78 HA VAL 78 2.643 4.648 5.846 612 HB VAL 78 HB VAL 78 0.840 5.466 8.133 613 HG11 VAL 78 1HG1 VAL 78 0.822 3.114 8.771 614 HG12 VAL 78 2HG1 VAL 78 0.178 3.306 7.122 615 HG13 VAL 78 3HG1 VAL 78 1.834 2.700 7.366 616 HG21 VAL 78 1HG2 VAL 78 3.165 6.003 8.588 617 HG22 VAL 78 2HG2 VAL 78 2.676 4.592 9.557 618 HG23 VAL 78 3HG2 VAL 78 3.671 4.368 8.098 619 H VAL 79 H VAL 79 1.126 3.220 4.848 620 HA VAL 79 HA VAL 79 -1.295 4.596 3.905 621 HB VAL 79 HB VAL 79 0.754 2.938 2.478 622 HG11 VAL 79 1HG1 VAL 79 -1.178 1.689 1.930 623 HG12 VAL 79 2HG1 VAL 79 -2.184 3.150 1.787 624 HG13 VAL 79 3HG1 VAL 79 -0.937 2.806 0.564 625 HG21 VAL 79 1HG2 VAL 79 -0.635 5.580 2.023 626 HG22 VAL 79 2HG2 VAL 79 1.106 5.236 2.161 627 HG23 VAL 79 3HG2 VAL 79 0.212 4.734 0.706 628 H THR 80 H THR 80 -3.104 3.689 4.722 629 HA THR 80 HA THR 80 -2.943 0.854 5.496 630 HB THR 80 HB THR 80 -5.011 1.638 6.910 631 HG1 THR 80 1HG THR 80 -5.448 3.746 6.395 632 HG21 THR 80 1HG2 THR 80 -3.618 2.554 8.685 633 HG22 THR 80 2HG2 THR 80 -2.635 1.326 7.851 634 HG23 THR 80 3HG2 THR 80 -2.369 3.055 7.520 635 H VAL 81 H VAL 81 -4.417 -0.642 4.766 636 HA VAL 81 HA VAL 81 -6.382 0.384 2.843 637 HB VAL 81 HB VAL 81 -4.584 -2.027 2.519 638 HG11 VAL 81 1HG1 VAL 81 -6.559 -2.664 1.463 639 HG12 VAL 81 2HG1 VAL 81 -6.945 -1.003 0.953 640 HG13 VAL 81 3HG1 VAL 81 -5.644 -1.904 0.139 641 HG21 VAL 81 1HG2 VAL 81 -4.486 0.016 0.433 642 HG22 VAL 81 2HG2 VAL 81 -3.993 0.645 2.023 643 HG23 VAL 81 3HG2 VAL 81 -3.164 -0.769 1.329 644 H HIS 82 H HIS 82 -8.408 -0.594 2.926 645 HA HIS 82 HA HIS 82 -8.649 -2.760 4.881 646 HB2 HIS 82 1HB HIS 82 -9.510 -1.010 6.110 647 HB3 HIS 82 2HB HIS 82 -10.124 -0.165 4.704 648 HD1 HIS 82 1HD HIS 82 -11.013 -2.866 7.168 649 HD2 HIS 82 2HD HIS 82 -12.706 -0.957 3.839 650 HE1 HIS 82 1HE HIS 82 -13.476 -3.533 7.137 651 H LEU 83 H LEU 83 -8.997 -4.523 3.591 652 HA LEU 83 HA LEU 83 -10.726 -4.181 1.273 653 HB2 LEU 83 1HB LEU 83 -9.154 -6.617 2.102 654 HB3 LEU 83 2HB LEU 83 -9.890 -6.295 0.545 655 HG LEU 83 HG LEU 83 -7.685 -5.858 0.092 656 HD11 LEU 83 1HD1 LEU 83 -7.406 -3.529 -0.259 657 HD12 LEU 83 2HD1 LEU 83 -9.152 -3.856 -0.371 658 HD13 LEU 83 3HD1 LEU 83 -8.478 -3.120 1.102 659 HD21 LEU 83 1HD2 LEU 83 -7.168 -4.337 2.635 660 HD22 LEU 83 2HD2 LEU 83 -7.115 -6.116 2.606 661 HD23 LEU 83 3HD2 LEU 83 -6.023 -5.176 1.561 662 H GLU 84 H GLU 84 -12.217 -6.232 0.884 663 HA GLU 84 HA GLU 84 -13.280 -7.243 3.345 664 HB2 GLU 84 1HB GLU 84 -14.390 -4.889 2.352 665 HB3 GLU 84 2HB GLU 84 -15.449 -6.114 1.682 666 HG2 GLU 84 1HG GLU 84 -15.072 -6.978 4.325 667 HG3 GLU 84 2HG GLU 84 -15.139 -5.234 4.485 668 H LYS 85 H LYS 85 -13.782 -9.369 3.011 669 HA LYS 85 HA LYS 85 -13.577 -10.471 0.430 670 HB2 LYS 85 1HB LYS 85 -14.694 -11.729 2.952 671 HB3 LYS 85 2HB LYS 85 -14.124 -12.574 1.527 672 HG2 LYS 85 1HG LYS 85 -11.872 -12.113 1.970 673 HG3 LYS 85 2HG LYS 85 -12.229 -10.628 2.830 674 HD2 LYS 85 1HD LYS 85 -13.244 -12.038 4.698 675 HD3 LYS 85 2HD LYS 85 -12.682 -13.468 3.856 676 HE2 LYS 85 1HE LYS 85 -10.408 -12.983 4.249 677 HE3 LYS 85 2HE LYS 85 -10.694 -11.263 4.424 678 HZ1 LYS 85 1HZ LYS 85 -11.697 -11.645 6.521 679 HZ2 LYS 85 2HZ LYS 85 -11.658 -13.268 6.341 680 HZ3 LYS 85 3HZ LYS 85 -10.266 -12.433 6.519 681 H ILE 86 H ILE 86 -15.308 -11.791 -0.656 682 HA ILE 86 HA ILE 86 -17.734 -10.201 -0.700 683 HB ILE 86 HB ILE 86 -16.549 -12.286 -2.520 684 HG12 ILE 86 1HG1 ILE 86 -15.888 -9.712 -2.366 685 HG13 ILE 86 2HG1 ILE 86 -15.942 -10.580 -3.887 686 HG21 ILE 86 1HG2 ILE 86 -18.773 -12.829 -2.785 687 HG22 ILE 86 2HG2 ILE 86 -19.335 -11.174 -2.444 688 HG23 ILE 86 3HG2 ILE 86 -18.569 -11.550 -4.007 689 HD11 ILE 86 1HD1 ILE 86 -17.896 -9.534 -4.590 690 HD12 ILE 86 2HD1 ILE 86 -18.498 -9.311 -2.930 691 HD13 ILE 86 3HD1 ILE 86 -17.220 -8.246 -3.564 692 H ASN 87 H ASN 87 -16.483 -13.155 0.636 693 HA ASN 87 HA ASN 87 -19.188 -14.168 0.934 694 HB2 ASN 87 1HB ASN 87 -16.583 -15.398 0.552 695 HB3 ASN 87 2HB ASN 87 -17.227 -15.945 2.087 696 HD21 ASN 87 1HD2 ASN 87 -19.442 -16.763 2.122 697 HD22 ASN 87 2HD2 ASN 87 -20.048 -17.653 0.765 698 H LYS 88 H LYS 88 -16.068 -13.697 2.768 699 HA LYS 88 HA LYS 88 -15.641 -13.152 4.863 700 HB2 LYS 88 1HB LYS 88 -18.452 -12.046 4.720 701 HB3 LYS 88 2HB LYS 88 -17.455 -11.894 6.152 702 HG2 LYS 88 1HG LYS 88 -15.633 -10.890 4.615 703 HG3 LYS 88 2HG LYS 88 -16.860 -10.810 3.366 704 HD2 LYS 88 1HD LYS 88 -17.111 -9.511 6.121 705 HD3 LYS 88 2HD LYS 88 -16.624 -8.664 4.666 706 HE2 LYS 88 1HE LYS 88 -18.792 -8.377 4.061 707 HE3 LYS 88 2HE LYS 88 -19.059 -10.109 4.079 708 HZ1 LYS 88 1HZ LYS 88 -19.291 -8.271 6.354 709 HZ2 LYS 88 2HZ LYS 88 -20.483 -9.141 5.655 710 HZ3 LYS 88 3HZ LYS 88 -19.320 -9.895 6.518 711 H MET 89 H MET 89 -15.483 -15.582 4.997 712 HA MET 89 HA MET 89 -16.972 -16.401 7.269 713 HB2 MET 89 1HB MET 89 -17.795 -18.539 6.074 714 HB3 MET 89 2HB MET 89 -18.637 -17.068 5.630 715 HG2 MET 89 1HG MET 89 -18.171 -17.696 3.476 716 HG3 MET 89 2HG MET 89 -16.577 -17.040 3.794 717 HE1 MET 89 1HE MET 89 -18.448 -19.823 2.483 718 HE2 MET 89 2HE MET 89 -17.021 -19.276 1.571 719 HE3 MET 89 3HE MET 89 -17.112 -20.953 2.160 720 H GLU 90 H GLU 90 -14.795 -17.284 4.532 721 HA GLU 90 HA GLU 90 -13.579 -19.356 6.055 722 HB2 GLU 90 1HB GLU 90 -12.077 -19.578 4.101 723 HB3 GLU 90 2HB GLU 90 -13.757 -19.525 3.604 724 HG2 GLU 90 1HG GLU 90 -12.944 -16.812 3.649 725 HG3 GLU 90 2HG GLU 90 -11.577 -17.669 2.965 726 H TRP 91 H TRP 91 -11.110 -19.365 6.391 727 HA TRP 91 HA TRP 91 -10.341 -16.714 7.389 728 HB2 TRP 91 1HB TRP 91 -10.224 -17.945 9.266 729 HB3 TRP 91 2HB TRP 91 -10.047 -19.463 8.409 730 HD1 TRP 91 HD TRP 91 -7.556 -20.379 8.096 731 HE1 TRP 91 1HE TRP 91 -5.144 -19.669 8.899 732 HE3 TRP 91 3HE TRP 91 -8.888 -15.751 9.728 733 HZ2 TRP 91 2HZ TRP 91 -4.088 -17.305 10.099 734 HZ3 TRP 91 3HZ TRP 91 -7.106 -14.305 10.702 735 HH2 TRP 91 HH TRP 91 -4.776 -15.015 10.901 736 H TRP 92 H TRP 92 -8.825 -15.658 6.184 737 HA TRP 92 HA TRP 92 -7.563 -16.967 4.005 738 HB2 TRP 92 1HB TRP 92 -7.310 -14.223 5.227 739 HB3 TRP 92 2HB TRP 92 -6.325 -14.743 3.875 740 HD1 TRP 92 HD TRP 92 -10.008 -15.839 3.964 741 HE1 TRP 92 1HE TRP 92 -11.406 -14.677 2.051 742 HE3 TRP 92 3HE TRP 92 -6.338 -12.635 2.508 743 HZ2 TRP 92 2HZ TRP 92 -10.832 -12.596 0.185 744 HZ3 TRP 92 3HZ TRP 92 -6.839 -11.071 0.633 745 HH2 TRP 92 HH TRP 92 -8.995 -11.017 -0.517 746 H ASN 93 H ASN 93 -5.208 -17.244 3.741 747 HA ASN 93 HA ASN 93 -3.967 -17.743 6.329 748 HB2 ASN 93 1HB ASN 93 -4.150 -19.293 3.841 749 HB3 ASN 93 2HB ASN 93 -2.471 -19.041 4.275 750 HD21 ASN 93 1HD2 ASN 93 -3.197 -21.527 4.316 751 HD22 ASN 93 2HD2 ASN 93 -3.453 -22.161 5.908 752 H ARG 94 H ARG 94 -4.018 -15.752 3.534 753 HA ARG 94 HA ARG 94 -1.517 -14.599 4.304 754 HB2 ARG 94 1HB ARG 94 -1.514 -14.752 1.393 755 HB3 ARG 94 2HB ARG 94 -0.273 -15.271 2.516 756 HG2 ARG 94 1HG ARG 94 -0.835 -17.314 1.533 757 HG3 ARG 94 2HG ARG 94 -1.889 -17.335 2.933 758 HD2 ARG 94 1HD ARG 94 -2.703 -17.613 0.265 759 HD3 ARG 94 2HD ARG 94 -3.757 -17.310 1.631 760 HE ARG 94 HE ARG 94 -2.605 -15.180 -0.138 761 HH11 ARG 94 2HH2 ARG 94 -5.033 -16.274 2.162 762 HH12 ARG 94 1HH2 ARG 94 -6.009 -14.852 2.003 763 HH21 ARG 94 2HH1 ARG 94 -3.892 -13.304 -0.348 764 HH22 ARG 94 1HH1 ARG 94 -5.356 -13.151 0.565 765 H LEU 95 H LEU 95 -1.130 -12.602 2.570 766 HA LEU 95 HA LEU 95 -3.578 -11.101 2.743 767 HB2 LEU 95 1HB LEU 95 -1.363 -10.201 3.386 768 HB3 LEU 95 2HB LEU 95 -0.848 -10.314 1.715 769 HG LEU 95 HG LEU 95 -1.733 -8.053 2.751 770 HD11 LEU 95 1HD1 LEU 95 -1.051 -8.780 0.308 771 HD12 LEU 95 2HD1 LEU 95 -2.798 -8.611 0.013 772 HD13 LEU 95 3HD1 LEU 95 -1.860 -7.226 0.620 773 HD21 LEU 95 1HD2 LEU 95 -4.330 -9.086 1.620 774 HD22 LEU 95 2HD2 LEU 95 -3.940 -9.216 3.352 775 HD23 LEU 95 3HD2 LEU 95 -4.024 -7.616 2.576 776 H VAL 96 H VAL 96 -1.249 -12.008 0.101 777 HA VAL 96 HA VAL 96 -3.558 -11.955 -1.711 778 HB VAL 96 HB VAL 96 -1.713 -11.233 -3.415 779 HG11 VAL 96 1HG1 VAL 96 -3.703 -9.891 -1.944 780 HG12 VAL 96 2HG1 VAL 96 -2.277 -8.827 -1.906 781 HG13 VAL 96 3HG1 VAL 96 -2.941 -9.370 -3.466 782 HG21 VAL 96 1HG2 VAL 96 -0.111 -9.601 -2.313 783 HG22 VAL 96 2HG2 VAL 96 -0.529 -10.370 -0.763 784 HG23 VAL 96 3HG2 VAL 96 0.237 -11.327 -2.053 785 H THR 97 H THR 97 -3.846 -13.829 -2.824 786 HA THR 97 HA THR 97 -2.643 -16.154 -2.261 787 HB THR 97 HB THR 97 -3.576 -16.928 -4.392 788 HG1 THR 97 1HG THR 97 -3.568 -14.046 -4.958 789 HG21 THR 97 1HG2 THR 97 -5.742 -16.358 -3.908 790 HG22 THR 97 2HG2 THR 97 -5.078 -15.333 -2.613 791 HG23 THR 97 3HG2 THR 97 -5.419 -14.634 -4.215 792 H SER 98 H SER 98 -1.352 -13.635 -4.445 793 HA SER 98 HA SER 98 1.085 -15.233 -4.513 794 HB2 SER 98 1HB SER 98 1.515 -14.316 -6.805 795 HB3 SER 98 2HB SER 98 0.097 -15.343 -6.734 796 HG SER 98 HG SER 98 -0.497 -12.662 -6.219 797 H ASP 99 H ASP 99 2.743 -14.165 -3.500 798 HA ASP 99 HA ASP 99 2.492 -11.700 -2.416 799 HB2 ASP 99 1HB ASP 99 5.143 -11.756 -2.590 800 HB3 ASP 99 2HB ASP 99 4.297 -12.898 -1.565 801 HA PRO 100 HA PRO 100 3.406 -8.920 -5.683 802 HB2 PRO 100 1HB PRO 100 4.688 -6.860 -4.426 803 HB3 PRO 100 2HB PRO 100 2.949 -7.071 -4.389 804 HG2 PRO 100 1HG PRO 100 4.927 -7.604 -2.258 805 HG3 PRO 100 2HG PRO 100 3.193 -7.400 -2.119 806 HD2 PRO 100 1HD PRO 100 4.642 -9.873 -2.026 807 HD3 PRO 100 2HD PRO 100 2.901 -9.677 -2.003 808 H GLU 101 H GLU 101 6.316 -8.456 -3.743 809 HA GLU 101 HA GLU 101 7.772 -9.420 -6.077 810 HB2 GLU 101 1HB GLU 101 8.276 -6.937 -4.403 811 HB3 GLU 101 2HB GLU 101 9.567 -7.680 -5.327 812 HG2 GLU 101 1HG GLU 101 7.435 -7.562 -7.159 813 HG3 GLU 101 2HG GLU 101 7.289 -6.061 -6.267 814 H ILE 102 H ILE 102 8.681 -8.247 -2.760 815 HA ILE 102 HA ILE 102 10.307 -10.615 -2.439 816 HB ILE 102 HB ILE 102 9.900 -8.253 -0.602 817 HG12 ILE 102 1HG1 ILE 102 12.195 -8.673 -2.527 818 HG13 ILE 102 2HG1 ILE 102 10.769 -7.749 -2.954 819 HG21 ILE 102 1HG2 ILE 102 10.780 -10.055 0.658 820 HG22 ILE 102 2HG2 ILE 102 11.907 -10.514 -0.641 821 HG23 ILE 102 3HG2 ILE 102 12.157 -8.999 0.260 822 HD11 ILE 102 1HD1 ILE 102 11.953 -7.036 -0.316 823 HD12 ILE 102 2HD1 ILE 102 12.978 -6.681 -1.727 824 HD13 ILE 102 3HD1 ILE 102 11.346 -5.980 -1.614 825 H ASN 103 H ASN 103 10.188 -11.849 -0.321 826 HA ASN 103 HA ASN 103 7.533 -11.830 0.806 827 HB2 ASN 103 1HB ASN 103 7.838 -13.564 -1.196 828 HB3 ASN 103 2HB ASN 103 8.744 -14.495 -0.020 829 HD21 ASN 103 1HD2 ASN 103 7.738 -15.522 1.625 830 HD22 ASN 103 2HD2 ASN 103 6.021 -15.622 1.828 831 H THR 104 H THR 104 10.740 -13.555 0.624 832 HA THR 104 HA THR 104 10.719 -13.741 3.560 833 HB THR 104 HB THR 104 12.386 -15.583 3.138 834 HG1 THR 104 1HG THR 104 13.285 -15.273 1.128 835 HG21 THR 104 1HG2 THR 104 10.513 -16.593 1.194 836 HG22 THR 104 2HG2 THR 104 10.602 -16.992 2.926 837 HG23 THR 104 3HG2 THR 104 9.592 -15.634 2.376 838 H LYS 105 H LYS 105 11.833 -12.243 4.628 839 HA LYS 105 HA LYS 105 14.195 -11.154 3.261 840 HB2 LYS 105 1HB LYS 105 12.662 -9.382 3.365 841 HB3 LYS 105 2HB LYS 105 12.091 -9.828 4.960 842 HG2 LYS 105 1HG LYS 105 14.453 -9.315 5.834 843 HG3 LYS 105 2HG LYS 105 14.815 -8.649 4.254 844 HD2 LYS 105 1HD LYS 105 14.100 -6.714 5.325 845 HD3 LYS 105 2HD LYS 105 12.570 -7.257 4.666 846 HE2 LYS 105 1HE LYS 105 12.293 -8.564 6.925 847 HE3 LYS 105 2HE LYS 105 13.587 -7.542 7.518 848 HZ1 LYS 105 1HZ LYS 105 12.288 -5.713 7.395 849 HZ2 LYS 105 2HZ LYS 105 11.381 -6.255 6.149 850 HZ3 LYS 105 3HZ LYS 105 11.111 -6.814 7.660 851 H LYS 106 H LYS 106 16.097 -10.822 4.527 852 HA LYS 106 HA LYS 106 17.590 -11.370 6.056 853 HB2 LYS 106 1HB LYS 106 16.203 -9.960 7.506 854 HB3 LYS 106 2HB LYS 106 15.217 -11.340 7.945 855 HG2 LYS 106 1HG LYS 106 16.866 -12.282 9.291 856 HG3 LYS 106 2HG LYS 106 18.180 -11.648 8.319 857 HD2 LYS 106 1HD LYS 106 18.404 -10.213 10.112 858 HD3 LYS 106 2HD LYS 106 17.207 -9.291 9.223 859 HE2 LYS 106 1HE LYS 106 15.497 -9.804 10.703 860 HE3 LYS 106 2HE LYS 106 16.114 -11.410 11.036 861 HZ1 LYS 106 1HZ LYS 106 16.702 -10.411 12.935 862 HZ2 LYS 106 2HZ LYS 106 18.023 -9.951 12.092 863 HZ3 LYS 106 3HZ LYS 106 16.781 -8.910 12.297 864 H ILE 107 H ILE 107 18.602 -13.204 7.057 865 HA ILE 107 HA ILE 107 17.386 -15.674 6.193 866 HB ILE 107 HB ILE 107 20.069 -15.059 7.436 867 HG12 ILE 107 1HG1 ILE 107 20.091 -14.024 5.343 868 HG13 ILE 107 2HG1 ILE 107 20.832 -15.584 5.049 869 HG21 ILE 107 1HG2 ILE 107 20.042 -17.505 5.965 870 HG22 ILE 107 2HG2 ILE 107 20.391 -17.236 7.690 871 HG23 ILE 107 3HG2 ILE 107 18.721 -17.547 7.157 872 HD11 ILE 107 1HD1 ILE 107 18.359 -16.357 4.489 873 HD12 ILE 107 2HD1 ILE 107 18.079 -14.613 4.265 874 HD13 ILE 107 3HD1 ILE 107 19.300 -15.453 3.279 875 H ASN 108 H ASN 108 19.250 -15.116 9.225 876 HA ASN 108 HA ASN 108 17.232 -16.666 10.575 877 HB2 ASN 108 1HB ASN 108 20.108 -16.067 10.945 878 HB3 ASN 108 2HB ASN 108 19.216 -15.950 12.449 879 HD21 ASN 108 1HD2 ASN 108 19.808 -17.741 13.475 880 HD22 ASN 108 2HD2 ASN 108 19.569 -19.363 12.918 881 HA PRO 109 HA PRO 109 15.681 -13.116 12.630 882 HB2 PRO 109 1HB PRO 109 14.636 -14.192 14.915 883 HB3 PRO 109 2HB PRO 109 13.815 -14.245 13.368 884 HG2 PRO 109 1HG PRO 109 15.227 -16.417 14.792 885 HG3 PRO 109 2HG PRO 109 14.060 -16.535 13.490 886 HD2 PRO 109 1HD PRO 109 16.904 -16.843 13.280 887 HD3 PRO 109 2HD PRO 109 15.749 -16.846 11.962 888 H GLU 110 H GLU 110 17.462 -15.205 14.848 889 HA GLU 110 HA GLU 110 18.832 -12.789 15.694 890 HB2 GLU 110 1HB GLU 110 17.592 -14.878 17.533 891 HB3 GLU 110 2HB GLU 110 18.774 -13.705 18.078 892 HG2 GLU 110 1HG GLU 110 17.275 -11.962 18.021 893 HG3 GLU 110 2HG GLU 110 16.525 -12.516 16.538 894 H ASN 111 H ASN 111 20.699 -13.378 14.508 895 HA ASN 111 HA ASN 111 21.950 -15.823 15.488 896 HB2 ASN 111 1HB ASN 111 21.420 -16.194 13.149 897 HB3 ASN 111 2HB ASN 111 21.946 -14.585 12.697 898 HD21 ASN 111 1HD2 ASN 111 23.884 -14.366 11.883 899 HD22 ASN 111 2HD2 ASN 111 25.213 -15.467 12.028 900 H SER 112 H SER 112 23.376 -14.886 17.021 901 HA SER 112 HA SER 112 25.332 -13.078 15.893 902 HB2 SER 112 1HB SER 112 25.224 -11.568 17.834 903 HB3 SER 112 2HB SER 112 23.675 -11.622 17.017 904 HG SER 112 HG SER 112 24.350 -13.192 19.358 905 H LYS 113 H LYS 113 27.211 -12.788 17.639 906 HA LYS 113 HA LYS 113 27.477 -14.735 19.639 907 HB2 LYS 113 1HB LYS 113 28.158 -15.602 16.928 908 HB3 LYS 113 2HB LYS 113 29.513 -15.734 18.030 909 HG2 LYS 113 1HG LYS 113 28.516 -17.389 19.279 910 HG3 LYS 113 2HG LYS 113 26.930 -16.651 19.184 911 HD2 LYS 113 1HD LYS 113 26.319 -17.970 17.435 912 HD3 LYS 113 2HD LYS 113 27.777 -17.584 16.542 913 HE2 LYS 113 1HE LYS 113 27.757 -19.576 18.853 914 HE3 LYS 113 2HE LYS 113 27.456 -20.059 17.195 915 HZ1 LYS 113 1HZ LYS 113 29.588 -19.319 16.577 916 HZ2 LYS 113 2HZ LYS 113 29.857 -18.580 18.008 917 HZ3 LYS 113 3HZ LYS 113 29.795 -20.210 17.929 918 H LEU 114 H LEU 114 30.034 -14.889 20.185 919 HA LEU 114 HA LEU 114 30.992 -12.126 19.916 920 HB2 LEU 114 1HB LEU 114 31.328 -14.123 22.156 921 HB3 LEU 114 2HB LEU 114 32.199 -12.605 22.056 922 HG LEU 114 HG LEU 114 29.278 -12.310 21.817 923 HD11 LEU 114 1HD1 LEU 114 29.901 -14.262 23.558 924 HD12 LEU 114 2HD1 LEU 114 30.111 -12.844 24.614 925 HD13 LEU 114 3HD1 LEU 114 28.554 -13.123 23.797 926 HD21 LEU 114 1HD2 LEU 114 30.679 -10.373 22.014 927 HD22 LEU 114 2HD2 LEU 114 29.716 -10.526 23.503 928 HD23 LEU 114 3HD2 LEU 114 31.431 -11.003 23.499 929 H SER 115 H SER 115 32.148 -12.417 17.971 930 HA SER 115 HA SER 115 34.342 -14.322 18.226 931 HB2 SER 115 1HB SER 115 34.383 -14.178 15.655 932 HB3 SER 115 2HB SER 115 33.042 -15.047 16.375 933 HG SER 115 HG SER 115 31.634 -13.427 15.857 934 H ASP 116 H ASP 116 35.565 -12.639 19.406 935 HA ASP 116 HA ASP 116 36.573 -10.638 17.543 936 HB2 ASP 116 1HB ASP 116 35.417 -10.326 20.247 937 HB3 ASP 116 2HB ASP 116 37.004 -9.596 20.115 938 H LEU 117 H LEU 117 38.444 -11.977 17.076 939 HA LEU 117 HA LEU 117 40.137 -12.551 19.406 940 HB2 LEU 117 1HB LEU 117 40.884 -14.466 18.411 941 HB3 LEU 117 2HB LEU 117 39.197 -14.442 17.935 942 HG LEU 117 HG LEU 117 40.225 -13.195 15.792 943 HD11 LEU 117 1HD1 LEU 117 42.547 -14.041 17.176 944 HD12 LEU 117 2HD1 LEU 117 42.381 -15.081 15.741 945 HD13 LEU 117 3HD1 LEU 117 42.425 -13.311 15.558 946 HD21 LEU 117 1HD2 LEU 117 40.054 -15.266 14.607 947 HD22 LEU 117 2HD2 LEU 117 40.315 -16.206 16.096 948 HD23 LEU 117 3HD2 LEU 117 38.820 -15.261 15.890 949 H ASP 118 H ASP 118 42.477 -12.229 19.119 950 HA ASP 118 HA ASP 118 43.524 -11.006 16.886 951 HB2 ASP 118 1HB ASP 118 41.923 -9.176 18.044 952 HB3 ASP 118 2HB ASP 118 43.309 -8.958 19.093 953 H SER 119 H SER 119 45.804 -10.007 17.505 954 HA SER 119 HA SER 119 46.693 -11.206 20.010 955 HB2 SER 119 1HB SER 119 48.381 -11.114 17.480 956 HB3 SER 119 2HB SER 119 48.717 -11.996 18.956 957 HG SER 119 HG SER 119 47.843 -13.594 17.766 958 H GLU 120 H GLU 120 49.509 -10.204 18.983 959 HA GLU 120 HA GLU 120 49.008 -7.389 19.564 960 HB2 GLU 120 1HB GLU 120 50.994 -7.313 20.951 961 HB3 GLU 120 2HB GLU 120 49.992 -8.634 21.518 962 HG2 GLU 120 1HG GLU 120 51.516 -9.966 19.668 963 HG3 GLU 120 2HG GLU 120 52.650 -8.718 20.146 964 H THR 121 H THR 121 52.072 -7.045 19.374 965 HA THR 121 HA THR 121 52.374 -7.471 16.483 966 HB THR 121 HB THR 121 53.347 -5.100 16.444 967 HG1 THR 121 1HG THR 121 51.919 -5.106 19.007 968 HG21 THR 121 1HG2 THR 121 51.044 -3.944 16.925 969 HG22 THR 121 2HG2 THR 121 51.098 -5.149 15.616 970 HG23 THR 121 3HG2 THR 121 50.438 -5.593 17.209 971 H ARG 122 H ARG 122 54.790 -6.797 15.886 972 HA ARG 122 HA ARG 122 56.443 -7.934 17.995 973 HB2 ARG 122 1HB ARG 122 55.850 -9.136 15.512 974 HB3 ARG 122 2HB ARG 122 57.437 -8.436 15.259 975 HG2 ARG 122 1HG ARG 122 57.210 -9.784 17.879 976 HG3 ARG 122 2HG ARG 122 56.894 -10.871 16.541 977 HD2 ARG 122 1HD ARG 122 59.076 -9.814 15.482 978 HD3 ARG 122 2HD ARG 122 59.412 -9.273 17.115 979 HE ARG 122 HE ARG 122 58.757 -11.991 17.369 980 HH11 ARG 122 2HH2 ARG 122 61.189 -10.112 15.655 981 HH12 ARG 122 1HH2 ARG 122 62.374 -11.374 15.692 982 HH21 ARG 122 2HH1 ARG 122 60.321 -13.656 17.419 983 HH22 ARG 122 1HH1 ARG 122 61.878 -13.403 16.702 984 H SER 123 H SER 123 58.811 -7.306 17.793 985 HA SER 123 HA SER 123 59.709 -5.465 15.980 986 HB2 SER 123 1HB SER 123 58.072 -4.279 18.110 987 HB3 SER 123 2HB SER 123 59.698 -3.627 18.117 988 HG SER 123 HG SER 123 57.987 -3.771 15.781 989 H MET 124 H MET 124 61.830 -4.361 16.849 990 HA MET 124 HA MET 124 62.973 -6.198 18.808 991 HB2 MET 124 1HB MET 124 63.797 -6.056 16.294 992 HB3 MET 124 2HB MET 124 64.541 -4.544 16.775 993 HG2 MET 124 1HG MET 124 65.108 -6.720 18.692 994 HG3 MET 124 2HG MET 124 65.661 -7.104 17.074 995 HE1 MET 124 1HE MET 124 67.925 -5.890 15.983 996 HE2 MET 124 2HE MET 124 69.017 -5.776 17.384 997 HE3 MET 124 3HE MET 124 67.906 -7.158 17.232 998 H VAL 125 H VAL 125 65.074 -5.134 19.875 999 HA VAL 125 HA VAL 125 64.829 -2.292 20.253 1000 HB VAL 125 HB VAL 125 63.133 -3.003 21.774 1001 HG11 VAL 125 1HG1 VAL 125 64.410 -5.393 21.923 1002 HG12 VAL 125 2HG1 VAL 125 64.881 -4.680 23.485 1003 HG13 VAL 125 3HG1 VAL 125 63.159 -4.860 23.071 1004 HG21 VAL 125 1HG2 VAL 125 64.291 -2.431 24.023 1005 HG22 VAL 125 2HG2 VAL 125 65.756 -2.210 23.037 1006 HG23 VAL 125 3HG2 VAL 125 64.311 -1.219 22.720 1007 H SER 126 H SER 126 66.903 -1.634 20.074 1008 HA SER 126 HA SER 126 68.944 -3.521 20.885 1009 HB2 SER 126 1HB SER 126 70.466 -2.236 19.522 1010 HB3 SER 126 2HB SER 126 68.997 -2.458 18.593 1011 HG SER 126 HG SER 126 68.935 -0.333 18.415 1012 H GLY 127 H GLY 127 70.828 -2.722 22.176 1013 HA2 GLY 127 1HA GLY 127 70.005 -0.554 24.014 1014 HA3 GLY 127 2HA GLY 127 70.924 -1.972 24.479 1015 HA PRO 128 HA PRO 128 73.621 1.342 22.387 1016 HB2 PRO 128 1HB PRO 128 73.283 3.778 23.577 1017 HB3 PRO 128 2HB PRO 128 72.548 3.350 22.045 1018 HG2 PRO 128 1HG PRO 128 71.287 3.562 24.711 1019 HG3 PRO 128 2HG PRO 128 70.525 3.559 23.133 1020 HD2 PRO 128 1HD PRO 128 70.621 1.381 24.998 1021 HD3 PRO 128 2HD PRO 128 69.961 1.343 23.375 1022 H SER 129 H SER 129 75.496 2.780 23.346 1023 HA SER 129 HA SER 129 76.050 1.523 25.920 1024 HB2 SER 129 1HB SER 129 77.460 1.202 23.509 1025 HB3 SER 129 2HB SER 129 78.427 2.359 24.401 1026 HG SER 129 HG SER 129 77.996 0.680 26.270 1027 H SER 130 H SER 130 77.988 2.848 27.055 1028 HA SER 130 HA SER 130 77.523 5.677 26.562 1029 HB2 SER 130 1HB SER 130 76.481 4.296 28.759 1030 HB3 SER 130 2HB SER 130 77.949 5.001 29.406 1031 HG SER 130 HG SER 130 76.858 6.964 27.987 1032 H GLY 131 H GLY 131 79.265 6.998 27.966 1033 HA2 GLY 131 1HA GLY 131 81.748 6.622 27.003 1034 HA3 GLY 131 2HA GLY 131 81.419 7.361 28.558 Start of MODEL 13 1 H1 GLY 1 H GLY 1 15.815 -10.164 0.773 2 HA2 GLY 1 1HA GLY 1 18.123 -11.706 1.609 3 HA3 GLY 1 2HA GLY 1 16.430 -12.094 1.839 4 H SER 2 H SER 2 16.652 -14.267 1.087 5 HA SER 2 HA SER 2 16.864 -14.388 -1.803 6 HB2 SER 2 1HB SER 2 18.410 -16.060 0.203 7 HB3 SER 2 2HB SER 2 18.065 -16.681 -1.399 8 HG SER 2 HG SER 2 18.996 -14.207 -1.799 9 H SER 3 H SER 3 16.257 -16.378 1.190 10 HA SER 3 HA SER 3 13.590 -16.787 0.569 11 HB2 SER 3 1HB SER 3 14.827 -18.235 -1.226 12 HB3 SER 3 2HB SER 3 15.204 -19.315 0.101 13 HG SER 3 HG SER 3 12.498 -18.511 -0.067 14 H GLY 4 H GLY 4 12.564 -18.339 2.166 15 HA2 GLY 4 1HA GLY 4 13.763 -19.825 4.079 16 HA3 GLY 4 2HA GLY 4 13.964 -18.194 4.687 17 H SER 5 H SER 5 12.496 -18.130 6.382 18 HA SER 5 HA SER 5 9.725 -18.512 5.574 19 HB2 SER 5 1HB SER 5 9.188 -19.746 7.512 20 HB3 SER 5 2HB SER 5 10.730 -20.421 7.021 21 HG SER 5 HG SER 5 10.956 -20.031 9.205 22 H SER 6 H SER 6 8.632 -16.601 5.831 23 HA SER 6 HA SER 6 8.641 -15.185 8.186 24 HB2 SER 6 1HB SER 6 10.940 -14.588 6.623 25 HB3 SER 6 2HB SER 6 9.859 -13.228 6.400 26 HG SER 6 HG SER 6 11.093 -12.788 8.240 27 H GLY 7 H GLY 7 7.653 -12.792 7.682 28 HA2 GLY 7 1HA GLY 7 5.455 -13.296 5.826 29 HA3 GLY 7 2HA GLY 7 5.552 -12.051 7.056 30 HA PRO 8 HA PRO 8 6.554 -10.144 3.028 31 HB2 PRO 8 1HB PRO 8 4.483 -8.366 2.889 32 HB3 PRO 8 2HB PRO 8 4.454 -9.935 2.108 33 HG2 PRO 8 1HG PRO 8 3.054 -9.060 4.560 34 HG3 PRO 8 2HG PRO 8 2.720 -10.445 3.541 35 HD2 PRO 8 1HD PRO 8 4.037 -10.467 6.089 36 HD3 PRO 8 2HD PRO 8 3.806 -11.834 5.017 37 H ASN 9 H ASN 9 6.199 -7.423 2.653 38 HA ASN 9 HA ASN 9 7.891 -6.544 4.840 39 HB2 ASN 9 1HB ASN 9 7.911 -6.143 1.979 40 HB3 ASN 9 2HB ASN 9 7.640 -4.577 2.717 41 HD21 ASN 9 1HD2 ASN 9 9.026 -4.249 4.786 42 HD22 ASN 9 2HD2 ASN 9 10.716 -4.592 4.625 43 H TYR 10 H TYR 10 4.766 -6.786 4.601 44 HA TYR 10 HA TYR 10 4.233 -4.095 5.602 45 HB2 TYR 10 1HB TYR 10 2.172 -4.077 4.154 46 HB3 TYR 10 2HB TYR 10 3.605 -4.223 3.157 47 HD1 TYR 10 2HD TYR 10 0.824 -6.178 4.677 48 HD2 TYR 10 1HD TYR 10 3.910 -6.085 1.716 49 HE1 TYR 10 2HE TYR 10 -0.123 -8.284 3.614 50 HE2 TYR 10 1HE TYR 10 2.953 -8.192 0.663 51 HH TYR 10 HH TYR 10 1.058 -9.444 0.552 52 H ARG 11 H ARG 11 1.986 -4.024 6.671 53 HA ARG 11 HA ARG 11 1.610 -6.596 7.976 54 HB2 ARG 11 1HB ARG 11 0.778 -5.342 9.922 55 HB3 ARG 11 2HB ARG 11 2.338 -4.697 9.453 56 HG2 ARG 11 1HG ARG 11 1.055 -2.940 8.064 57 HG3 ARG 11 2HG ARG 11 -0.403 -3.501 8.858 58 HD2 ARG 11 1HD ARG 11 0.067 -2.218 10.669 59 HD3 ARG 11 2HD ARG 11 1.574 -3.080 10.911 60 HE ARG 11 HE ARG 11 2.151 -1.332 8.828 61 HH11 ARG 11 2HH2 ARG 11 0.875 -0.949 12.085 62 HH12 ARG 11 1HH2 ARG 11 1.527 0.642 12.291 63 HH21 ARG 11 2HH1 ARG 11 3.011 0.768 9.099 64 HH22 ARG 11 1HH1 ARG 11 2.750 1.625 10.581 65 H TRP 12 H TRP 12 -0.649 -7.229 8.512 66 HA TRP 12 HA TRP 12 -2.811 -5.704 7.454 67 HB2 TRP 12 1HB TRP 12 -3.527 -7.161 5.713 68 HB3 TRP 12 2HB TRP 12 -1.894 -6.629 5.365 69 HD1 TRP 12 HD TRP 12 0.099 -8.561 5.808 70 HE1 TRP 12 1HE TRP 12 0.094 -11.190 5.582 71 HE3 TRP 12 3HE TRP 12 -4.955 -9.091 5.986 72 HZ2 TRP 12 2HZ TRP 12 -1.977 -13.153 5.505 73 HZ3 TRP 12 3HZ TRP 12 -5.887 -11.398 5.829 74 HH2 TRP 12 HH TRP 12 -4.486 -13.387 5.596 75 H THR 13 H THR 13 -4.897 -6.793 8.006 76 HA THR 13 HA THR 13 -4.688 -9.169 9.654 77 HB THR 13 HB THR 13 -5.704 -8.010 11.618 78 HG1 THR 13 1HG THR 13 -6.647 -6.107 10.990 79 HG21 THR 13 1HG2 THR 13 -3.150 -7.995 11.381 80 HG22 THR 13 2HG2 THR 13 -3.304 -6.387 10.633 81 HG23 THR 13 3HG2 THR 13 -3.811 -6.636 12.321 82 H GLN 14 H GLN 14 -7.194 -9.209 10.773 83 HA GLN 14 HA GLN 14 -9.220 -8.323 9.144 84 HB2 GLN 14 1HB GLN 14 -9.842 -10.318 7.863 85 HB3 GLN 14 2HB GLN 14 -8.223 -9.814 7.421 86 HG2 GLN 14 1HG GLN 14 -8.352 -11.747 9.692 87 HG3 GLN 14 2HG GLN 14 -8.907 -12.383 8.155 88 HE21 GLN 14 1HE2 GLN 14 -7.351 -13.555 7.329 89 HE22 GLN 14 2HE2 GLN 14 -5.686 -13.112 7.154 90 H THR 15 H THR 15 -11.339 -9.140 9.866 91 HA THR 15 HA THR 15 -11.130 -10.746 12.328 92 HB THR 15 HB THR 15 -11.535 -8.174 12.546 93 HG1 THR 15 1HG THR 15 -12.042 -9.756 14.210 94 HG21 THR 15 1HG2 THR 15 -13.652 -8.794 10.731 95 HG22 THR 15 2HG2 THR 15 -14.421 -8.570 12.321 96 HG23 THR 15 3HG2 THR 15 -13.421 -7.271 11.624 97 H LEU 16 H LEU 16 -11.443 -11.958 9.822 98 HA LEU 16 HA LEU 16 -12.732 -13.410 8.775 99 HB2 LEU 16 1HB LEU 16 -14.480 -13.280 11.236 100 HB3 LEU 16 2HB LEU 16 -14.510 -14.531 10.009 101 HG LEU 16 HG LEU 16 -11.908 -14.032 11.383 102 HD11 LEU 16 1HD1 LEU 16 -13.681 -13.958 13.174 103 HD12 LEU 16 2HD1 LEU 16 -14.085 -15.636 12.739 104 HD13 LEU 16 3HD1 LEU 16 -12.461 -15.241 13.351 105 HD21 LEU 16 1HD2 LEU 16 -11.723 -15.716 9.816 106 HD22 LEU 16 2HD2 LEU 16 -12.043 -16.637 11.305 107 HD23 LEU 16 3HD2 LEU 16 -13.355 -16.348 10.137 108 H ALA 17 H ALA 17 -13.248 -10.338 8.815 109 HA ALA 17 HA ALA 17 -15.616 -10.533 7.152 110 HB1 ALA 17 1HB ALA 17 -16.460 -8.397 8.398 111 HB2 ALA 17 2HB ALA 17 -16.756 -9.992 9.131 112 HB3 ALA 17 3HB ALA 17 -15.429 -8.969 9.732 113 H GLU 18 H GLU 18 -13.789 -7.828 8.738 114 HA GLU 18 HA GLU 18 -13.333 -6.774 6.092 115 HB2 GLU 18 1HB GLU 18 -12.666 -4.710 7.261 116 HB3 GLU 18 2HB GLU 18 -14.224 -5.268 7.839 117 HG2 GLU 18 1HG GLU 18 -13.310 -5.051 9.922 118 HG3 GLU 18 2HG GLU 18 -12.536 -6.585 9.579 119 H LEU 19 H LEU 19 -11.118 -5.879 5.543 120 HA LEU 19 HA LEU 19 -9.024 -7.499 6.818 121 HB2 LEU 19 1HB LEU 19 -9.875 -7.341 4.025 122 HB3 LEU 19 2HB LEU 19 -8.162 -7.038 4.237 123 HG LEU 19 HG LEU 19 -9.241 -9.400 5.676 124 HD11 LEU 19 1HD1 LEU 19 -10.499 -9.595 3.615 125 HD12 LEU 19 2HD1 LEU 19 -9.022 -9.348 2.654 126 HD13 LEU 19 3HD1 LEU 19 -9.200 -10.811 3.652 127 HD21 LEU 19 1HD2 LEU 19 -6.717 -8.560 4.320 128 HD22 LEU 19 2HD2 LEU 19 -6.974 -9.296 5.920 129 HD23 LEU 19 3HD2 LEU 19 -7.070 -10.299 4.453 130 H ASP 20 H ASP 20 -7.300 -6.373 7.587 131 HA ASP 20 HA ASP 20 -7.300 -3.541 6.937 132 HB2 ASP 20 1HB ASP 20 -7.155 -4.915 9.385 133 HB3 ASP 20 2HB ASP 20 -5.492 -4.448 9.091 134 H LEU 21 H LEU 21 -5.268 -2.538 6.279 135 HA LEU 21 HA LEU 21 -2.926 -4.207 6.070 136 HB2 LEU 21 1HB LEU 21 -3.833 -4.944 4.073 137 HB3 LEU 21 2HB LEU 21 -4.561 -3.395 3.699 138 HG LEU 21 HG LEU 21 -2.346 -2.448 3.209 139 HD11 LEU 21 1HD1 LEU 21 -1.434 -4.908 4.481 140 HD12 LEU 21 2HD1 LEU 21 -0.650 -4.620 2.909 141 HD13 LEU 21 3HD1 LEU 21 -0.572 -3.379 4.182 142 HD21 LEU 21 1HD2 LEU 21 -1.855 -4.327 1.302 143 HD22 LEU 21 2HD2 LEU 21 -3.537 -4.710 1.739 144 HD23 LEU 21 3HD2 LEU 21 -3.111 -3.071 1.192 145 H ALA 22 H ALA 22 -1.023 -2.983 6.025 146 HA ALA 22 HA ALA 22 -1.303 -0.110 5.672 147 HB1 ALA 22 1HB ALA 22 -0.488 0.460 7.810 148 HB2 ALA 22 2HB ALA 22 -1.673 -0.826 8.142 149 HB3 ALA 22 3HB ALA 22 0.068 -1.197 8.143 150 H VAL 23 H VAL 23 0.380 0.640 4.470 151 HA VAL 23 HA VAL 23 2.830 -0.979 4.490 152 HB VAL 23 HB VAL 23 1.658 0.385 2.066 153 HG11 VAL 23 1HG1 VAL 23 3.704 -1.844 2.183 154 HG12 VAL 23 2HG1 VAL 23 3.293 -0.786 0.812 155 HG13 VAL 23 3HG1 VAL 23 4.155 -0.122 2.221 156 HG21 VAL 23 1HG2 VAL 23 1.069 -2.286 3.245 157 HG22 VAL 23 2HG2 VAL 23 0.056 -1.224 2.237 158 HG23 VAL 23 3HG2 VAL 23 1.325 -2.220 1.484 159 HA PRO 24 HA PRO 24 4.161 3.080 5.588 160 HB2 PRO 24 1HB PRO 24 6.479 2.320 6.819 161 HB3 PRO 24 2HB PRO 24 4.944 2.435 7.655 162 HG2 PRO 24 1HG PRO 24 6.396 0.017 6.770 163 HG3 PRO 24 2HG PRO 24 5.110 0.154 7.953 164 HD2 PRO 24 1HD PRO 24 4.873 -0.818 5.265 165 HD3 PRO 24 2HD PRO 24 3.569 -0.572 6.409 166 H PHE 25 H PHE 25 5.685 4.619 4.863 167 HA PHE 25 HA PHE 25 7.495 3.490 2.860 168 HB2 PHE 25 1HB PHE 25 5.532 5.850 2.668 169 HB3 PHE 25 2HB PHE 25 6.807 5.597 1.493 170 HD1 PHE 25 1HD PHE 25 6.744 2.722 1.032 171 HD2 PHE 25 2HD PHE 25 3.527 5.432 1.596 172 HE1 PHE 25 1HE PHE 25 5.235 1.203 -0.278 173 HE2 PHE 25 2HE PHE 25 2.018 3.914 0.285 174 HZ PHE 25 HZ PHE 25 2.890 1.818 -0.636 175 H ARG 26 H ARG 26 9.371 4.840 2.387 176 HA ARG 26 HA ARG 26 10.111 6.321 4.716 177 HB2 ARG 26 1HB ARG 26 11.468 4.805 2.689 178 HB3 ARG 26 2HB ARG 26 12.092 6.440 2.585 179 HG2 ARG 26 1HG ARG 26 11.809 5.200 5.323 180 HG3 ARG 26 2HG ARG 26 13.125 4.653 4.303 181 HD2 ARG 26 1HD ARG 26 14.027 6.910 4.110 182 HD3 ARG 26 2HD ARG 26 12.602 7.610 4.852 183 HE ARG 26 HE ARG 26 13.641 5.738 6.708 184 HH11 ARG 26 2HH2 ARG 26 14.645 8.749 5.190 185 HH12 ARG 26 1HH2 ARG 26 15.647 9.233 6.518 186 HH21 ARG 26 2HH1 ARG 26 14.963 6.376 8.460 187 HH22 ARG 26 1HH1 ARG 26 15.829 7.874 8.390 188 H VAL 27 H VAL 27 8.772 8.238 4.539 189 HA VAL 27 HA VAL 27 9.684 10.051 2.421 190 HB VAL 27 HB VAL 27 7.317 10.977 2.503 191 HG11 VAL 27 1HG1 VAL 27 6.556 8.715 1.160 192 HG12 VAL 27 2HG1 VAL 27 7.566 10.013 0.480 193 HG13 VAL 27 3HG1 VAL 27 8.328 8.553 1.156 194 HG21 VAL 27 1HG2 VAL 27 5.727 10.028 3.754 195 HG22 VAL 27 2HG2 VAL 27 6.128 8.402 3.151 196 HG23 VAL 27 3HG2 VAL 27 7.014 9.080 4.537 197 H SER 28 H SER 28 9.279 12.404 3.047 198 HA SER 28 HA SER 28 9.643 12.623 5.933 199 HB2 SER 28 1HB SER 28 11.327 13.475 3.801 200 HB3 SER 28 2HB SER 28 10.616 14.937 4.454 201 HG SER 28 HG SER 28 12.243 14.718 5.864 202 H PHE 29 H PHE 29 7.330 12.921 3.664 203 HA PHE 29 HA PHE 29 6.249 15.360 4.888 204 HB2 PHE 29 1HB PHE 29 5.076 15.521 2.546 205 HB3 PHE 29 2HB PHE 29 6.783 15.915 2.594 206 HD1 PHE 29 2HD PHE 29 4.408 13.176 1.808 207 HD2 PHE 29 1HD PHE 29 8.324 14.723 1.281 208 HE1 PHE 29 2HE PHE 29 4.857 11.441 0.050 209 HE2 PHE 29 1HE PHE 29 8.773 12.989 -0.477 210 HZ PHE 29 HZ PHE 29 7.034 11.368 -1.071 211 H ARG 30 H ARG 30 3.710 15.422 4.328 212 HA ARG 30 HA ARG 30 2.765 12.872 5.292 213 HB2 ARG 30 1HB ARG 30 1.913 15.706 5.530 214 HB3 ARG 30 2HB ARG 30 0.572 14.613 5.249 215 HG2 ARG 30 1HG ARG 30 0.837 13.527 7.282 216 HG3 ARG 30 2HG ARG 30 2.580 13.709 7.280 217 HD2 ARG 30 1HD ARG 30 2.488 15.928 8.120 218 HD3 ARG 30 2HD ARG 30 0.837 16.171 7.586 219 HE ARG 30 HE ARG 30 0.667 14.074 9.426 220 HH11 ARG 30 2HH2 ARG 30 1.859 17.384 9.502 221 HH12 ARG 30 1HH2 ARG 30 1.516 17.604 11.186 222 HH21 ARG 30 2HH1 ARG 30 0.215 14.364 11.647 223 HH22 ARG 30 1HH1 ARG 30 0.575 15.875 12.414 224 H LEU 31 H LEU 31 2.420 11.499 3.526 225 HA LEU 31 HA LEU 31 1.800 12.212 0.976 226 HB2 LEU 31 1HB LEU 31 1.213 9.764 2.613 227 HB3 LEU 31 2HB LEU 31 0.668 9.879 0.951 228 HG LEU 31 HG LEU 31 3.523 10.530 1.362 229 HD11 LEU 31 1HD1 LEU 31 2.373 7.893 2.186 230 HD12 LEU 31 2HD1 LEU 31 3.943 7.932 1.348 231 HD13 LEU 31 3HD1 LEU 31 3.727 8.820 2.875 232 HD21 LEU 31 1HD2 LEU 31 2.586 10.432 -0.862 233 HD22 LEU 31 2HD2 LEU 31 3.754 9.106 -0.650 234 HD23 LEU 31 3HD2 LEU 31 2.007 8.772 -0.586 235 H LYS 32 H LYS 32 -0.098 12.524 -0.252 236 HA LYS 32 HA LYS 32 -2.379 13.323 1.394 237 HB2 LYS 32 1HB LYS 32 -1.399 14.132 -1.343 238 HB3 LYS 32 2HB LYS 32 -3.045 14.452 -0.836 239 HG2 LYS 32 1HG LYS 32 -1.355 15.238 1.343 240 HG3 LYS 32 2HG LYS 32 -0.615 15.870 -0.114 241 HD2 LYS 32 1HD LYS 32 -3.026 16.693 -0.738 242 HD3 LYS 32 2HD LYS 32 -3.416 16.397 0.944 243 HE2 LYS 32 1HE LYS 32 -1.056 17.813 1.201 244 HE3 LYS 32 2HE LYS 32 -1.710 18.527 -0.259 245 HZ1 LYS 32 1HZ LYS 32 -3.373 18.176 2.121 246 HZ2 LYS 32 2HZ LYS 32 -2.424 19.492 1.937 247 HZ3 LYS 32 3HZ LYS 32 -3.611 19.184 0.859 248 H GLY 33 H GLY 33 -1.471 11.437 -1.558 249 HA2 GLY 33 1HA GLY 33 -2.661 9.172 -1.379 250 HA3 GLY 33 2HA GLY 33 -4.117 10.144 -1.453 251 H LYS 34 H LYS 34 -2.273 12.098 -3.213 252 HA LYS 34 HA LYS 34 -3.020 10.770 -5.697 253 HB2 LYS 34 1HB LYS 34 -2.967 12.927 -6.699 254 HB3 LYS 34 2HB LYS 34 -3.823 13.085 -5.178 255 HG2 LYS 34 1HG LYS 34 -1.492 13.731 -4.165 256 HG3 LYS 34 2HG LYS 34 -0.982 13.953 -5.827 257 HD2 LYS 34 1HD LYS 34 -3.544 15.265 -4.884 258 HD3 LYS 34 2HD LYS 34 -2.007 15.987 -4.450 259 HE2 LYS 34 1HE LYS 34 -1.444 15.738 -7.024 260 HE3 LYS 34 2HE LYS 34 -3.177 15.569 -7.219 261 HZ1 LYS 34 1HZ LYS 34 -1.929 17.892 -7.119 262 HZ2 LYS 34 2HZ LYS 34 -3.498 17.702 -6.707 263 HZ3 LYS 34 3HZ LYS 34 -2.349 17.750 -5.548 264 H ASP 35 H ASP 35 -0.410 10.835 -3.640 265 HA ASP 35 HA ASP 35 1.458 10.803 -5.876 266 HB2 ASP 35 1HB ASP 35 1.593 11.799 -3.096 267 HB3 ASP 35 2HB ASP 35 2.953 10.769 -3.498 268 H VAL 36 H VAL 36 -0.473 8.773 -4.192 269 HA VAL 36 HA VAL 36 1.582 6.680 -4.007 270 HB VAL 36 HB VAL 36 1.078 6.760 -1.825 271 HG11 VAL 36 1HG1 VAL 36 -1.194 7.594 -0.962 272 HG12 VAL 36 2HG1 VAL 36 -0.123 8.785 -1.739 273 HG13 VAL 36 3HG1 VAL 36 -1.503 8.109 -2.638 274 HG21 VAL 36 1HG2 VAL 36 -1.347 5.308 -2.927 275 HG22 VAL 36 2HG2 VAL 36 0.204 4.606 -2.407 276 HG23 VAL 36 3HG2 VAL 36 -0.895 5.323 -1.205 277 H VAL 37 H VAL 37 0.582 4.422 -4.283 278 HA VAL 37 HA VAL 37 -1.673 4.565 -6.156 279 HB VAL 37 HB VAL 37 -0.468 3.758 -7.820 280 HG11 VAL 37 1HG1 VAL 37 1.850 4.157 -7.858 281 HG12 VAL 37 2HG1 VAL 37 1.226 5.296 -6.640 282 HG13 VAL 37 3HG1 VAL 37 2.034 3.797 -6.124 283 HG21 VAL 37 1HG2 VAL 37 -0.716 1.516 -6.616 284 HG22 VAL 37 2HG2 VAL 37 0.604 1.650 -7.803 285 HG23 VAL 37 3HG2 VAL 37 0.959 1.750 -6.061 286 H VAL 38 H VAL 38 -3.348 3.477 -5.275 287 HA VAL 38 HA VAL 38 -2.725 0.958 -3.923 288 HB VAL 38 HB VAL 38 -4.444 3.214 -2.884 289 HG11 VAL 38 1HG1 VAL 38 -4.628 0.311 -2.433 290 HG12 VAL 38 2HG1 VAL 38 -4.491 1.268 -0.938 291 HG13 VAL 38 3HG1 VAL 38 -5.803 1.605 -2.093 292 HG21 VAL 38 1HG2 VAL 38 -2.185 3.575 -2.264 293 HG22 VAL 38 2HG2 VAL 38 -2.965 2.846 -0.839 294 HG23 VAL 38 3HG2 VAL 38 -1.928 1.853 -1.891 295 H ASP 39 H ASP 39 -3.429 -0.257 -5.703 296 HA ASP 39 HA ASP 39 -6.003 0.386 -6.796 297 HB2 ASP 39 1HB ASP 39 -3.748 -0.632 -7.920 298 HB3 ASP 39 2HB ASP 39 -4.537 -2.142 -7.513 299 H ILE 40 H ILE 40 -7.878 -0.559 -5.973 300 HA ILE 40 HA ILE 40 -7.533 -3.030 -4.421 301 HB ILE 40 HB ILE 40 -9.411 -0.702 -4.077 302 HG12 ILE 40 1HG1 ILE 40 -7.318 -1.978 -2.295 303 HG13 ILE 40 2HG1 ILE 40 -7.229 -0.405 -3.063 304 HG21 ILE 40 1HG2 ILE 40 -9.971 -3.469 -3.587 305 HG22 ILE 40 2HG2 ILE 40 -9.834 -2.615 -2.031 306 HG23 ILE 40 3HG2 ILE 40 -10.981 -2.039 -3.265 307 HD11 ILE 40 1HD1 ILE 40 -8.391 -1.063 -0.528 308 HD12 ILE 40 2HD1 ILE 40 -8.321 0.531 -1.318 309 HD13 ILE 40 3HD1 ILE 40 -9.714 -0.541 -1.598 310 H GLN 41 H GLN 41 -7.778 -4.493 -6.143 311 HA GLN 41 HA GLN 41 -10.246 -4.208 -7.646 312 HB2 GLN 41 1HB GLN 41 -7.789 -5.950 -8.123 313 HB3 GLN 41 2HB GLN 41 -9.218 -5.973 -9.137 314 HG2 GLN 41 1HG GLN 41 -8.356 -4.238 -10.313 315 HG3 GLN 41 2HG GLN 41 -8.552 -3.227 -8.895 316 HE21 GLN 41 1HE2 GLN 41 -6.466 -3.641 -11.111 317 HE22 GLN 41 2HE2 GLN 41 -4.944 -3.668 -10.284 318 H ARG 42 H ARG 42 -11.491 -6.295 -8.099 319 HA ARG 42 HA ARG 42 -12.425 -7.363 -5.839 320 HB2 ARG 42 1HB ARG 42 -13.244 -7.611 -8.306 321 HB3 ARG 42 2HB ARG 42 -12.200 -9.015 -8.394 322 HG2 ARG 42 1HG ARG 42 -14.352 -9.868 -7.779 323 HG3 ARG 42 2HG ARG 42 -13.402 -9.911 -6.307 324 HD2 ARG 42 1HD ARG 42 -14.626 -8.217 -5.294 325 HD3 ARG 42 2HD ARG 42 -14.908 -7.367 -6.800 326 HE ARG 42 HE ARG 42 -16.578 -9.482 -5.648 327 HH11 ARG 42 2HH2 ARG 42 -15.713 -7.780 -8.603 328 HH12 ARG 42 1HH2 ARG 42 -17.197 -8.162 -9.410 329 HH21 ARG 42 2HH1 ARG 42 -18.537 -9.987 -6.711 330 HH22 ARG 42 1HH1 ARG 42 -18.814 -9.426 -8.326 331 H ARG 43 H ARG 43 -10.129 -9.085 -8.094 332 HA ARG 43 HA ARG 43 -9.170 -10.499 -5.735 333 HB2 ARG 43 1HB ARG 43 -10.378 -11.616 -8.001 334 HB3 ARG 43 2HB ARG 43 -8.672 -11.810 -8.352 335 HG2 ARG 43 1HG ARG 43 -8.293 -13.044 -6.297 336 HG3 ARG 43 2HG ARG 43 -9.875 -12.621 -5.671 337 HD2 ARG 43 1HD ARG 43 -10.948 -14.252 -6.896 338 HD3 ARG 43 2HD ARG 43 -9.946 -13.998 -8.311 339 HE ARG 43 HE ARG 43 -8.453 -15.205 -6.116 340 HH11 ARG 43 2HH2 ARG 43 -10.642 -15.895 -8.783 341 HH12 ARG 43 1HH2 ARG 43 -10.130 -17.541 -8.946 342 HH21 ARG 43 2HH1 ARG 43 -7.777 -17.377 -6.329 343 HH22 ARG 43 1HH1 ARG 43 -8.489 -18.390 -7.540 344 H HIS 44 H HIS 44 -8.018 -8.057 -6.287 345 HA HIS 44 HA HIS 44 -5.350 -8.796 -6.839 346 HB2 HIS 44 1HB HIS 44 -6.795 -8.248 -9.127 347 HB3 HIS 44 2HB HIS 44 -6.065 -6.695 -8.767 348 HD1 HIS 44 1HD HIS 44 -3.301 -6.906 -8.260 349 HD2 HIS 44 2HD HIS 44 -5.149 -9.895 -10.551 350 HE1 HIS 44 1HE HIS 44 -1.434 -8.077 -9.547 351 H LEU 45 H LEU 45 -4.029 -7.456 -5.668 352 HA LEU 45 HA LEU 45 -5.140 -4.841 -4.942 353 HB2 LEU 45 1HB LEU 45 -5.449 -6.576 -3.148 354 HB3 LEU 45 2HB LEU 45 -3.703 -6.685 -3.032 355 HG LEU 45 HG LEU 45 -3.531 -4.397 -2.290 356 HD11 LEU 45 1HD1 LEU 45 -6.238 -4.192 -3.392 357 HD12 LEU 45 2HD1 LEU 45 -6.059 -3.429 -1.794 358 HD13 LEU 45 3HD1 LEU 45 -4.998 -2.941 -3.137 359 HD21 LEU 45 1HD2 LEU 45 -5.750 -5.048 -0.518 360 HD22 LEU 45 2HD2 LEU 45 -4.705 -6.453 -0.841 361 HD23 LEU 45 3HD2 LEU 45 -4.003 -4.953 -0.187 362 H ARG 46 H ARG 46 -3.839 -3.321 -5.802 363 HA ARG 46 HA ARG 46 -1.001 -3.973 -5.851 364 HB2 ARG 46 1HB ARG 46 -2.396 -3.641 -8.092 365 HB3 ARG 46 2HB ARG 46 -2.259 -1.935 -7.717 366 HG2 ARG 46 1HG ARG 46 0.240 -2.181 -7.585 367 HG3 ARG 46 2HG ARG 46 0.085 -3.875 -8.005 368 HD2 ARG 46 1HD ARG 46 -1.002 -1.640 -9.778 369 HD3 ARG 46 2HD ARG 46 0.622 -2.274 -9.950 370 HE ARG 46 HE ARG 46 -1.177 -4.488 -9.932 371 HH11 ARG 46 2HH2 ARG 46 -0.348 -1.737 -11.964 372 HH12 ARG 46 1HH2 ARG 46 -0.817 -2.520 -13.436 373 HH21 ARG 46 2HH1 ARG 46 -1.796 -5.522 -11.875 374 HH22 ARG 46 1HH1 ARG 46 -1.646 -4.687 -13.385 375 H VAL 47 H VAL 47 -0.307 -2.932 -3.953 376 HA VAL 47 HA VAL 47 -1.048 -0.098 -3.717 377 HB VAL 47 HB VAL 47 -0.379 -2.198 -1.656 378 HG11 VAL 47 1HG1 VAL 47 0.210 0.610 -1.552 379 HG12 VAL 47 2HG1 VAL 47 -1.090 0.247 -0.392 380 HG13 VAL 47 3HG1 VAL 47 0.454 -0.635 -0.304 381 HG21 VAL 47 1HG2 VAL 47 -2.831 -0.545 -2.295 382 HG22 VAL 47 2HG2 VAL 47 -2.669 -2.317 -2.220 383 HG23 VAL 47 3HG2 VAL 47 -2.610 -1.353 -0.724 384 H GLY 48 H GLY 48 0.542 1.263 -4.337 385 HA2 GLY 48 1HA GLY 48 3.274 0.710 -3.494 386 HA3 GLY 48 2HA GLY 48 2.994 0.746 -5.224 387 H LEU 49 H LEU 49 4.685 2.626 -4.648 388 HA LEU 49 HA LEU 49 3.130 5.062 -4.130 389 HB2 LEU 49 1HB LEU 49 5.937 4.242 -3.524 390 HB3 LEU 49 2HB LEU 49 5.605 5.935 -3.835 391 HG LEU 49 HG LEU 49 4.473 4.203 -1.630 392 HD11 LEU 49 1HD1 LEU 49 5.456 6.474 -0.478 393 HD12 LEU 49 2HD1 LEU 49 6.347 4.943 -0.648 394 HD13 LEU 49 3HD1 LEU 49 6.582 6.246 -1.838 395 HD21 LEU 49 1HD2 LEU 49 3.469 6.794 -2.735 396 HD22 LEU 49 2HD2 LEU 49 2.576 5.405 -2.069 397 HD23 LEU 49 3HD2 LEU 49 3.416 6.531 -0.975 398 H LYS 50 H LYS 50 2.862 6.519 -5.754 399 HA LYS 50 HA LYS 50 3.226 5.927 -8.348 400 HB2 LYS 50 1HB LYS 50 2.864 8.418 -6.792 401 HB3 LYS 50 2HB LYS 50 3.511 8.642 -8.405 402 HG2 LYS 50 1HG LYS 50 1.541 8.062 -9.408 403 HG3 LYS 50 2HG LYS 50 1.303 6.683 -8.353 404 HD2 LYS 50 1HD LYS 50 0.490 8.192 -6.541 405 HD3 LYS 50 2HD LYS 50 0.761 9.586 -7.568 406 HE2 LYS 50 1HE LYS 50 -0.827 7.709 -9.071 407 HE3 LYS 50 2HE LYS 50 -1.546 7.842 -7.478 408 HZ1 LYS 50 1HZ LYS 50 -2.275 9.517 -9.135 409 HZ2 LYS 50 2HZ LYS 50 -1.735 10.151 -7.731 410 HZ3 LYS 50 3HZ LYS 50 -0.790 10.192 -9.062 411 H GLY 51 H GLY 51 4.912 5.554 -9.681 412 HA2 GLY 51 1HA GLY 51 6.952 5.961 -10.648 413 HA3 GLY 51 2HA GLY 51 7.377 7.053 -9.344 414 H GLN 52 H GLN 52 6.841 5.361 -7.079 415 HA GLN 52 HA GLN 52 9.199 3.763 -7.239 416 HB2 GLN 52 1HB GLN 52 7.236 4.263 -4.958 417 HB3 GLN 52 2HB GLN 52 8.730 3.362 -4.792 418 HG2 GLN 52 1HG GLN 52 9.272 5.583 -4.095 419 HG3 GLN 52 2HG GLN 52 9.949 5.439 -5.705 420 HE21 GLN 52 1HE2 GLN 52 7.380 6.762 -3.747 421 HE22 GLN 52 2HE2 GLN 52 6.807 7.959 -4.861 422 HA PRO 53 HA PRO 53 7.280 -0.112 -7.624 423 HB2 PRO 53 1HB PRO 53 8.718 -1.767 -5.993 424 HB3 PRO 53 2HB PRO 53 9.280 -1.253 -7.571 425 HG2 PRO 53 1HG PRO 53 10.163 -0.340 -4.902 426 HG3 PRO 53 2HG PRO 53 10.977 -0.171 -6.445 427 HD2 PRO 53 1HD PRO 53 9.545 1.870 -5.026 428 HD3 PRO 53 2HD PRO 53 10.259 2.006 -6.620 429 HA PRO 54 HA PRO 54 4.262 -0.570 -4.663 430 HB2 PRO 54 1HB PRO 54 2.854 -2.654 -5.733 431 HB3 PRO 54 2HB PRO 54 2.638 -0.991 -6.241 432 HG2 PRO 54 1HG PRO 54 4.034 -3.191 -7.640 433 HG3 PRO 54 2HG PRO 54 3.443 -1.675 -8.292 434 HD2 PRO 54 1HD PRO 54 6.166 -2.333 -7.676 435 HD3 PRO 54 2HD PRO 54 5.560 -0.781 -8.219 436 H VAL 55 H VAL 55 3.782 -1.616 -2.750 437 HA VAL 55 HA VAL 55 5.737 -3.661 -2.155 438 HB VAL 55 HB VAL 55 3.613 -2.475 -0.367 439 HG11 VAL 55 1HG1 VAL 55 4.470 -4.183 0.883 440 HG12 VAL 55 2HG1 VAL 55 6.027 -4.185 0.021 441 HG13 VAL 55 3HG1 VAL 55 5.693 -2.944 1.253 442 HG21 VAL 55 1HG2 VAL 55 6.360 -1.403 -1.068 443 HG22 VAL 55 2HG2 VAL 55 4.787 -0.588 -1.239 444 HG23 VAL 55 3HG2 VAL 55 5.453 -0.907 0.381 445 H VAL 56 H VAL 56 2.241 -3.286 -2.755 446 HA VAL 56 HA VAL 56 1.962 -6.179 -2.326 447 HB VAL 56 HB VAL 56 -0.250 -4.131 -2.350 448 HG11 VAL 56 1HG1 VAL 56 -1.600 -5.811 -1.398 449 HG12 VAL 56 2HG1 VAL 56 -0.678 -6.644 -2.672 450 HG13 VAL 56 3HG1 VAL 56 -0.198 -6.819 -0.966 451 HG21 VAL 56 1HG2 VAL 56 -0.143 -3.931 0.019 452 HG22 VAL 56 2HG2 VAL 56 1.086 -5.212 0.145 453 HG23 VAL 56 3HG2 VAL 56 1.507 -3.644 -0.584 454 H ASP 57 H ASP 57 1.612 -7.421 -4.099 455 HA ASP 57 HA ASP 57 0.126 -6.406 -6.272 456 HB2 ASP 57 1HB ASP 57 2.153 -5.358 -6.996 457 HB3 ASP 57 2HB ASP 57 3.139 -6.716 -6.491 458 H GLY 58 H GLY 58 -1.064 -8.385 -5.690 459 HA2 GLY 58 1HA GLY 58 -0.165 -10.723 -7.056 460 HA3 GLY 58 2HA GLY 58 -0.025 -10.906 -5.319 461 H GLU 59 H GLU 59 -1.809 -12.462 -6.949 462 HA GLU 59 HA GLU 59 -4.379 -11.364 -6.928 463 HB2 GLU 59 1HB GLU 59 -3.854 -13.188 -8.431 464 HB3 GLU 59 2HB GLU 59 -3.354 -14.225 -7.109 465 HG2 GLU 59 1HG GLU 59 -5.679 -14.241 -6.217 466 HG3 GLU 59 2HG GLU 59 -6.191 -13.158 -7.496 467 H LEU 60 H LEU 60 -5.768 -11.045 -5.242 468 HA LEU 60 HA LEU 60 -5.060 -11.618 -2.628 469 HB2 LEU 60 1HB LEU 60 -7.729 -11.001 -3.893 470 HB3 LEU 60 2HB LEU 60 -7.480 -11.109 -2.162 471 HG LEU 60 HG LEU 60 -5.912 -9.202 -3.908 472 HD11 LEU 60 1HD1 LEU 60 -7.567 -7.482 -2.897 473 HD12 LEU 60 2HD1 LEU 60 -8.063 -8.438 -4.314 474 HD13 LEU 60 3HD1 LEU 60 -8.644 -8.885 -2.692 475 HD21 LEU 60 1HD2 LEU 60 -5.544 -9.988 -1.282 476 HD22 LEU 60 2HD2 LEU 60 -4.911 -8.507 -2.041 477 HD23 LEU 60 3HD2 LEU 60 -6.443 -8.459 -1.134 478 H TYR 61 H TYR 61 -6.349 -13.026 -1.066 479 HA TYR 61 HA TYR 61 -6.201 -15.703 -1.996 480 HB2 TYR 61 1HB TYR 61 -5.672 -15.013 0.328 481 HB3 TYR 61 2HB TYR 61 -7.227 -14.222 0.496 482 HD1 TYR 61 2HD TYR 61 -5.588 -17.549 0.188 483 HD2 TYR 61 1HD TYR 61 -9.139 -15.415 1.259 484 HE1 TYR 61 2HE TYR 61 -6.563 -19.666 1.202 485 HE2 TYR 61 1HE TYR 61 -10.102 -17.540 2.269 486 HH TYR 61 HH TYR 61 -9.113 -19.662 3.276 487 H ASN 62 H ASN 62 -8.846 -13.356 -1.376 488 HA ASN 62 HA ASN 62 -10.575 -15.074 -2.883 489 HB2 ASN 62 1HB ASN 62 -10.801 -15.703 -0.376 490 HB3 ASN 62 2HB ASN 62 -11.463 -14.101 -0.122 491 HD21 ASN 62 1HD2 ASN 62 -13.561 -13.942 -0.172 492 HD22 ASN 62 2HD2 ASN 62 -14.677 -14.955 -1.026 493 H GLU 63 H GLU 63 -12.280 -13.811 -3.884 494 HA GLU 63 HA GLU 63 -11.805 -11.254 -4.458 495 HB2 GLU 63 1HB GLU 63 -14.474 -12.700 -4.241 496 HB3 GLU 63 2HB GLU 63 -14.331 -11.099 -4.938 497 HG2 GLU 63 1HG GLU 63 -13.194 -11.857 -6.822 498 HG3 GLU 63 2HG GLU 63 -12.416 -13.172 -5.963 499 H VAL 64 H VAL 64 -12.602 -9.160 -3.762 500 HA VAL 64 HA VAL 64 -13.818 -9.136 -1.105 501 HB VAL 64 HB VAL 64 -12.202 -7.243 -0.566 502 HG11 VAL 64 1HG1 VAL 64 -10.645 -9.787 -0.762 503 HG12 VAL 64 2HG1 VAL 64 -10.891 -8.695 0.623 504 HG13 VAL 64 3HG1 VAL 64 -12.183 -9.817 0.134 505 HG21 VAL 64 1HG2 VAL 64 -10.653 -8.528 -2.841 506 HG22 VAL 64 2HG2 VAL 64 -11.304 -6.871 -2.804 507 HG23 VAL 64 3HG2 VAL 64 -10.001 -7.341 -1.686 508 H LYS 65 H LYS 65 -15.370 -7.554 -0.866 509 HA LYS 65 HA LYS 65 -16.370 -6.345 -3.169 510 HB2 LYS 65 1HB LYS 65 -17.513 -6.950 -0.923 511 HB3 LYS 65 2HB LYS 65 -16.948 -5.387 -0.368 512 HG2 LYS 65 1HG LYS 65 -18.466 -4.243 -1.646 513 HG3 LYS 65 2HG LYS 65 -18.203 -5.264 -3.046 514 HD2 LYS 65 1HD LYS 65 -19.705 -6.972 -2.200 515 HD3 LYS 65 2HD LYS 65 -19.777 -6.222 -0.618 516 HE2 LYS 65 1HE LYS 65 -20.649 -4.119 -2.102 517 HE3 LYS 65 2HE LYS 65 -21.149 -5.415 -3.169 518 HZ1 LYS 65 1HZ LYS 65 -22.906 -5.162 -1.737 519 HZ2 LYS 65 2HZ LYS 65 -22.116 -6.420 -1.058 520 HZ3 LYS 65 3HZ LYS 65 -21.977 -4.926 -0.415 521 H VAL 66 H VAL 66 -14.958 -5.064 -4.333 522 HA VAL 66 HA VAL 66 -13.239 -3.210 -3.046 523 HB VAL 66 HB VAL 66 -12.495 -2.698 -5.184 524 HG11 VAL 66 1HG1 VAL 66 -12.289 -5.148 -4.494 525 HG12 VAL 66 2HG1 VAL 66 -13.608 -5.476 -5.644 526 HG13 VAL 66 3HG1 VAL 66 -12.073 -4.784 -6.223 527 HG21 VAL 66 1HG2 VAL 66 -15.300 -3.330 -6.056 528 HG22 VAL 66 2HG2 VAL 66 -14.294 -1.902 -6.399 529 HG23 VAL 66 3HG2 VAL 66 -13.967 -3.441 -7.231 530 H GLU 67 H GLU 67 -16.552 -3.161 -4.332 531 HA GLU 67 HA GLU 67 -16.786 -0.416 -4.598 532 HB2 GLU 67 1HB GLU 67 -18.789 -2.641 -4.090 533 HB3 GLU 67 2HB GLU 67 -19.309 -0.972 -4.218 534 HG2 GLU 67 1HG GLU 67 -18.203 -0.815 -6.470 535 HG3 GLU 67 2HG GLU 67 -17.725 -2.496 -6.342 536 H GLU 68 H GLU 68 -16.515 -2.442 -1.783 537 HA GLU 68 HA GLU 68 -17.477 -0.222 -0.152 538 HB2 GLU 68 1HB GLU 68 -17.395 -3.209 0.450 539 HB3 GLU 68 2HB GLU 68 -17.760 -1.994 1.658 540 HG2 GLU 68 1HG GLU 68 -19.404 -1.420 -0.627 541 HG3 GLU 68 2HG GLU 68 -19.521 -3.144 -0.336 542 H SER 69 H SER 69 -14.717 -1.345 -1.444 543 HA SER 69 HA SER 69 -13.165 -1.537 0.950 544 HB2 SER 69 1HB SER 69 -12.511 -1.623 -2.016 545 HB3 SER 69 2HB SER 69 -11.244 -1.591 -0.807 546 HG SER 69 HG SER 69 -13.356 -3.511 -0.545 547 H SER 70 H SER 70 -11.288 -0.062 1.376 548 HA SER 70 HA SER 70 -11.164 2.378 -0.036 549 HB2 SER 70 1HB SER 70 -11.815 3.869 1.837 550 HB3 SER 70 2HB SER 70 -13.164 2.889 1.297 551 HG SER 70 HG SER 70 -13.137 2.810 3.561 552 H TRP 71 H TRP 71 -9.250 3.595 0.571 553 HA TRP 71 HA TRP 71 -7.627 2.321 2.658 554 HB2 TRP 71 1HB TRP 71 -5.691 2.339 1.295 555 HB3 TRP 71 2HB TRP 71 -6.954 1.493 0.424 556 HD1 TRP 71 HD TRP 71 -8.024 2.834 -1.754 557 HE1 TRP 71 1HE TRP 71 -7.075 4.681 -3.382 558 HE3 TRP 71 3HE TRP 71 -4.218 4.302 1.282 559 HZ2 TRP 71 2HZ TRP 71 -4.888 6.508 -3.221 560 HZ3 TRP 71 3HZ TRP 71 -2.722 6.124 0.471 561 HH2 TRP 71 HH TRP 71 -3.009 7.217 -1.696 562 H LEU 72 H LEU 72 -5.927 3.845 3.495 563 HA LEU 72 HA LEU 72 -6.249 6.616 2.788 564 HB2 LEU 72 1HB LEU 72 -6.951 7.400 4.916 565 HB3 LEU 72 2HB LEU 72 -8.119 6.231 4.334 566 HG LEU 72 HG LEU 72 -7.931 5.708 6.581 567 HD11 LEU 72 1HD1 LEU 72 -6.996 3.534 6.719 568 HD12 LEU 72 2HD1 LEU 72 -7.543 3.746 5.039 569 HD13 LEU 72 3HD1 LEU 72 -5.813 3.880 5.436 570 HD21 LEU 72 1HD2 LEU 72 -5.069 5.420 6.984 571 HD22 LEU 72 2HD2 LEU 72 -5.501 7.067 6.462 572 HD23 LEU 72 3HD2 LEU 72 -6.268 6.360 7.905 573 H ILE 73 H ILE 73 -4.741 7.952 4.412 574 HA ILE 73 HA ILE 73 -2.329 6.308 4.746 575 HB ILE 73 HB ILE 73 -2.375 9.273 4.236 576 HG12 ILE 73 1HG1 ILE 73 -2.460 7.014 2.232 577 HG13 ILE 73 2HG1 ILE 73 -3.512 8.411 2.341 578 HG21 ILE 73 1HG2 ILE 73 -0.355 7.844 5.167 579 HG22 ILE 73 2HG2 ILE 73 -0.162 7.427 3.447 580 HG23 ILE 73 3HG2 ILE 73 -0.111 9.130 3.961 581 HD11 ILE 73 1HD1 ILE 73 -0.536 8.471 1.662 582 HD12 ILE 73 2HD1 ILE 73 -1.881 8.724 0.524 583 HD13 ILE 73 3HD1 ILE 73 -1.575 9.908 1.817 584 H GLU 74 H GLU 74 -1.793 5.941 6.824 585 HA GLU 74 HA GLU 74 -3.026 7.583 8.825 586 HB2 GLU 74 1HB GLU 74 -1.604 4.949 8.743 587 HB3 GLU 74 2HB GLU 74 -1.499 5.838 10.249 588 HG2 GLU 74 1HG GLU 74 -4.232 5.988 9.332 589 HG3 GLU 74 2HG GLU 74 -3.725 4.314 9.225 590 H ASP 75 H ASP 75 -1.971 9.035 10.207 591 HA ASP 75 HA ASP 75 -0.495 10.563 10.694 592 HB2 ASP 75 1HB ASP 75 1.028 7.973 10.788 593 HB3 ASP 75 2HB ASP 75 1.975 9.442 10.914 594 H GLY 76 H GLY 76 -0.925 9.932 7.749 595 HA2 GLY 76 1HA GLY 76 0.012 10.271 5.714 596 HA3 GLY 76 2HA GLY 76 0.627 11.719 6.484 597 H LYS 77 H LYS 77 1.474 8.242 7.071 598 HA LYS 77 HA LYS 77 4.131 8.795 5.988 599 HB2 LYS 77 1HB LYS 77 5.090 7.564 7.990 600 HB3 LYS 77 2HB LYS 77 4.536 9.202 8.268 601 HG2 LYS 77 1HG LYS 77 2.451 8.410 9.267 602 HG3 LYS 77 2HG LYS 77 2.788 6.757 8.792 603 HD2 LYS 77 1HD LYS 77 3.348 6.955 11.141 604 HD3 LYS 77 2HD LYS 77 4.856 6.809 10.259 605 HE2 LYS 77 1HE LYS 77 4.411 9.576 10.273 606 HE3 LYS 77 2HE LYS 77 3.824 9.081 11.848 607 HZ1 LYS 77 1HZ LYS 77 5.868 8.470 12.487 608 HZ2 LYS 77 2HZ LYS 77 6.332 7.932 11.016 609 HZ3 LYS 77 3HZ LYS 77 6.354 9.531 11.345 610 H VAL 78 H VAL 78 1.728 6.412 7.245 611 HA VAL 78 HA VAL 78 2.851 4.499 5.315 612 HB VAL 78 HB VAL 78 2.678 2.843 6.816 613 HG11 VAL 78 1HG1 VAL 78 3.565 3.476 8.837 614 HG12 VAL 78 2HG1 VAL 78 3.792 4.986 7.923 615 HG13 VAL 78 3HG1 VAL 78 2.421 4.823 9.046 616 HG21 VAL 78 1HG2 VAL 78 0.213 2.948 6.883 617 HG22 VAL 78 2HG2 VAL 78 0.909 2.575 8.479 618 HG23 VAL 78 3HG2 VAL 78 0.308 4.214 8.131 619 H VAL 79 H VAL 79 1.379 3.325 3.997 620 HA VAL 79 HA VAL 79 -1.187 4.682 3.735 621 HB VAL 79 HB VAL 79 0.488 2.924 1.953 622 HG11 VAL 79 1HG1 VAL 79 -1.693 3.793 0.435 623 HG12 VAL 79 2HG1 VAL 79 -1.366 2.132 0.987 624 HG13 VAL 79 3HG1 VAL 79 -2.410 3.202 1.953 625 HG21 VAL 79 1HG2 VAL 79 1.155 5.235 1.960 626 HG22 VAL 79 2HG2 VAL 79 0.293 4.914 0.436 627 HG23 VAL 79 3HG2 VAL 79 -0.529 5.777 1.758 628 H THR 80 H THR 80 -3.042 3.785 4.472 629 HA THR 80 HA THR 80 -2.931 0.928 5.177 630 HB THR 80 HB THR 80 -5.064 2.006 6.559 631 HG1 THR 80 1HG THR 80 -2.874 3.948 6.427 632 HG21 THR 80 1HG2 THR 80 -2.100 1.867 7.249 633 HG22 THR 80 2HG2 THR 80 -3.277 2.521 8.413 634 HG23 THR 80 3HG2 THR 80 -3.422 0.839 7.851 635 H VAL 81 H VAL 81 -4.507 -0.490 4.492 636 HA VAL 81 HA VAL 81 -6.457 0.668 2.623 637 HB VAL 81 HB VAL 81 -5.008 -1.971 2.339 638 HG11 VAL 81 1HG1 VAL 81 -6.241 -2.380 0.472 639 HG12 VAL 81 2HG1 VAL 81 -7.423 -1.349 1.313 640 HG13 VAL 81 3HG1 VAL 81 -6.379 -0.657 0.048 641 HG21 VAL 81 1HG2 VAL 81 -3.267 -0.641 1.755 642 HG22 VAL 81 2HG2 VAL 81 -4.160 -0.509 0.221 643 HG23 VAL 81 3HG2 VAL 81 -4.306 0.772 1.448 644 H HIS 82 H HIS 82 -8.553 -0.235 2.665 645 HA HIS 82 HA HIS 82 -8.962 -2.202 4.796 646 HB2 HIS 82 1HB HIS 82 -9.593 0.032 5.591 647 HB3 HIS 82 2HB HIS 82 -10.655 0.244 4.213 648 HD1 HIS 82 1HD HIS 82 -10.358 -1.670 7.462 649 HD2 HIS 82 2HD HIS 82 -13.152 -1.030 4.400 650 HE1 HIS 82 1HE HIS 82 -12.573 -2.617 8.305 651 H LEU 83 H LEU 83 -9.495 -4.061 3.752 652 HA LEU 83 HA LEU 83 -11.136 -3.821 1.345 653 HB2 LEU 83 1HB LEU 83 -9.663 -6.241 2.382 654 HB3 LEU 83 2HB LEU 83 -10.400 -6.034 0.805 655 HG LEU 83 HG LEU 83 -8.178 -5.729 0.314 656 HD11 LEU 83 1HD1 LEU 83 -7.820 -3.453 -0.265 657 HD12 LEU 83 2HD1 LEU 83 -9.573 -3.743 -0.361 658 HD13 LEU 83 3HD1 LEU 83 -8.889 -2.880 1.037 659 HD21 LEU 83 1HD2 LEU 83 -7.504 -5.823 2.748 660 HD22 LEU 83 2HD2 LEU 83 -6.497 -4.797 1.699 661 HD23 LEU 83 3HD2 LEU 83 -7.696 -4.054 2.784 662 H GLU 84 H GLU 84 -12.855 -5.578 1.073 663 HA GLU 84 HA GLU 84 -13.973 -6.301 3.652 664 HB2 GLU 84 1HB GLU 84 -14.990 -4.211 2.038 665 HB3 GLU 84 2HB GLU 84 -16.071 -5.560 1.753 666 HG2 GLU 84 1HG GLU 84 -17.087 -5.055 3.717 667 HG3 GLU 84 2HG GLU 84 -15.648 -5.630 4.536 668 H LYS 85 H LYS 85 -13.947 -8.512 3.582 669 HA LYS 85 HA LYS 85 -13.802 -10.024 1.289 670 HB2 LYS 85 1HB LYS 85 -14.911 -10.792 4.007 671 HB3 LYS 85 2HB LYS 85 -14.432 -11.918 2.753 672 HG2 LYS 85 1HG LYS 85 -12.115 -11.197 2.861 673 HG3 LYS 85 2HG LYS 85 -12.521 -9.815 3.859 674 HD2 LYS 85 1HD LYS 85 -13.058 -11.215 5.757 675 HD3 LYS 85 2HD LYS 85 -13.068 -12.668 4.778 676 HE2 LYS 85 1HE LYS 85 -10.593 -12.283 4.303 677 HE3 LYS 85 2HE LYS 85 -10.630 -10.950 5.440 678 HZ1 LYS 85 1HZ LYS 85 -10.927 -12.357 7.181 679 HZ2 LYS 85 2HZ LYS 85 -11.646 -13.531 6.303 680 HZ3 LYS 85 3HZ LYS 85 -10.029 -13.321 6.216 681 H ILE 86 H ILE 86 -15.378 -11.407 0.208 682 HA ILE 86 HA ILE 86 -17.835 -9.988 -0.195 683 HB ILE 86 HB ILE 86 -16.641 -12.475 -1.413 684 HG12 ILE 86 1HG1 ILE 86 -15.556 -10.249 -1.870 685 HG13 ILE 86 2HG1 ILE 86 -16.112 -11.123 -3.283 686 HG21 ILE 86 1HG2 ILE 86 -18.551 -11.797 -3.172 687 HG22 ILE 86 2HG2 ILE 86 -18.799 -12.982 -1.868 688 HG23 ILE 86 3HG2 ILE 86 -19.359 -11.305 -1.664 689 HD11 ILE 86 1HD1 ILE 86 -16.892 -8.931 -3.680 690 HD12 ILE 86 2HD1 ILE 86 -18.326 -9.739 -3.002 691 HD13 ILE 86 3HD1 ILE 86 -17.333 -8.678 -1.974 692 H ASN 87 H ASN 87 -16.721 -13.007 1.382 693 HA ASN 87 HA ASN 87 -19.453 -13.688 1.972 694 HB2 ASN 87 1HB ASN 87 -16.845 -15.065 2.805 695 HB3 ASN 87 2HB ASN 87 -18.451 -15.740 2.988 696 HD21 ASN 87 1HD2 ASN 87 -15.815 -16.088 1.274 697 HD22 ASN 87 2HD2 ASN 87 -16.415 -16.518 -0.293 698 H LYS 88 H LYS 88 -16.384 -12.595 3.518 699 HA LYS 88 HA LYS 88 -15.934 -11.693 5.481 700 HB2 LYS 88 1HB LYS 88 -18.914 -11.157 5.489 701 HB3 LYS 88 2HB LYS 88 -17.831 -10.568 6.733 702 HG2 LYS 88 1HG LYS 88 -16.411 -9.659 4.675 703 HG3 LYS 88 2HG LYS 88 -17.918 -9.830 3.797 704 HD2 LYS 88 1HD LYS 88 -17.403 -8.121 6.268 705 HD3 LYS 88 2HD LYS 88 -17.832 -7.564 4.663 706 HE2 LYS 88 1HE LYS 88 -19.876 -9.413 5.434 707 HE3 LYS 88 2HE LYS 88 -19.587 -8.395 6.831 708 HZ1 LYS 88 1HZ LYS 88 -20.088 -6.507 5.620 709 HZ2 LYS 88 2HZ LYS 88 -19.901 -7.230 4.167 710 HZ3 LYS 88 3HZ LYS 88 -21.200 -7.581 5.093 711 H MET 89 H MET 89 -16.056 -14.491 5.312 712 HA MET 89 HA MET 89 -16.363 -15.075 8.057 713 HB2 MET 89 1HB MET 89 -18.033 -16.979 7.639 714 HB3 MET 89 2HB MET 89 -18.718 -15.374 7.481 715 HG2 MET 89 1HG MET 89 -17.746 -15.926 4.896 716 HG3 MET 89 2HG MET 89 -18.382 -17.469 5.432 717 HE1 MET 89 1HE MET 89 -21.893 -17.370 5.288 718 HE2 MET 89 2HE MET 89 -20.952 -17.418 3.778 719 HE3 MET 89 3HE MET 89 -20.309 -18.180 5.253 720 H GLU 90 H GLU 90 -14.023 -15.331 7.275 721 HA GLU 90 HA GLU 90 -13.390 -17.990 7.192 722 HB2 GLU 90 1HB GLU 90 -14.243 -18.098 4.915 723 HB3 GLU 90 2HB GLU 90 -13.337 -16.673 4.446 724 HG2 GLU 90 1HG GLU 90 -11.723 -18.122 3.748 725 HG3 GLU 90 2HG GLU 90 -11.325 -18.306 5.445 726 H TRP 91 H TRP 91 -11.201 -18.227 7.714 727 HA TRP 91 HA TRP 91 -9.758 -15.733 8.029 728 HB2 TRP 91 1HB TRP 91 -9.840 -17.174 9.933 729 HB3 TRP 91 2HB TRP 91 -9.282 -18.550 9.002 730 HD1 TRP 91 HD TRP 91 -6.646 -18.846 8.788 731 HE1 TRP 91 1HE TRP 91 -4.492 -17.608 9.678 732 HE3 TRP 91 3HE TRP 91 -9.077 -14.705 10.460 733 HZ2 TRP 91 2HZ TRP 91 -4.056 -15.092 10.953 734 HZ3 TRP 91 3HZ TRP 91 -7.713 -12.904 11.514 735 HH2 TRP 91 HH TRP 91 -5.287 -13.050 11.773 736 H TRP 92 H TRP 92 -8.401 -15.025 6.442 737 HA TRP 92 HA TRP 92 -7.820 -16.626 4.194 738 HB2 TRP 92 1HB TRP 92 -6.907 -13.935 5.172 739 HB3 TRP 92 2HB TRP 92 -6.173 -14.676 3.764 740 HD1 TRP 92 HD TRP 92 -9.877 -15.398 4.048 741 HE1 TRP 92 1HE TRP 92 -11.301 -14.020 2.305 742 HE3 TRP 92 3HE TRP 92 -6.102 -12.309 2.614 743 HZ2 TRP 92 2HZ TRP 92 -10.702 -11.841 0.561 744 HZ3 TRP 92 3HZ TRP 92 -6.605 -10.584 0.886 745 HH2 TRP 92 HH TRP 92 -8.812 -10.323 -0.132 746 H ASN 93 H ASN 93 -5.537 -17.166 3.478 747 HA ASN 93 HA ASN 93 -4.013 -17.986 5.822 748 HB2 ASN 93 1HB ASN 93 -4.881 -19.409 3.431 749 HB3 ASN 93 2HB ASN 93 -3.129 -19.388 3.468 750 HD21 ASN 93 1HD2 ASN 93 -4.004 -21.764 3.662 751 HD22 ASN 93 2HD2 ASN 93 -4.022 -22.414 5.267 752 H ARG 94 H ARG 94 -4.179 -15.918 3.078 753 HA ARG 94 HA ARG 94 -1.681 -14.840 3.554 754 HB2 ARG 94 1HB ARG 94 -0.904 -15.448 1.027 755 HB3 ARG 94 2HB ARG 94 -0.435 -16.422 2.406 756 HG2 ARG 94 1HG ARG 94 -1.287 -17.968 0.777 757 HG3 ARG 94 2HG ARG 94 -2.530 -17.839 2.005 758 HD2 ARG 94 1HD ARG 94 -3.971 -16.593 0.623 759 HD3 ARG 94 2HD ARG 94 -2.662 -15.944 -0.344 760 HE ARG 94 HE ARG 94 -2.885 -17.775 -1.768 761 HH11 ARG 94 2HH2 ARG 94 -4.168 -18.655 1.388 762 HH12 ARG 94 1HH2 ARG 94 -4.710 -20.218 0.873 763 HH21 ARG 94 2HH1 ARG 94 -3.601 -19.835 -2.448 764 HH22 ARG 94 1HH1 ARG 94 -4.386 -20.893 -1.323 765 H LEU 95 H LEU 95 -2.002 -12.705 2.997 766 HA LEU 95 HA LEU 95 -4.205 -11.682 1.881 767 HB2 LEU 95 1HB LEU 95 -2.172 -10.555 2.951 768 HB3 LEU 95 2HB LEU 95 -1.487 -10.507 1.339 769 HG LEU 95 HG LEU 95 -3.573 -9.252 0.607 770 HD11 LEU 95 1HD1 LEU 95 -4.194 -8.146 3.184 771 HD12 LEU 95 2HD1 LEU 95 -5.268 -8.927 1.998 772 HD13 LEU 95 3HD1 LEU 95 -4.425 -9.911 3.219 773 HD21 LEU 95 1HD2 LEU 95 -1.321 -8.239 1.076 774 HD22 LEU 95 2HD2 LEU 95 -2.704 -7.135 1.264 775 HD23 LEU 95 3HD2 LEU 95 -1.918 -7.829 2.702 776 H VAL 96 H VAL 96 -1.186 -12.497 0.031 777 HA VAL 96 HA VAL 96 -2.910 -12.693 -2.342 778 HB VAL 96 HB VAL 96 -0.791 -12.074 -3.591 779 HG11 VAL 96 1HG1 VAL 96 -2.857 -10.571 -2.803 780 HG12 VAL 96 2HG1 VAL 96 -1.566 -9.730 -1.912 781 HG13 VAL 96 3HG1 VAL 96 -1.466 -9.892 -3.682 782 HG21 VAL 96 1HG2 VAL 96 0.969 -10.925 -2.452 783 HG22 VAL 96 2HG2 VAL 96 0.080 -10.958 -0.910 784 HG23 VAL 96 3HG2 VAL 96 0.716 -12.469 -1.604 785 H THR 97 H THR 97 -2.451 -14.424 -3.807 786 HA THR 97 HA THR 97 -1.350 -16.724 -2.473 787 HB THR 97 HB THR 97 -2.153 -17.832 -4.608 788 HG1 THR 97 1HG THR 97 -1.660 -15.737 -5.805 789 HG21 THR 97 1HG2 THR 97 -4.118 -17.840 -3.411 790 HG22 THR 97 2HG2 THR 97 -3.844 -16.188 -2.807 791 HG23 THR 97 3HG2 THR 97 -4.569 -16.439 -4.413 792 H SER 98 H SER 98 -0.281 -14.328 -4.842 793 HA SER 98 HA SER 98 2.206 -15.842 -4.987 794 HB2 SER 98 1HB SER 98 2.496 -14.815 -7.300 795 HB3 SER 98 2HB SER 98 1.236 -16.026 -7.172 796 HG SER 98 HG SER 98 -0.330 -14.267 -6.950 797 H ASP 99 H ASP 99 3.591 -14.710 -3.653 798 HA ASP 99 HA ASP 99 3.382 -12.265 -2.713 799 HB2 ASP 99 1HB ASP 99 5.942 -12.189 -2.698 800 HB3 ASP 99 2HB ASP 99 5.220 -13.628 -2.005 801 HA PRO 100 HA PRO 100 4.080 -9.453 -6.005 802 HB2 PRO 100 1HB PRO 100 5.155 -7.287 -4.733 803 HB3 PRO 100 2HB PRO 100 3.439 -7.645 -4.732 804 HG2 PRO 100 1HG PRO 100 5.408 -8.000 -2.555 805 HG3 PRO 100 2HG PRO 100 3.659 -7.943 -2.455 806 HD2 PRO 100 1HD PRO 100 5.311 -10.284 -2.316 807 HD3 PRO 100 2HD PRO 100 3.559 -10.237 -2.333 808 H GLU 101 H GLU 101 6.893 -8.702 -4.018 809 HA GLU 101 HA GLU 101 8.466 -9.439 -6.363 810 HB2 GLU 101 1HB GLU 101 8.819 -7.155 -4.390 811 HB3 GLU 101 2HB GLU 101 10.146 -7.711 -5.391 812 HG2 GLU 101 1HG GLU 101 8.172 -7.479 -7.290 813 HG3 GLU 101 2HG GLU 101 7.668 -6.229 -6.170 814 H ILE 102 H ILE 102 9.129 -8.663 -2.870 815 HA ILE 102 HA ILE 102 10.944 -10.910 -2.776 816 HB ILE 102 HB ILE 102 10.222 -8.955 -0.596 817 HG12 ILE 102 1HG1 ILE 102 12.736 -8.367 -1.857 818 HG13 ILE 102 2HG1 ILE 102 11.483 -8.394 -3.083 819 HG21 ILE 102 1HG2 ILE 102 11.360 -10.702 0.420 820 HG22 ILE 102 2HG2 ILE 102 12.405 -10.984 -0.993 821 HG23 ILE 102 3HG2 ILE 102 12.665 -9.554 0.034 822 HD11 ILE 102 1HD1 ILE 102 11.778 -6.585 -0.702 823 HD12 ILE 102 2HD1 ILE 102 11.244 -6.205 -2.357 824 HD13 ILE 102 3HD1 ILE 102 10.127 -7.000 -1.221 825 H ASN 103 H ASN 103 10.819 -12.316 -0.681 826 HA ASN 103 HA ASN 103 8.010 -13.032 -0.361 827 HB2 ASN 103 1HB ASN 103 9.980 -14.621 -1.441 828 HB3 ASN 103 2HB ASN 103 10.147 -15.054 0.249 829 HD21 ASN 103 1HD2 ASN 103 9.286 -16.744 -1.856 830 HD22 ASN 103 2HD2 ASN 103 7.666 -17.265 -1.534 831 H THR 104 H THR 104 11.292 -13.477 1.184 832 HA THR 104 HA THR 104 10.056 -12.773 3.763 833 HB THR 104 HB THR 104 11.640 -14.501 4.741 834 HG1 THR 104 1HG THR 104 13.179 -14.740 3.091 835 HG21 THR 104 1HG2 THR 104 9.344 -15.287 4.267 836 HG22 THR 104 2HG2 THR 104 9.749 -15.501 2.547 837 HG23 THR 104 3HG2 THR 104 10.501 -16.546 3.775 838 H LYS 105 H LYS 105 10.799 -10.872 4.445 839 HA LYS 105 HA LYS 105 13.651 -10.351 3.993 840 HB2 LYS 105 1HB LYS 105 12.555 -9.000 2.377 841 HB3 LYS 105 2HB LYS 105 11.306 -8.510 3.503 842 HG2 LYS 105 1HG LYS 105 12.722 -6.634 3.518 843 HG3 LYS 105 2HG LYS 105 13.284 -7.515 4.926 844 HD2 LYS 105 1HD LYS 105 15.159 -8.466 3.674 845 HD3 LYS 105 2HD LYS 105 14.537 -7.835 2.161 846 HE2 LYS 105 1HE LYS 105 15.105 -5.601 2.697 847 HE3 LYS 105 2HE LYS 105 15.111 -5.905 4.423 848 HZ1 LYS 105 1HZ LYS 105 17.080 -6.996 2.533 849 HZ2 LYS 105 2HZ LYS 105 17.328 -5.709 3.508 850 HZ3 LYS 105 3HZ LYS 105 17.100 -7.191 4.154 851 H LYS 106 H LYS 106 14.062 -11.188 6.119 852 HA LYS 106 HA LYS 106 14.105 -9.276 8.101 853 HB2 LYS 106 1HB LYS 106 11.508 -10.177 7.865 854 HB3 LYS 106 2HB LYS 106 12.136 -11.198 9.142 855 HG2 LYS 106 1HG LYS 106 11.672 -9.431 10.514 856 HG3 LYS 106 2HG LYS 106 13.167 -8.754 9.898 857 HD2 LYS 106 1HD LYS 106 12.083 -7.235 8.513 858 HD3 LYS 106 2HD LYS 106 10.726 -8.302 8.215 859 HE2 LYS 106 1HE LYS 106 9.717 -7.792 10.347 860 HE3 LYS 106 2HE LYS 106 11.184 -7.049 10.953 861 HZ1 LYS 106 1HZ LYS 106 9.449 -5.491 10.174 862 HZ2 LYS 106 2HZ LYS 106 10.907 -5.258 9.477 863 HZ3 LYS 106 3HZ LYS 106 9.712 -5.996 8.644 864 H ILE 107 H ILE 107 15.093 -10.117 10.096 865 HA ILE 107 HA ILE 107 16.411 -12.674 9.537 866 HB ILE 107 HB ILE 107 17.227 -10.332 11.259 867 HG12 ILE 107 1HG1 ILE 107 18.667 -11.376 8.825 868 HG13 ILE 107 2HG1 ILE 107 17.351 -10.230 8.668 869 HG21 ILE 107 1HG2 ILE 107 17.971 -13.077 11.471 870 HG22 ILE 107 2HG2 ILE 107 19.363 -12.165 10.840 871 HG23 ILE 107 3HG2 ILE 107 18.596 -11.673 12.369 872 HD11 ILE 107 1HD1 ILE 107 18.561 -8.496 9.580 873 HD12 ILE 107 2HD1 ILE 107 19.399 -9.556 10.739 874 HD13 ILE 107 3HD1 ILE 107 19.943 -9.483 9.046 875 H ASN 108 H ASN 108 15.050 -10.713 12.278 876 HA ASN 108 HA ASN 108 14.840 -13.116 13.818 877 HB2 ASN 108 1HB ASN 108 14.120 -11.637 15.631 878 HB3 ASN 108 2HB ASN 108 15.472 -10.870 14.821 879 HD21 ASN 108 1HD2 ASN 108 13.543 -9.565 16.402 880 HD22 ASN 108 2HD2 ASN 108 12.664 -8.438 15.423 881 HA PRO 109 HA PRO 109 10.582 -13.694 12.944 882 HB2 PRO 109 1HB PRO 109 9.629 -14.828 15.241 883 HB3 PRO 109 2HB PRO 109 10.525 -15.724 14.030 884 HG2 PRO 109 1HG PRO 109 11.433 -14.762 16.674 885 HG3 PRO 109 2HG PRO 109 12.144 -15.994 15.650 886 HD2 PRO 109 1HD PRO 109 13.086 -13.309 16.009 887 HD3 PRO 109 2HD PRO 109 13.726 -14.505 14.899 888 H GLU 110 H GLU 110 10.861 -12.429 16.235 889 HA GLU 110 HA GLU 110 9.860 -10.774 17.219 890 HB2 GLU 110 1HB GLU 110 10.550 -9.615 14.958 891 HB3 GLU 110 2HB GLU 110 8.836 -9.656 14.595 892 HG2 GLU 110 1HG GLU 110 8.277 -8.223 16.398 893 HG3 GLU 110 2HG GLU 110 9.749 -8.586 17.278 894 H ASN 111 H ASN 111 8.069 -11.172 18.438 895 HA ASN 111 HA ASN 111 5.715 -12.084 16.989 896 HB2 ASN 111 1HB ASN 111 7.065 -13.162 19.243 897 HB3 ASN 111 2HB ASN 111 5.630 -12.416 19.917 898 HD21 ASN 111 1HD2 ASN 111 6.857 -15.181 18.689 899 HD22 ASN 111 2HD2 ASN 111 5.425 -15.984 18.137 900 H SER 112 H SER 112 3.695 -11.001 17.411 901 HA SER 112 HA SER 112 4.027 -8.471 18.775 902 HB2 SER 112 1HB SER 112 1.810 -7.927 17.675 903 HB3 SER 112 2HB SER 112 3.115 -8.265 16.556 904 HG SER 112 HG SER 112 0.726 -9.468 16.675 905 H LYS 113 H LYS 113 1.843 -7.713 19.943 906 HA LYS 113 HA LYS 113 1.375 -9.669 21.981 907 HB2 LYS 113 1HB LYS 113 0.432 -6.824 21.553 908 HB3 LYS 113 2HB LYS 113 -0.072 -7.800 22.918 909 HG2 LYS 113 1HG LYS 113 2.645 -8.201 23.018 910 HG3 LYS 113 2HG LYS 113 2.598 -6.589 22.332 911 HD2 LYS 113 1HD LYS 113 2.407 -5.884 24.497 912 HD3 LYS 113 2HD LYS 113 0.722 -6.341 24.340 913 HE2 LYS 113 1HE LYS 113 0.955 -8.169 25.708 914 HE3 LYS 113 2HE LYS 113 2.489 -8.631 24.996 915 HZ1 LYS 113 1HZ LYS 113 2.433 -7.755 27.375 916 HZ2 LYS 113 2HZ LYS 113 3.625 -7.231 26.388 917 HZ3 LYS 113 3HZ LYS 113 2.342 -6.270 26.701 918 H LEU 114 H LEU 114 -1.122 -9.732 22.761 919 HA LEU 114 HA LEU 114 -2.673 -10.392 20.353 920 HB2 LEU 114 1HB LEU 114 -2.487 -11.888 22.969 921 HB3 LEU 114 2HB LEU 114 -3.707 -12.194 21.749 922 HG LEU 114 HG LEU 114 -1.621 -12.517 20.165 923 HD11 LEU 114 1HD1 LEU 114 0.272 -13.580 21.389 924 HD12 LEU 114 2HD1 LEU 114 0.106 -11.833 21.685 925 HD13 LEU 114 3HD1 LEU 114 -0.442 -12.999 22.913 926 HD21 LEU 114 1HD2 LEU 114 -1.704 -14.915 21.757 927 HD22 LEU 114 2HD2 LEU 114 -3.337 -14.221 21.608 928 HD23 LEU 114 3HD2 LEU 114 -2.392 -14.596 20.147 929 H SER 115 H SER 115 -4.118 -8.753 20.140 930 HA SER 115 HA SER 115 -5.868 -8.332 22.376 931 HB2 SER 115 1HB SER 115 -3.816 -6.606 22.283 932 HB3 SER 115 2HB SER 115 -4.813 -5.830 21.069 933 HG SER 115 HG SER 115 -6.598 -6.048 22.790 934 H ASP 116 H ASP 116 -7.356 -9.435 20.907 935 HA ASP 116 HA ASP 116 -8.078 -7.767 18.627 936 HB2 ASP 116 1HB ASP 116 -8.390 -10.766 19.094 937 HB3 ASP 116 2HB ASP 116 -9.165 -9.928 17.764 938 H LEU 117 H LEU 117 -9.593 -6.458 19.868 939 HA LEU 117 HA LEU 117 -11.830 -7.972 21.023 940 HB2 LEU 117 1HB LEU 117 -11.105 -6.825 22.820 941 HB3 LEU 117 2HB LEU 117 -10.348 -5.564 21.868 942 HG LEU 117 HG LEU 117 -12.739 -4.742 21.369 943 HD11 LEU 117 1HD1 LEU 117 -14.532 -5.601 22.409 944 HD12 LEU 117 2HD1 LEU 117 -13.512 -7.048 22.591 945 HD13 LEU 117 3HD1 LEU 117 -13.651 -5.883 23.930 946 HD21 LEU 117 1HD2 LEU 117 -12.190 -4.390 24.271 947 HD22 LEU 117 2HD2 LEU 117 -10.897 -3.941 23.134 948 HD23 LEU 117 3HD2 LEU 117 -12.502 -3.184 23.000 949 H ASP 118 H ASP 118 -13.704 -7.930 19.910 950 HA ASP 118 HA ASP 118 -14.346 -5.527 18.470 951 HB2 ASP 118 1HB ASP 118 -13.090 -7.219 16.932 952 HB3 ASP 118 2HB ASP 118 -14.521 -8.223 17.066 953 H SER 119 H SER 119 -16.701 -5.409 18.051 954 HA SER 119 HA SER 119 -18.358 -7.601 18.592 955 HB2 SER 119 1HB SER 119 -17.647 -6.993 20.941 956 HB3 SER 119 2HB SER 119 -18.363 -5.409 20.714 957 HG SER 119 HG SER 119 -20.436 -6.416 20.408 958 H GLU 120 H GLU 120 -20.014 -7.224 17.168 959 HA GLU 120 HA GLU 120 -20.971 -4.483 16.993 960 HB2 GLU 120 1HB GLU 120 -21.086 -4.584 14.574 961 HB3 GLU 120 2HB GLU 120 -19.452 -4.996 15.053 962 HG2 GLU 120 1HG GLU 120 -20.565 -7.495 15.061 963 HG3 GLU 120 2HG GLU 120 -21.576 -6.734 13.849 964 H THR 121 H THR 121 -22.785 -5.487 14.709 965 HA THR 121 HA THR 121 -24.363 -7.588 15.747 966 HB THR 121 HB THR 121 -24.853 -5.808 17.466 967 HG1 THR 121 1HG THR 121 -27.180 -6.071 17.075 968 HG21 THR 121 1HG2 THR 121 -24.834 -4.030 15.307 969 HG22 THR 121 2HG2 THR 121 -26.573 -4.296 15.581 970 HG23 THR 121 3HG2 THR 121 -25.547 -3.689 16.902 971 H ARG 122 H ARG 122 -26.488 -7.763 14.508 972 HA ARG 122 HA ARG 122 -26.120 -6.496 11.915 973 HB2 ARG 122 1HB ARG 122 -25.814 -9.241 12.462 974 HB3 ARG 122 2HB ARG 122 -27.439 -9.141 11.815 975 HG2 ARG 122 1HG ARG 122 -25.632 -7.470 10.240 976 HG3 ARG 122 2HG ARG 122 -24.995 -9.099 10.355 977 HD2 ARG 122 1HD ARG 122 -26.615 -9.940 8.983 978 HD3 ARG 122 2HD ARG 122 -27.894 -9.125 9.860 979 HE ARG 122 HE ARG 122 -27.909 -7.517 8.180 980 HH11 ARG 122 2HH2 ARG 122 -24.689 -8.930 8.328 981 HH12 ARG 122 1HH2 ARG 122 -24.082 -8.002 6.998 982 HH21 ARG 122 2HH1 ARG 122 -27.107 -6.292 6.425 983 HH22 ARG 122 1HH1 ARG 122 -25.466 -6.491 5.908 984 H SER 123 H SER 123 -28.299 -6.805 10.547 985 HA SER 123 HA SER 123 -30.626 -7.002 12.185 986 HB2 SER 123 1HB SER 123 -29.455 -4.413 11.649 987 HB3 SER 123 2HB SER 123 -30.975 -4.520 10.782 988 HG SER 123 HG SER 123 -30.584 -4.103 13.431 989 H MET 124 H MET 124 -32.665 -6.488 10.681 990 HA MET 124 HA MET 124 -32.241 -6.613 7.914 991 HB2 MET 124 1HB MET 124 -31.737 -9.040 8.961 992 HB3 MET 124 2HB MET 124 -33.484 -9.160 9.013 993 HG2 MET 124 1HG MET 124 -33.685 -8.913 6.624 994 HG3 MET 124 2HG MET 124 -32.039 -8.335 6.463 995 HE1 MET 124 1HE MET 124 -34.463 -11.021 6.947 996 HE2 MET 124 2HE MET 124 -33.595 -12.561 6.745 997 HE3 MET 124 3HE MET 124 -33.597 -11.741 8.325 998 H VAL 125 H VAL 125 -34.166 -6.139 6.789 999 HA VAL 125 HA VAL 125 -36.477 -5.718 8.538 1000 HB VAL 125 HB VAL 125 -35.290 -3.856 7.199 1001 HG11 VAL 125 1HG1 VAL 125 -35.262 -3.933 4.969 1002 HG12 VAL 125 2HG1 VAL 125 -35.911 -5.587 5.065 1003 HG13 VAL 125 3HG1 VAL 125 -37.020 -4.204 4.906 1004 HG21 VAL 125 1HG2 VAL 125 -37.878 -3.214 6.427 1005 HG22 VAL 125 2HG2 VAL 125 -38.116 -4.375 7.755 1006 HG23 VAL 125 3HG2 VAL 125 -37.146 -2.906 8.021 1007 H SER 126 H SER 126 -38.132 -5.429 5.980 1008 HA SER 126 HA SER 126 -38.113 -7.722 4.521 1009 HB2 SER 126 1HB SER 126 -39.388 -8.057 7.200 1010 HB3 SER 126 2HB SER 126 -40.321 -8.663 5.846 1011 HG SER 126 HG SER 126 -37.872 -9.533 5.353 1012 H GLY 127 H GLY 127 -40.162 -7.954 3.215 1013 HA2 GLY 127 1HA GLY 127 -42.102 -5.793 3.565 1014 HA3 GLY 127 2HA GLY 127 -41.155 -5.798 2.091 1015 HA PRO 128 HA PRO 128 -44.509 -9.146 2.132 1016 HB2 PRO 128 1HB PRO 128 -46.957 -7.940 2.277 1017 HB3 PRO 128 2HB PRO 128 -46.181 -8.700 3.652 1018 HG2 PRO 128 1HG PRO 128 -46.478 -5.821 3.050 1019 HG3 PRO 128 2HG PRO 128 -46.101 -6.590 4.579 1020 HD2 PRO 128 1HD PRO 128 -44.264 -5.241 2.837 1021 HD3 PRO 128 2HD PRO 128 -43.869 -6.109 4.307 1022 H SER 129 H SER 129 -46.384 -9.552 0.480 1023 HA SER 129 HA SER 129 -46.084 -7.678 -1.689 1024 HB2 SER 129 1HB SER 129 -45.603 -9.548 -3.312 1025 HB3 SER 129 2HB SER 129 -44.291 -9.220 -2.198 1026 HG SER 129 HG SER 129 -44.516 -11.439 -2.168 1027 H SER 130 H SER 130 -47.595 -8.537 -3.627 1028 HA SER 130 HA SER 130 -49.836 -9.992 -2.514 1029 HB2 SER 130 1HB SER 130 -49.829 -7.128 -3.351 1030 HB3 SER 130 2HB SER 130 -51.170 -8.077 -3.961 1031 HG SER 130 HG SER 130 -51.875 -8.513 -1.887 1032 H GLY 131 H GLY 131 -51.525 -10.384 -4.431 1033 HA2 GLY 131 1HA GLY 131 -51.872 -11.454 -6.379 1034 HA3 GLY 131 2HA GLY 131 -50.880 -10.198 -7.093 Start of MODEL 14 1 H1 GLY 1 H GLY 1 28.495 -8.249 -7.036 2 HA2 GLY 1 1HA GLY 1 28.759 -5.979 -5.798 3 HA3 GLY 1 2HA GLY 1 27.164 -6.519 -6.285 4 H SER 2 H SER 2 25.721 -7.506 -4.710 5 HA SER 2 HA SER 2 26.623 -7.636 -2.008 6 HB2 SER 2 1HB SER 2 24.815 -6.052 -1.189 7 HB3 SER 2 2HB SER 2 26.154 -5.278 -2.012 8 HG SER 2 HG SER 2 24.364 -5.884 -3.925 9 H SER 3 H SER 3 24.585 -8.241 -0.545 10 HA SER 3 HA SER 3 22.269 -9.139 -1.684 11 HB2 SER 3 1HB SER 3 24.378 -10.824 -2.455 12 HB3 SER 3 2HB SER 3 23.645 -11.679 -1.113 13 HG SER 3 HG SER 3 22.494 -10.929 -3.629 14 H GLY 4 H GLY 4 21.085 -10.731 -0.108 15 HA2 GLY 4 1HA GLY 4 21.877 -11.571 2.314 16 HA3 GLY 4 2HA GLY 4 21.677 -9.852 2.590 17 H SER 5 H SER 5 20.029 -11.358 4.074 18 HA SER 5 HA SER 5 17.544 -11.508 2.571 19 HB2 SER 5 1HB SER 5 18.105 -12.633 5.346 20 HB3 SER 5 2HB SER 5 16.730 -12.993 4.320 21 HG SER 5 HG SER 5 19.353 -14.009 4.238 22 H SER 6 H SER 6 15.542 -11.052 4.222 23 HA SER 6 HA SER 6 16.172 -8.932 6.041 24 HB2 SER 6 1HB SER 6 15.149 -8.417 3.338 25 HB3 SER 6 2HB SER 6 14.053 -7.806 4.561 26 HG SER 6 HG SER 6 16.174 -6.559 3.701 27 H GLY 7 H GLY 7 13.935 -8.088 7.030 28 HA2 GLY 7 1HA GLY 7 12.427 -10.486 7.710 29 HA3 GLY 7 2HA GLY 7 12.381 -8.928 8.510 30 HA PRO 8 HA PRO 8 8.601 -8.812 6.183 31 HB2 PRO 8 1HB PRO 8 7.234 -7.182 7.897 32 HB3 PRO 8 2HB PRO 8 7.242 -8.928 8.038 33 HG2 PRO 8 1HG PRO 8 8.674 -6.930 9.680 34 HG3 PRO 8 2HG PRO 8 8.327 -8.608 10.048 35 HD2 PRO 8 1HD PRO 8 10.843 -7.521 9.203 36 HD3 PRO 8 2HD PRO 8 10.465 -9.213 9.459 37 H ASN 9 H ASN 9 6.995 -6.538 6.083 38 HA ASN 9 HA ASN 9 8.758 -4.383 5.488 39 HB2 ASN 9 1HB ASN 9 7.634 -6.143 3.346 40 HB3 ASN 9 2HB ASN 9 7.390 -4.429 3.074 41 HD21 ASN 9 1HD2 ASN 9 9.680 -7.015 3.396 42 HD22 ASN 9 2HD2 ASN 9 11.091 -6.183 2.832 43 H TYR 10 H TYR 10 5.504 -5.931 5.076 44 HA TYR 10 HA TYR 10 4.296 -3.417 5.991 45 HB2 TYR 10 1HB TYR 10 2.487 -3.931 4.279 46 HB3 TYR 10 2HB TYR 10 4.040 -3.668 3.512 47 HD1 TYR 10 1HD TYR 10 5.451 -5.762 2.925 48 HD2 TYR 10 2HD TYR 10 1.284 -5.915 3.886 49 HE1 TYR 10 1HE TYR 10 5.262 -8.025 1.782 50 HE2 TYR 10 2HE TYR 10 1.110 -8.177 2.739 51 HH TYR 10 HH TYR 10 2.485 -9.325 0.808 52 H ARG 11 H ARG 11 2.042 -3.752 6.859 53 HA ARG 11 HA ARG 11 1.896 -6.415 8.028 54 HB2 ARG 11 1HB ARG 11 0.755 -5.337 9.975 55 HB3 ARG 11 2HB ARG 11 2.360 -4.678 9.727 56 HG2 ARG 11 1HG ARG 11 0.418 -3.178 8.144 57 HG3 ARG 11 2HG ARG 11 -0.104 -3.248 9.816 58 HD2 ARG 11 1HD ARG 11 2.750 -2.738 9.770 59 HD3 ARG 11 2HD ARG 11 1.969 -1.611 8.680 60 HE ARG 11 HE ARG 11 1.024 -0.539 10.526 61 HH11 ARG 11 2HH2 ARG 11 1.970 -3.794 11.471 62 HH12 ARG 11 1HH2 ARG 11 1.589 -3.557 13.143 63 HH21 ARG 11 2HH1 ARG 11 0.520 -0.226 12.733 64 HH22 ARG 11 1HH1 ARG 11 0.758 -1.514 13.866 65 H TRP 12 H TRP 12 -0.274 -7.347 8.288 66 HA TRP 12 HA TRP 12 -2.482 -5.903 7.106 67 HB2 TRP 12 1HB TRP 12 -2.955 -7.388 5.363 68 HB3 TRP 12 2HB TRP 12 -1.258 -6.981 5.196 69 HD1 TRP 12 HD TRP 12 0.527 -8.994 5.652 70 HE1 TRP 12 1HE TRP 12 0.370 -11.627 5.731 71 HE3 TRP 12 3HE TRP 12 -4.535 -9.202 6.077 72 HZ2 TRP 12 2HZ TRP 12 -1.805 -13.460 5.958 73 HZ3 TRP 12 3HZ TRP 12 -5.597 -11.453 6.222 74 HH2 TRP 12 HH TRP 12 -4.317 -13.535 6.168 75 H THR 13 H THR 13 -4.422 -6.572 8.059 76 HA THR 13 HA THR 13 -4.353 -9.050 9.619 77 HB THR 13 HB THR 13 -5.069 -7.909 11.620 78 HG1 THR 13 1HG THR 13 -6.476 -6.299 10.964 79 HG21 THR 13 1HG2 THR 13 -3.311 -6.364 12.111 80 HG22 THR 13 2HG2 THR 13 -2.594 -7.424 10.874 81 HG23 THR 13 3HG2 THR 13 -3.208 -5.816 10.421 82 H GLN 14 H GLN 14 -6.892 -8.766 10.803 83 HA GLN 14 HA GLN 14 -8.843 -7.898 9.082 84 HB2 GLN 14 1HB GLN 14 -9.621 -9.974 8.011 85 HB3 GLN 14 2HB GLN 14 -7.987 -9.601 7.501 86 HG2 GLN 14 1HG GLN 14 -8.121 -11.289 9.944 87 HG3 GLN 14 2HG GLN 14 -8.821 -12.044 8.526 88 HE21 GLN 14 1HE2 GLN 14 -7.393 -13.428 7.792 89 HE22 GLN 14 2HE2 GLN 14 -5.723 -13.121 7.448 90 H THR 15 H THR 15 -11.000 -9.474 9.543 91 HA THR 15 HA THR 15 -10.881 -10.403 12.304 92 HB THR 15 HB THR 15 -11.441 -7.843 12.113 93 HG1 THR 15 1HG THR 15 -13.221 -8.357 13.729 94 HG21 THR 15 1HG2 THR 15 -13.361 -7.227 11.037 95 HG22 THR 15 2HG2 THR 15 -13.450 -8.874 10.368 96 HG23 THR 15 3HG2 THR 15 -14.284 -8.486 11.892 97 H LEU 16 H LEU 16 -11.062 -11.764 9.732 98 HA LEU 16 HA LEU 16 -12.203 -13.435 8.849 99 HB2 LEU 16 1HB LEU 16 -13.670 -13.198 11.460 100 HB3 LEU 16 2HB LEU 16 -14.181 -14.346 10.238 101 HG LEU 16 HG LEU 16 -11.298 -14.421 10.937 102 HD11 LEU 16 1HD1 LEU 16 -11.508 -15.442 13.044 103 HD12 LEU 16 2HD1 LEU 16 -12.542 -13.995 13.122 104 HD13 LEU 16 3HD1 LEU 16 -13.274 -15.601 12.890 105 HD21 LEU 16 1HD2 LEU 16 -12.499 -15.965 9.336 106 HD22 LEU 16 2HD2 LEU 16 -11.542 -16.755 10.612 107 HD23 LEU 16 3HD2 LEU 16 -13.314 -16.667 10.755 108 H ALA 17 H ALA 17 -13.063 -10.362 8.838 109 HA ALA 17 HA ALA 17 -15.350 -10.884 7.106 110 HB1 ALA 17 1HB ALA 17 -16.835 -9.624 8.290 111 HB2 ALA 17 2HB ALA 17 -15.790 -10.053 9.666 112 HB3 ALA 17 3HB ALA 17 -15.584 -8.486 8.847 113 H GLU 18 H GLU 18 -13.461 -8.111 8.520 114 HA GLU 18 HA GLU 18 -13.155 -7.163 5.790 115 HB2 GLU 18 1HB GLU 18 -12.732 -4.967 6.751 116 HB3 GLU 18 2HB GLU 18 -14.188 -5.622 7.474 117 HG2 GLU 18 1HG GLU 18 -13.240 -5.235 9.500 118 HG3 GLU 18 2HG GLU 18 -12.155 -6.569 9.164 119 H LEU 19 H LEU 19 -10.990 -6.134 5.230 120 HA LEU 19 HA LEU 19 -8.835 -7.588 6.600 121 HB2 LEU 19 1HB LEU 19 -9.556 -7.356 3.753 122 HB3 LEU 19 2HB LEU 19 -7.859 -7.095 4.105 123 HG LEU 19 HG LEU 19 -9.183 -9.500 5.294 124 HD11 LEU 19 1HD1 LEU 19 -10.019 -9.565 3.023 125 HD12 LEU 19 2HD1 LEU 19 -8.383 -9.289 2.379 126 HD13 LEU 19 3HD1 LEU 19 -8.757 -10.802 3.239 127 HD21 LEU 19 1HD2 LEU 19 -6.771 -8.748 5.695 128 HD22 LEU 19 2HD2 LEU 19 -7.039 -10.446 5.231 129 HD23 LEU 19 3HD2 LEU 19 -6.457 -9.275 4.024 130 H ASP 20 H ASP 20 -7.130 -6.395 7.353 131 HA ASP 20 HA ASP 20 -7.263 -3.558 6.698 132 HB2 ASP 20 1HB ASP 20 -6.946 -5.043 9.215 133 HB3 ASP 20 2HB ASP 20 -5.635 -3.902 8.989 134 H LEU 21 H LEU 21 -5.392 -2.663 5.754 135 HA LEU 21 HA LEU 21 -2.931 -4.238 5.935 136 HB2 LEU 21 1HB LEU 21 -3.725 -4.900 3.849 137 HB3 LEU 21 2HB LEU 21 -4.353 -3.310 3.463 138 HG LEU 21 HG LEU 21 -2.342 -3.964 2.155 139 HD11 LEU 21 1HD1 LEU 21 -1.323 -1.639 3.644 140 HD12 LEU 21 2HD1 LEU 21 -1.764 -1.811 1.928 141 HD13 LEU 21 3HD1 LEU 21 -3.028 -1.512 3.146 142 HD21 LEU 21 1HD2 LEU 21 -1.345 -4.797 4.628 143 HD22 LEU 21 2HD2 LEU 21 -0.477 -4.746 3.075 144 HD23 LEU 21 3HD2 LEU 21 -0.374 -3.369 4.198 145 H ALA 22 H ALA 22 -1.012 -3.005 5.987 146 HA ALA 22 HA ALA 22 -1.304 -0.119 5.774 147 HB1 ALA 22 1HB ALA 22 0.063 -1.224 8.218 148 HB2 ALA 22 2HB ALA 22 -0.703 0.362 7.966 149 HB3 ALA 22 3HB ALA 22 -1.711 -1.085 8.206 150 H VAL 23 H VAL 23 0.378 0.652 4.597 151 HA VAL 23 HA VAL 23 2.867 -0.906 4.680 152 HB VAL 23 HB VAL 23 1.737 0.467 2.240 153 HG11 VAL 23 1HG1 VAL 23 3.814 -1.726 2.336 154 HG12 VAL 23 2HG1 VAL 23 3.458 -0.575 1.025 155 HG13 VAL 23 3HG1 VAL 23 4.254 -0.010 2.514 156 HG21 VAL 23 1HG2 VAL 23 0.294 -1.212 1.979 157 HG22 VAL 23 2HG2 VAL 23 1.671 -2.335 1.875 158 HG23 VAL 23 3HG2 VAL 23 0.899 -2.016 3.447 159 HA PRO 24 HA PRO 24 4.048 3.174 5.884 160 HB2 PRO 24 1HB PRO 24 6.318 2.452 7.224 161 HB3 PRO 24 2HB PRO 24 4.741 2.530 7.983 162 HG2 PRO 24 1HG PRO 24 6.284 0.148 7.157 163 HG3 PRO 24 2HG PRO 24 4.938 0.251 8.275 164 HD2 PRO 24 1HD PRO 24 4.854 -0.707 5.573 165 HD3 PRO 24 2HD PRO 24 3.490 -0.495 6.653 166 H PHE 25 H PHE 25 5.799 4.691 5.439 167 HA PHE 25 HA PHE 25 7.648 3.628 3.457 168 HB2 PHE 25 1HB PHE 25 5.727 6.015 3.164 169 HB3 PHE 25 2HB PHE 25 7.026 5.687 2.035 170 HD1 PHE 25 1HD PHE 25 6.889 2.837 1.580 171 HD2 PHE 25 2HD PHE 25 3.722 5.613 2.099 172 HE1 PHE 25 1HE PHE 25 5.364 1.344 0.260 173 HE2 PHE 25 2HE PHE 25 2.197 4.120 0.778 174 HZ PHE 25 HZ PHE 25 3.036 2.003 -0.126 175 H ARG 26 H ARG 26 9.580 4.895 3.212 176 HA ARG 26 HA ARG 26 10.028 6.541 5.527 177 HB2 ARG 26 1HB ARG 26 11.649 4.831 3.782 178 HB3 ARG 26 2HB ARG 26 12.403 6.403 3.960 179 HG2 ARG 26 1HG ARG 26 11.389 5.479 6.541 180 HG3 ARG 26 2HG ARG 26 12.428 4.259 5.831 181 HD2 ARG 26 1HD ARG 26 13.218 7.201 6.075 182 HD3 ARG 26 2HD ARG 26 13.637 5.987 7.268 183 HE ARG 26 HE ARG 26 14.425 5.076 4.651 184 HH11 ARG 26 2HH2 ARG 26 15.336 7.388 7.143 185 HH12 ARG 26 1HH2 ARG 26 17.007 7.414 6.687 186 HH21 ARG 26 2HH1 ARG 26 16.630 5.110 4.050 187 HH22 ARG 26 1HH1 ARG 26 17.748 6.109 4.916 188 H VAL 27 H VAL 27 8.877 8.486 4.907 189 HA VAL 27 HA VAL 27 10.190 9.939 2.717 190 HB VAL 27 HB VAL 27 7.858 11.104 2.631 191 HG11 VAL 27 1HG1 VAL 27 7.084 9.106 1.086 192 HG12 VAL 27 2HG1 VAL 27 8.499 10.098 0.658 193 HG13 VAL 27 3HG1 VAL 27 8.726 8.502 1.414 194 HG21 VAL 27 1HG2 VAL 27 7.065 9.754 4.656 195 HG22 VAL 27 2HG2 VAL 27 5.970 9.828 3.255 196 HG23 VAL 27 3HG2 VAL 27 6.946 8.368 3.546 197 H SER 28 H SER 28 10.135 12.345 3.012 198 HA SER 28 HA SER 28 10.441 12.895 5.846 199 HB2 SER 28 1HB SER 28 11.837 13.730 3.401 200 HB3 SER 28 2HB SER 28 11.389 15.110 4.383 201 HG SER 28 HG SER 28 12.517 12.902 5.766 202 H PHE 29 H PHE 29 7.962 12.915 3.801 203 HA PHE 29 HA PHE 29 6.870 15.368 4.933 204 HB2 PHE 29 1HB PHE 29 5.809 15.658 2.551 205 HB3 PHE 29 2HB PHE 29 7.505 16.070 2.704 206 HD1 PHE 29 2HD PHE 29 5.505 12.971 2.067 207 HD2 PHE 29 1HD PHE 29 8.834 15.365 0.971 208 HE1 PHE 29 2HE PHE 29 6.064 11.354 0.230 209 HE2 PHE 29 1HE PHE 29 9.393 13.747 -0.865 210 HZ PHE 29 HZ PHE 29 8.001 11.761 -1.213 211 H ARG 30 H ARG 30 4.390 15.441 4.509 212 HA ARG 30 HA ARG 30 3.413 12.912 5.335 213 HB2 ARG 30 1HB ARG 30 2.446 15.711 5.227 214 HB3 ARG 30 2HB ARG 30 1.182 14.553 4.866 215 HG2 ARG 30 1HG ARG 30 1.048 13.893 7.038 216 HG3 ARG 30 2HG ARG 30 2.777 13.622 7.132 217 HD2 ARG 30 1HD ARG 30 3.201 15.967 7.653 218 HD3 ARG 30 2HD ARG 30 1.546 16.411 7.287 219 HE ARG 30 HE ARG 30 1.310 14.475 9.286 220 HH11 ARG 30 2HH2 ARG 30 2.951 17.573 8.984 221 HH12 ARG 30 1HH2 ARG 30 2.847 17.938 10.674 222 HH21 ARG 30 2HH1 ARG 30 1.172 14.956 11.516 223 HH22 ARG 30 1HH1 ARG 30 1.827 16.439 12.124 224 H LEU 31 H LEU 31 2.954 11.311 3.853 225 HA LEU 31 HA LEU 31 2.716 11.783 1.119 226 HB2 LEU 31 1HB LEU 31 2.153 9.479 2.945 227 HB3 LEU 31 2HB LEU 31 1.644 9.396 1.270 228 HG LEU 31 HG LEU 31 4.491 10.090 1.965 229 HD11 LEU 31 1HD1 LEU 31 3.197 7.632 2.643 230 HD12 LEU 31 2HD1 LEU 31 4.346 7.331 1.317 231 HD13 LEU 31 3HD1 LEU 31 4.907 8.091 2.825 232 HD21 LEU 31 1HD2 LEU 31 3.704 10.426 -0.347 233 HD22 LEU 31 2HD2 LEU 31 4.972 9.182 -0.231 234 HD23 LEU 31 3HD2 LEU 31 3.270 8.702 -0.436 235 H LYS 32 H LYS 32 1.049 12.383 -0.184 236 HA LYS 32 HA LYS 32 -1.554 12.666 1.141 237 HB2 LYS 32 1HB LYS 32 -0.098 14.294 -0.916 238 HB3 LYS 32 2HB LYS 32 -1.850 14.283 -0.930 239 HG2 LYS 32 1HG LYS 32 -1.148 14.586 1.804 240 HG3 LYS 32 2HG LYS 32 -0.026 15.615 0.936 241 HD2 LYS 32 1HD LYS 32 -1.716 17.149 0.940 242 HD3 LYS 32 2HD LYS 32 -2.389 16.203 -0.372 243 HE2 LYS 32 1HE LYS 32 -4.207 16.292 1.111 244 HE3 LYS 32 2HE LYS 32 -3.485 14.755 1.545 245 HZ1 LYS 32 1HZ LYS 32 -3.415 17.270 2.989 246 HZ2 LYS 32 2HZ LYS 32 -3.657 15.756 3.553 247 HZ3 LYS 32 3HZ LYS 32 -2.150 16.251 3.165 248 H GLY 33 H GLY 33 -3.383 12.685 -0.734 249 HA2 GLY 33 1HA GLY 33 -3.226 10.015 -1.870 250 HA3 GLY 33 2HA GLY 33 -4.628 11.062 -1.776 251 H LYS 34 H LYS 34 -1.594 12.443 -2.943 252 HA LYS 34 HA LYS 34 -2.652 12.281 -5.680 253 HB2 LYS 34 1HB LYS 34 -2.138 14.517 -6.077 254 HB3 LYS 34 2HB LYS 34 -2.835 14.541 -4.470 255 HG2 LYS 34 1HG LYS 34 -0.124 14.084 -3.953 256 HG3 LYS 34 2HG LYS 34 -0.073 15.166 -5.330 257 HD2 LYS 34 1HD LYS 34 -2.038 15.919 -3.211 258 HD3 LYS 34 2HD LYS 34 -0.358 15.994 -2.719 259 HE2 LYS 34 1HE LYS 34 -0.082 17.938 -3.853 260 HE3 LYS 34 2HE LYS 34 -0.540 17.155 -5.353 261 HZ1 LYS 34 1HZ LYS 34 -2.292 18.484 -3.423 262 HZ2 LYS 34 2HZ LYS 34 -2.094 18.820 -5.009 263 HZ3 LYS 34 3HZ LYS 34 -2.888 17.467 -4.554 264 H ASP 35 H ASP 35 -0.386 11.072 -3.623 265 HA ASP 35 HA ASP 35 1.446 10.724 -5.837 266 HB2 ASP 35 1HB ASP 35 2.175 12.543 -4.064 267 HB3 ASP 35 2HB ASP 35 2.498 11.171 -3.023 268 H VAL 36 H VAL 36 -0.595 8.961 -4.842 269 HA VAL 36 HA VAL 36 1.073 6.879 -3.626 270 HB VAL 36 HB VAL 36 -1.813 7.461 -2.934 271 HG11 VAL 36 1HG1 VAL 36 0.174 5.369 -2.053 272 HG12 VAL 36 2HG1 VAL 36 -1.174 5.859 -0.999 273 HG13 VAL 36 3HG1 VAL 36 -1.506 5.167 -2.605 274 HG21 VAL 36 1HG2 VAL 36 0.136 9.076 -2.138 275 HG22 VAL 36 2HG2 VAL 36 -1.172 8.584 -1.035 276 HG23 VAL 36 3HG2 VAL 36 0.412 7.776 -0.953 277 H VAL 37 H VAL 37 -0.130 4.648 -3.917 278 HA VAL 37 HA VAL 37 -1.680 4.606 -6.374 279 HB VAL 37 HB VAL 37 1.056 3.401 -6.017 280 HG11 VAL 37 1HG1 VAL 37 -0.004 2.532 -8.491 281 HG12 VAL 37 2HG1 VAL 37 0.439 1.540 -7.081 282 HG13 VAL 37 3HG1 VAL 37 -1.226 2.143 -7.256 283 HG21 VAL 37 1HG2 VAL 37 -0.244 5.352 -7.881 284 HG22 VAL 37 2HG2 VAL 37 1.364 5.393 -7.117 285 HG23 VAL 37 3HG2 VAL 37 1.066 4.321 -8.506 286 H VAL 38 H VAL 38 -3.459 3.466 -5.819 287 HA VAL 38 HA VAL 38 -3.043 0.967 -4.381 288 HB VAL 38 HB VAL 38 -4.757 3.276 -3.490 289 HG11 VAL 38 1HG1 VAL 38 -6.390 1.666 -3.307 290 HG12 VAL 38 2HG1 VAL 38 -5.220 0.340 -3.101 291 HG13 VAL 38 3HG1 VAL 38 -5.558 1.447 -1.749 292 HG21 VAL 38 1HG2 VAL 38 -3.717 2.386 -1.241 293 HG22 VAL 38 2HG2 VAL 38 -2.522 1.640 -2.328 294 HG23 VAL 38 3HG2 VAL 38 -2.757 3.404 -2.340 295 H ASP 39 H ASP 39 -3.696 -0.433 -5.953 296 HA ASP 39 HA ASP 39 -6.057 0.328 -7.458 297 HB2 ASP 39 1HB ASP 39 -3.619 -0.800 -8.228 298 HB3 ASP 39 2HB ASP 39 -4.674 -2.197 -8.172 299 H ILE 40 H ILE 40 -7.850 -0.355 -6.211 300 HA ILE 40 HA ILE 40 -7.694 -2.993 -4.972 301 HB ILE 40 HB ILE 40 -9.561 -0.652 -4.619 302 HG12 ILE 40 1HG1 ILE 40 -7.596 -1.961 -2.715 303 HG13 ILE 40 2HG1 ILE 40 -7.307 -0.474 -3.597 304 HG21 ILE 40 1HG2 ILE 40 -9.698 -3.234 -3.060 305 HG22 ILE 40 2HG2 ILE 40 -10.852 -1.879 -3.081 306 HG23 ILE 40 3HG2 ILE 40 -10.691 -2.933 -4.506 307 HD11 ILE 40 1HD1 ILE 40 -9.421 -0.983 -1.464 308 HD12 ILE 40 2HD1 ILE 40 -8.076 0.183 -1.416 309 HD13 ILE 40 3HD1 ILE 40 -9.448 0.452 -2.517 310 H GLN 41 H GLN 41 -8.492 -4.722 -6.028 311 HA GLN 41 HA GLN 41 -10.620 -4.170 -7.946 312 HB2 GLN 41 1HB GLN 41 -8.168 -5.920 -8.173 313 HB3 GLN 41 2HB GLN 41 -9.616 -6.374 -9.049 314 HG2 GLN 41 1HG GLN 41 -8.549 -3.536 -9.225 315 HG3 GLN 41 2HG GLN 41 -7.854 -4.804 -10.216 316 HE21 GLN 41 1HE2 GLN 41 -8.919 -5.591 -11.941 317 HE22 GLN 41 2HE2 GLN 41 -10.448 -5.016 -12.519 318 H ARG 42 H ARG 42 -11.441 -6.745 -8.561 319 HA ARG 42 HA ARG 42 -12.977 -7.357 -6.358 320 HB2 ARG 42 1HB ARG 42 -13.618 -7.935 -8.684 321 HB3 ARG 42 2HB ARG 42 -12.276 -9.054 -8.806 322 HG2 ARG 42 1HG ARG 42 -13.561 -10.699 -7.928 323 HG3 ARG 42 2HG ARG 42 -13.729 -9.782 -6.445 324 HD2 ARG 42 1HD ARG 42 -15.924 -9.447 -6.915 325 HD3 ARG 42 2HD ARG 42 -15.472 -8.538 -8.343 326 HE ARG 42 HE ARG 42 -16.461 -11.272 -8.277 327 HH11 ARG 42 2HH2 ARG 42 -14.412 -9.055 -10.086 328 HH12 ARG 42 1HH2 ARG 42 -14.587 -9.910 -11.581 329 HH21 ARG 42 2HH1 ARG 42 -16.692 -12.401 -10.250 330 HH22 ARG 42 1HH1 ARG 42 -15.893 -11.827 -11.676 331 H ARG 43 H ARG 43 -10.395 -9.410 -7.923 332 HA ARG 43 HA ARG 43 -9.796 -10.375 -5.243 333 HB2 ARG 43 1HB ARG 43 -10.985 -11.964 -7.069 334 HB3 ARG 43 2HB ARG 43 -9.342 -12.149 -7.649 335 HG2 ARG 43 1HG ARG 43 -8.586 -12.967 -5.471 336 HG3 ARG 43 2HG ARG 43 -10.126 -12.577 -4.731 337 HD2 ARG 43 1HD ARG 43 -10.947 -14.612 -5.311 338 HD3 ARG 43 2HD ARG 43 -10.670 -14.264 -7.006 339 HE ARG 43 HE ARG 43 -8.251 -15.058 -5.530 340 HH11 ARG 43 2HH2 ARG 43 -10.985 -16.157 -7.454 341 HH12 ARG 43 1HH2 ARG 43 -10.223 -17.640 -7.923 342 HH21 ARG 43 2HH1 ARG 43 -7.245 -17.014 -6.149 343 HH22 ARG 43 1HH1 ARG 43 -8.081 -18.130 -7.176 344 H HIS 44 H HIS 44 -8.450 -8.166 -6.217 345 HA HIS 44 HA HIS 44 -5.796 -9.185 -6.415 346 HB2 HIS 44 1HB HIS 44 -6.999 -8.956 -8.831 347 HB3 HIS 44 2HB HIS 44 -6.385 -7.324 -8.655 348 HD1 HIS 44 1HD HIS 44 -3.695 -7.141 -8.203 349 HD2 HIS 44 2HD HIS 44 -5.128 -10.820 -9.620 350 HE1 HIS 44 1HE HIS 44 -1.666 -8.399 -9.105 351 H LEU 45 H LEU 45 -4.615 -7.905 -5.088 352 HA LEU 45 HA LEU 45 -5.595 -5.163 -4.710 353 HB2 LEU 45 1HB LEU 45 -5.807 -6.561 -2.738 354 HB3 LEU 45 2HB LEU 45 -4.112 -6.999 -2.825 355 HG LEU 45 HG LEU 45 -3.450 -4.698 -2.344 356 HD11 LEU 45 1HD1 LEU 45 -4.811 -3.031 -2.892 357 HD12 LEU 45 2HD1 LEU 45 -6.204 -4.129 -3.040 358 HD13 LEU 45 3HD1 LEU 45 -5.781 -3.436 -1.456 359 HD21 LEU 45 1HD2 LEU 45 -5.472 -5.183 -0.218 360 HD22 LEU 45 2HD2 LEU 45 -4.316 -6.493 -0.560 361 HD23 LEU 45 3HD2 LEU 45 -3.722 -4.879 -0.100 362 H ARG 46 H ARG 46 -4.049 -3.439 -4.622 363 HA ARG 46 HA ARG 46 -1.336 -4.098 -5.187 364 HB2 ARG 46 1HB ARG 46 -2.723 -4.009 -7.439 365 HB3 ARG 46 2HB ARG 46 -2.713 -2.274 -7.193 366 HG2 ARG 46 1HG ARG 46 -0.062 -2.810 -6.766 367 HG3 ARG 46 2HG ARG 46 -0.447 -4.110 -7.877 368 HD2 ARG 46 1HD ARG 46 -1.555 -1.467 -8.684 369 HD3 ARG 46 2HD ARG 46 0.196 -1.518 -8.633 370 HE ARG 46 HE ARG 46 -0.371 -3.829 -9.984 371 HH11 ARG 46 2HH2 ARG 46 -1.515 -0.528 -10.405 372 HH12 ARG 46 1HH2 ARG 46 -1.760 -0.695 -12.111 373 HH21 ARG 46 2HH1 ARG 46 -0.693 -4.050 -12.236 374 HH22 ARG 46 1HH1 ARG 46 -1.289 -2.711 -13.160 375 H VAL 47 H VAL 47 -0.172 -2.672 -3.933 376 HA VAL 47 HA VAL 47 -1.209 0.059 -3.703 377 HB VAL 47 HB VAL 47 -0.305 -1.772 -1.476 378 HG11 VAL 47 1HG1 VAL 47 -0.726 1.229 -1.486 379 HG12 VAL 47 2HG1 VAL 47 -0.741 0.246 -0.002 380 HG13 VAL 47 3HG1 VAL 47 0.728 0.321 -1.005 381 HG21 VAL 47 1HG2 VAL 47 -2.478 -1.673 -0.649 382 HG22 VAL 47 2HG2 VAL 47 -2.866 -0.189 -1.552 383 HG23 VAL 47 3HG2 VAL 47 -2.741 -1.745 -2.408 384 H GLY 48 H GLY 48 0.511 1.631 -3.052 385 HA2 GLY 48 1HA GLY 48 3.156 1.223 -2.747 386 HA3 GLY 48 2HA GLY 48 2.953 1.017 -4.475 387 H LEU 49 H LEU 49 4.537 3.058 -3.980 388 HA LEU 49 HA LEU 49 2.847 5.450 -3.863 389 HB2 LEU 49 1HB LEU 49 5.765 4.972 -3.285 390 HB3 LEU 49 2HB LEU 49 5.108 6.579 -3.520 391 HG LEU 49 HG LEU 49 4.253 4.616 -1.375 392 HD11 LEU 49 1HD1 LEU 49 5.413 5.985 0.195 393 HD12 LEU 49 2HD1 LEU 49 6.546 5.604 -1.124 394 HD13 LEU 49 3HD1 LEU 49 5.778 7.208 -1.045 395 HD21 LEU 49 1HD2 LEU 49 2.337 5.880 -1.828 396 HD22 LEU 49 2HD2 LEU 49 3.100 6.713 -0.452 397 HD23 LEU 49 3HD2 LEU 49 3.268 7.372 -2.097 398 H LYS 50 H LYS 50 2.657 6.795 -5.615 399 HA LYS 50 HA LYS 50 2.986 5.920 -8.128 400 HB2 LYS 50 1HB LYS 50 2.475 8.444 -6.831 401 HB3 LYS 50 2HB LYS 50 3.495 8.706 -8.231 402 HG2 LYS 50 1HG LYS 50 1.846 8.108 -9.713 403 HG3 LYS 50 2HG LYS 50 1.295 6.773 -8.721 404 HD2 LYS 50 1HD LYS 50 0.310 8.593 -7.131 405 HD3 LYS 50 2HD LYS 50 0.578 9.718 -8.447 406 HE2 LYS 50 1HE LYS 50 -0.697 7.813 -9.865 407 HE3 LYS 50 2HE LYS 50 -1.347 7.400 -8.291 408 HZ1 LYS 50 1HZ LYS 50 -1.555 10.084 -8.380 409 HZ2 LYS 50 2HZ LYS 50 -1.902 9.655 -9.917 410 HZ3 LYS 50 3HZ LYS 50 -2.766 9.031 -8.681 411 H GLY 51 H GLY 51 4.618 5.485 -9.531 412 HA2 GLY 51 1HA GLY 51 6.670 5.735 -10.520 413 HA3 GLY 51 2HA GLY 51 7.170 6.837 -9.252 414 H GLN 52 H GLN 52 6.542 5.234 -6.938 415 HA GLN 52 HA GLN 52 8.838 3.577 -6.991 416 HB2 GLN 52 1HB GLN 52 6.953 4.647 -4.974 417 HB3 GLN 52 2HB GLN 52 7.539 3.040 -4.590 418 HG2 GLN 52 1HG GLN 52 9.755 4.658 -5.559 419 HG3 GLN 52 2HG GLN 52 8.922 5.527 -4.285 420 HE21 GLN 52 1HE2 GLN 52 8.474 4.378 -2.277 421 HE22 GLN 52 2HE2 GLN 52 9.603 3.206 -1.686 422 HA PRO 53 HA PRO 53 6.954 -0.297 -7.545 423 HB2 PRO 53 1HB PRO 53 8.184 -1.963 -5.763 424 HB3 PRO 53 2HB PRO 53 8.924 -1.455 -7.268 425 HG2 PRO 53 1HG PRO 53 9.511 -0.549 -4.517 426 HG3 PRO 53 2HG PRO 53 10.494 -0.387 -5.959 427 HD2 PRO 53 1HD PRO 53 8.931 1.667 -4.708 428 HD3 PRO 53 2HD PRO 53 9.820 1.796 -6.213 429 HA PRO 54 HA PRO 54 3.620 -0.762 -4.949 430 HB2 PRO 54 1HB PRO 54 2.380 -2.900 -6.115 431 HB3 PRO 54 2HB PRO 54 2.203 -1.256 -6.695 432 HG2 PRO 54 1HG PRO 54 3.786 -3.468 -7.852 433 HG3 PRO 54 2HG PRO 54 3.256 -1.982 -8.615 434 HD2 PRO 54 1HD PRO 54 5.895 -2.574 -7.661 435 HD3 PRO 54 2HD PRO 54 5.335 -1.049 -8.317 436 H VAL 55 H VAL 55 4.104 -1.225 -2.887 437 HA VAL 55 HA VAL 55 5.586 -3.427 -2.154 438 HB VAL 55 HB VAL 55 3.427 -2.127 -0.493 439 HG11 VAL 55 1HG1 VAL 55 5.578 -2.467 1.135 440 HG12 VAL 55 2HG1 VAL 55 4.264 -3.654 0.954 441 HG13 VAL 55 3HG1 VAL 55 5.777 -3.854 0.037 442 HG21 VAL 55 1HG2 VAL 55 6.000 -1.014 -1.528 443 HG22 VAL 55 2HG2 VAL 55 4.458 -0.200 -1.168 444 HG23 VAL 55 3HG2 VAL 55 5.556 -0.653 0.158 445 H VAL 56 H VAL 56 2.088 -3.079 -2.802 446 HA VAL 56 HA VAL 56 1.838 -5.966 -2.305 447 HB VAL 56 HB VAL 56 -0.304 -3.842 -2.094 448 HG11 VAL 56 1HG1 VAL 56 -1.073 -6.094 -0.650 449 HG12 VAL 56 2HG1 VAL 56 -1.681 -5.601 -2.248 450 HG13 VAL 56 3HG1 VAL 56 -0.337 -6.762 -2.127 451 HG21 VAL 56 1HG2 VAL 56 1.661 -3.881 -0.353 452 HG22 VAL 56 2HG2 VAL 56 -0.024 -3.746 0.202 453 HG23 VAL 56 3HG2 VAL 56 0.814 -5.314 0.276 454 H ASP 57 H ASP 57 0.986 -7.231 -3.947 455 HA ASP 57 HA ASP 57 -0.503 -6.183 -6.036 456 HB2 ASP 57 1HB ASP 57 1.410 -6.824 -7.795 457 HB3 ASP 57 2HB ASP 57 1.278 -5.201 -7.148 458 H GLY 58 H GLY 58 -1.713 -8.128 -5.554 459 HA2 GLY 58 1HA GLY 58 -0.877 -10.481 -6.914 460 HA3 GLY 58 2HA GLY 58 -0.691 -10.671 -5.183 461 H GLU 59 H GLU 59 -2.507 -12.289 -6.551 462 HA GLU 59 HA GLU 59 -5.081 -11.118 -6.506 463 HB2 GLU 59 1HB GLU 59 -4.467 -12.979 -8.036 464 HB3 GLU 59 2HB GLU 59 -4.227 -14.043 -6.664 465 HG2 GLU 59 1HG GLU 59 -6.742 -13.230 -6.081 466 HG3 GLU 59 2HG GLU 59 -6.794 -12.970 -7.813 467 H LEU 60 H LEU 60 -6.801 -11.477 -4.997 468 HA LEU 60 HA LEU 60 -5.866 -11.887 -2.318 469 HB2 LEU 60 1HB LEU 60 -8.607 -11.297 -3.442 470 HB3 LEU 60 2HB LEU 60 -8.215 -11.359 -1.735 471 HG LEU 60 HG LEU 60 -8.265 -9.093 -3.201 472 HD11 LEU 60 1HD1 LEU 60 -6.638 -8.193 -1.373 473 HD12 LEU 60 2HD1 LEU 60 -8.222 -8.857 -0.904 474 HD13 LEU 60 3HD1 LEU 60 -6.753 -9.845 -0.718 475 HD21 LEU 60 1HD2 LEU 60 -6.454 -9.616 -4.667 476 HD22 LEU 60 2HD2 LEU 60 -5.891 -8.364 -3.534 477 HD23 LEU 60 3HD2 LEU 60 -5.398 -10.059 -3.304 478 H TYR 61 H TYR 61 -6.576 -13.529 -0.851 479 HA TYR 61 HA TYR 61 -6.727 -16.081 -2.025 480 HB2 TYR 61 1HB TYR 61 -5.765 -15.626 0.212 481 HB3 TYR 61 2HB TYR 61 -7.239 -14.840 0.741 482 HD1 TYR 61 2HD TYR 61 -9.373 -16.314 0.911 483 HD2 TYR 61 1HD TYR 61 -5.410 -17.906 0.658 484 HE1 TYR 61 2HE TYR 61 -10.187 -18.515 1.891 485 HE2 TYR 61 1HE TYR 61 -6.237 -20.101 1.639 486 HH TYR 61 HH TYR 61 -9.632 -20.719 2.063 487 H ASN 62 H ASN 62 -9.106 -13.668 -1.713 488 HA ASN 62 HA ASN 62 -11.103 -15.501 -2.490 489 HB2 ASN 62 1HB ASN 62 -11.434 -15.951 -0.147 490 HB3 ASN 62 2HB ASN 62 -11.174 -14.276 0.300 491 HD21 ASN 62 1HD2 ASN 62 -13.303 -16.393 -1.590 492 HD22 ASN 62 2HD2 ASN 62 -14.780 -15.527 -1.321 493 H GLU 63 H GLU 63 -12.401 -14.307 -3.910 494 HA GLU 63 HA GLU 63 -11.949 -11.851 -4.704 495 HB2 GLU 63 1HB GLU 63 -14.675 -13.183 -4.417 496 HB3 GLU 63 2HB GLU 63 -14.414 -11.728 -5.358 497 HG2 GLU 63 1HG GLU 63 -12.844 -12.881 -6.841 498 HG3 GLU 63 2HG GLU 63 -12.848 -14.306 -5.821 499 H VAL 64 H VAL 64 -11.799 -9.878 -3.737 500 HA VAL 64 HA VAL 64 -13.360 -9.468 -1.297 501 HB VAL 64 HB VAL 64 -11.762 -7.533 -1.025 502 HG11 VAL 64 1HG1 VAL 64 -10.412 -10.244 -1.183 503 HG12 VAL 64 2HG1 VAL 64 -10.032 -8.894 -0.086 504 HG13 VAL 64 3HG1 VAL 64 -11.562 -9.785 0.095 505 HG21 VAL 64 1HG2 VAL 64 -9.719 -7.491 -2.313 506 HG22 VAL 64 2HG2 VAL 64 -10.214 -8.935 -3.228 507 HG23 VAL 64 3HG2 VAL 64 -11.103 -7.406 -3.430 508 H LYS 65 H LYS 65 -14.891 -7.844 -1.128 509 HA LYS 65 HA LYS 65 -15.974 -6.886 -3.554 510 HB2 LYS 65 1HB LYS 65 -17.202 -7.454 -1.401 511 HB3 LYS 65 2HB LYS 65 -16.617 -5.935 -0.753 512 HG2 LYS 65 1HG LYS 65 -18.053 -4.682 -2.034 513 HG3 LYS 65 2HG LYS 65 -17.814 -5.676 -3.457 514 HD2 LYS 65 1HD LYS 65 -19.416 -7.313 -2.724 515 HD3 LYS 65 2HD LYS 65 -19.422 -6.695 -1.084 516 HE2 LYS 65 1HE LYS 65 -20.426 -4.537 -1.935 517 HE3 LYS 65 2HE LYS 65 -20.486 -5.227 -3.545 518 HZ1 LYS 65 1HZ LYS 65 -22.061 -6.752 -2.893 519 HZ2 LYS 65 2HZ LYS 65 -21.724 -6.625 -1.300 520 HZ3 LYS 65 3HZ LYS 65 -22.518 -5.420 -2.065 521 H VAL 66 H VAL 66 -15.129 -5.309 -4.796 522 HA VAL 66 HA VAL 66 -13.148 -3.559 -3.807 523 HB VAL 66 HB VAL 66 -14.704 -3.024 -6.303 524 HG11 VAL 66 1HG1 VAL 66 -11.723 -3.202 -6.158 525 HG12 VAL 66 2HG1 VAL 66 -12.763 -2.087 -7.077 526 HG13 VAL 66 3HG1 VAL 66 -12.522 -1.843 -5.330 527 HG21 VAL 66 1HG2 VAL 66 -12.969 -4.815 -7.278 528 HG22 VAL 66 2HG2 VAL 66 -13.224 -5.537 -5.671 529 HG23 VAL 66 3HG2 VAL 66 -14.611 -5.261 -6.753 530 H GLU 67 H GLU 67 -16.485 -2.860 -5.086 531 HA GLU 67 HA GLU 67 -16.651 -0.287 -4.463 532 HB2 GLU 67 1HB GLU 67 -18.776 -2.446 -4.162 533 HB3 GLU 67 2HB GLU 67 -19.146 -0.739 -4.027 534 HG2 GLU 67 1HG GLU 67 -18.277 -0.335 -6.314 535 HG3 GLU 67 2HG GLU 67 -17.794 -2.014 -6.453 536 H GLU 68 H GLU 68 -16.563 -2.993 -2.184 537 HA GLU 68 HA GLU 68 -17.142 -1.131 -0.025 538 HB2 GLU 68 1HB GLU 68 -17.302 -4.146 -0.272 539 HB3 GLU 68 2HB GLU 68 -17.194 -3.401 1.311 540 HG2 GLU 68 1HG GLU 68 -19.205 -2.196 -0.552 541 HG3 GLU 68 2HG GLU 68 -19.556 -3.825 -0.009 542 H SER 69 H SER 69 -14.679 -0.728 -1.239 543 HA SER 69 HA SER 69 -12.948 -1.535 0.915 544 HB2 SER 69 1HB SER 69 -12.504 -2.254 -1.996 545 HB3 SER 69 2HB SER 69 -11.133 -2.015 -0.931 546 HG SER 69 HG SER 69 -13.109 -4.066 -0.915 547 H SER 70 H SER 70 -11.050 -0.109 1.112 548 HA SER 70 HA SER 70 -10.801 2.018 -0.760 549 HB2 SER 70 1HB SER 70 -11.331 3.853 0.727 550 HB3 SER 70 2HB SER 70 -12.714 2.778 0.690 551 HG SER 70 HG SER 70 -11.968 3.562 2.869 552 H TRP 71 H TRP 71 -9.306 3.822 0.847 553 HA TRP 71 HA TRP 71 -7.447 2.401 2.472 554 HB2 TRP 71 1HB TRP 71 -5.488 2.645 1.077 555 HB3 TRP 71 2HB TRP 71 -6.668 1.591 0.324 556 HD1 TRP 71 HD TRP 71 -7.842 2.513 -1.963 557 HE1 TRP 71 1HE TRP 71 -7.239 4.380 -3.727 558 HE3 TRP 71 3HE TRP 71 -4.457 4.927 0.966 559 HZ2 TRP 71 2HZ TRP 71 -5.454 6.607 -3.701 560 HZ3 TRP 71 3HZ TRP 71 -3.330 6.939 0.020 561 HH2 TRP 71 HH TRP 71 -3.781 7.785 -2.228 562 H LEU 72 H LEU 72 -5.844 3.954 3.390 563 HA LEU 72 HA LEU 72 -6.230 6.730 2.720 564 HB2 LEU 72 1HB LEU 72 -6.929 7.425 4.916 565 HB3 LEU 72 2HB LEU 72 -8.108 6.345 4.201 566 HG LEU 72 HG LEU 72 -8.007 5.686 6.433 567 HD11 LEU 72 1HD1 LEU 72 -7.332 3.445 6.389 568 HD12 LEU 72 2HD1 LEU 72 -7.681 3.838 4.689 569 HD13 LEU 72 3HD1 LEU 72 -5.996 3.771 5.259 570 HD21 LEU 72 1HD2 LEU 72 -5.992 5.372 7.741 571 HD22 LEU 72 2HD2 LEU 72 -4.979 5.736 6.323 572 HD23 LEU 72 3HD2 LEU 72 -6.009 7.004 7.030 573 H ILE 73 H ILE 73 -4.815 8.059 4.477 574 HA ILE 73 HA ILE 73 -2.354 6.486 4.802 575 HB ILE 73 HB ILE 73 -2.539 9.446 4.253 576 HG12 ILE 73 1HG1 ILE 73 -1.850 7.301 2.233 577 HG13 ILE 73 2HG1 ILE 73 -3.460 7.974 2.392 578 HG21 ILE 73 1HG2 ILE 73 -0.509 8.448 5.436 579 HG22 ILE 73 2HG2 ILE 73 -0.160 7.623 3.898 580 HG23 ILE 73 3HG2 ILE 73 -0.208 9.401 3.963 581 HD11 ILE 73 1HD1 ILE 73 -0.960 9.664 1.933 582 HD12 ILE 73 2HD1 ILE 73 -2.052 9.118 0.637 583 HD13 ILE 73 3HD1 ILE 73 -2.649 10.225 1.897 584 H GLU 74 H GLU 74 -1.872 6.100 6.889 585 HA GLU 74 HA GLU 74 -3.175 7.709 8.875 586 HB2 GLU 74 1HB GLU 74 -1.506 5.174 8.955 587 HB3 GLU 74 2HB GLU 74 -1.935 6.018 10.429 588 HG2 GLU 74 1HG GLU 74 -4.390 5.938 9.214 589 HG3 GLU 74 2HG GLU 74 -3.681 4.484 8.542 590 H ASP 75 H ASP 75 -2.219 9.326 10.072 591 HA ASP 75 HA ASP 75 -0.750 10.799 10.685 592 HB2 ASP 75 1HB ASP 75 0.860 8.248 10.766 593 HB3 ASP 75 2HB ASP 75 1.717 9.758 11.002 594 H GLY 76 H GLY 76 -1.048 9.977 7.703 595 HA2 GLY 76 1HA GLY 76 -0.103 10.393 5.698 596 HA3 GLY 76 2HA GLY 76 0.490 11.849 6.471 597 H LYS 77 H LYS 77 1.371 8.430 7.243 598 HA LYS 77 HA LYS 77 4.032 8.959 6.144 599 HB2 LYS 77 1HB LYS 77 4.902 7.710 8.231 600 HB3 LYS 77 2HB LYS 77 4.492 9.407 8.372 601 HG2 LYS 77 1HG LYS 77 2.273 8.829 9.314 602 HG3 LYS 77 2HG LYS 77 2.595 7.121 9.089 603 HD2 LYS 77 1HD LYS 77 4.828 7.947 10.538 604 HD3 LYS 77 2HD LYS 77 3.563 8.958 11.208 605 HE2 LYS 77 1HE LYS 77 2.227 6.585 11.178 606 HE3 LYS 77 2HE LYS 77 3.863 5.970 11.308 607 HZ1 LYS 77 1HZ LYS 77 2.798 8.056 13.078 608 HZ2 LYS 77 2HZ LYS 77 2.757 6.464 13.442 609 HZ3 LYS 77 3HZ LYS 77 4.192 7.223 13.260 610 H VAL 78 H VAL 78 1.649 6.579 7.452 611 HA VAL 78 HA VAL 78 2.818 4.625 5.593 612 HB VAL 78 HB VAL 78 2.609 3.008 7.137 613 HG11 VAL 78 1HG1 VAL 78 3.380 3.700 9.218 614 HG12 VAL 78 2HG1 VAL 78 3.785 5.092 8.185 615 HG13 VAL 78 3HG1 VAL 78 2.349 5.151 9.236 616 HG21 VAL 78 1HG2 VAL 78 0.802 3.137 8.998 617 HG22 VAL 78 2HG2 VAL 78 0.090 4.424 7.995 618 HG23 VAL 78 3HG2 VAL 78 0.294 2.786 7.329 619 H VAL 79 H VAL 79 1.413 3.465 4.224 620 HA VAL 79 HA VAL 79 -1.168 4.767 3.887 621 HB VAL 79 HB VAL 79 0.599 3.025 2.189 622 HG11 VAL 79 1HG1 VAL 79 -1.590 2.106 1.815 623 HG12 VAL 79 2HG1 VAL 79 -2.309 3.730 1.684 624 HG13 VAL 79 3HG1 VAL 79 -1.189 3.148 0.429 625 HG21 VAL 79 1HG2 VAL 79 -0.503 5.836 1.987 626 HG22 VAL 79 2HG2 VAL 79 1.197 5.310 2.050 627 HG23 VAL 79 3HG2 VAL 79 0.219 4.989 0.598 628 H THR 80 H THR 80 -3.123 3.768 4.251 629 HA THR 80 HA THR 80 -2.973 0.957 5.126 630 HB THR 80 HB THR 80 -5.130 1.947 6.469 631 HG1 THR 80 1HG THR 80 -3.113 4.062 6.199 632 HG21 THR 80 1HG2 THR 80 -2.620 2.873 7.755 633 HG22 THR 80 2HG2 THR 80 -3.817 1.693 8.342 634 HG23 THR 80 3HG2 THR 80 -2.546 1.181 7.206 635 H VAL 81 H VAL 81 -4.464 -0.482 4.343 636 HA VAL 81 HA VAL 81 -6.400 0.655 2.447 637 HB VAL 81 HB VAL 81 -4.735 -1.855 2.165 638 HG11 VAL 81 1HG1 VAL 81 -6.207 -0.972 -0.197 639 HG12 VAL 81 2HG1 VAL 81 -6.114 -2.582 0.558 640 HG13 VAL 81 3HG1 VAL 81 -7.288 -1.385 1.156 641 HG21 VAL 81 1HG2 VAL 81 -4.587 0.883 0.912 642 HG22 VAL 81 2HG2 VAL 81 -3.288 -0.111 1.615 643 HG23 VAL 81 3HG2 VAL 81 -3.992 -0.550 0.040 644 H HIS 82 H HIS 82 -8.485 -0.191 2.525 645 HA HIS 82 HA HIS 82 -8.883 -2.209 4.614 646 HB2 HIS 82 1HB HIS 82 -9.690 -0.014 5.313 647 HB3 HIS 82 2HB HIS 82 -10.652 0.132 3.855 648 HD1 HIS 82 1HD HIS 82 -10.724 -1.230 7.290 649 HD2 HIS 82 2HD HIS 82 -12.901 -1.732 3.740 650 HE1 HIS 82 1HE HIS 82 -12.900 -2.389 7.945 651 H LEU 83 H LEU 83 -9.164 -4.120 3.545 652 HA LEU 83 HA LEU 83 -10.766 -4.051 1.099 653 HB2 LEU 83 1HB LEU 83 -9.052 -6.288 2.179 654 HB3 LEU 83 2HB LEU 83 -9.804 -6.196 0.599 655 HG LEU 83 HG LEU 83 -7.641 -5.644 0.085 656 HD11 LEU 83 1HD1 LEU 83 -7.554 -3.382 -0.554 657 HD12 LEU 83 2HD1 LEU 83 -9.285 -3.795 -0.526 658 HD13 LEU 83 3HD1 LEU 83 -8.571 -2.865 0.813 659 HD21 LEU 83 1HD2 LEU 83 -6.809 -5.712 2.394 660 HD22 LEU 83 2HD2 LEU 83 -6.108 -4.360 1.474 661 HD23 LEU 83 3HD2 LEU 83 -7.404 -4.055 2.655 662 H GLU 84 H GLU 84 -12.384 -5.822 0.792 663 HA GLU 84 HA GLU 84 -13.403 -6.787 3.334 664 HB2 GLU 84 1HB GLU 84 -14.567 -4.612 2.382 665 HB3 GLU 84 2HB GLU 84 -15.327 -5.719 1.256 666 HG2 GLU 84 1HG GLU 84 -16.857 -6.199 2.858 667 HG3 GLU 84 2HG GLU 84 -15.587 -6.995 3.765 668 H LYS 85 H LYS 85 -14.172 -8.900 3.249 669 HA LYS 85 HA LYS 85 -13.685 -10.301 0.792 670 HB2 LYS 85 1HB LYS 85 -14.716 -11.311 3.460 671 HB3 LYS 85 2HB LYS 85 -14.152 -12.298 2.127 672 HG2 LYS 85 1HG LYS 85 -11.911 -11.738 2.462 673 HG3 LYS 85 2HG LYS 85 -12.287 -10.154 3.111 674 HD2 LYS 85 1HD LYS 85 -13.068 -11.160 5.230 675 HD3 LYS 85 2HD LYS 85 -12.839 -12.773 4.584 676 HE2 LYS 85 1HE LYS 85 -10.462 -12.576 4.581 677 HE3 LYS 85 2HE LYS 85 -10.510 -10.826 4.655 678 HZ1 LYS 85 1HZ LYS 85 -11.388 -10.997 6.880 679 HZ2 LYS 85 2HZ LYS 85 -11.370 -12.629 6.812 680 HZ3 LYS 85 3HZ LYS 85 -9.967 -11.794 6.776 681 H ILE 86 H ILE 86 -15.159 -10.967 -0.708 682 HA ILE 86 HA ILE 86 -17.565 -9.782 -0.990 683 HB ILE 86 HB ILE 86 -16.494 -12.422 -1.931 684 HG12 ILE 86 1HG1 ILE 86 -15.701 -10.070 -2.713 685 HG13 ILE 86 2HG1 ILE 86 -15.990 -11.329 -3.897 686 HG21 ILE 86 1HG2 ILE 86 -18.484 -12.302 -3.586 687 HG22 ILE 86 2HG2 ILE 86 -18.748 -12.976 -1.960 688 HG23 ILE 86 3HG2 ILE 86 -19.262 -11.312 -2.328 689 HD11 ILE 86 1HD1 ILE 86 -18.330 -10.416 -4.227 690 HD12 ILE 86 2HD1 ILE 86 -17.899 -9.070 -3.145 691 HD13 ILE 86 3HD1 ILE 86 -17.040 -9.280 -4.690 692 H ASN 87 H ASN 87 -16.704 -12.407 1.200 693 HA ASN 87 HA ASN 87 -19.378 -12.226 2.262 694 HB2 ASN 87 1HB ASN 87 -18.233 -14.613 0.913 695 HB3 ASN 87 2HB ASN 87 -18.818 -14.963 2.528 696 HD21 ASN 87 1HD2 ASN 87 -19.611 -14.319 -0.715 697 HD22 ASN 87 2HD2 ASN 87 -21.339 -14.316 -0.595 698 H LYS 88 H LYS 88 -19.418 -12.861 4.571 699 HA LYS 88 HA LYS 88 -16.718 -13.017 5.710 700 HB2 LYS 88 1HB LYS 88 -17.793 -10.985 6.357 701 HB3 LYS 88 2HB LYS 88 -19.287 -11.809 6.755 702 HG2 LYS 88 1HG LYS 88 -17.637 -13.189 8.401 703 HG3 LYS 88 2HG LYS 88 -16.701 -11.711 8.292 704 HD2 LYS 88 1HD LYS 88 -18.130 -11.333 10.150 705 HD3 LYS 88 2HD LYS 88 -18.908 -10.457 8.847 706 HE2 LYS 88 1HE LYS 88 -20.756 -11.793 8.911 707 HE3 LYS 88 2HE LYS 88 -19.796 -13.259 8.923 708 HZ1 LYS 88 1HZ LYS 88 -21.113 -12.116 11.042 709 HZ2 LYS 88 2HZ LYS 88 -20.144 -13.430 11.074 710 HZ3 LYS 88 3HZ LYS 88 -19.523 -11.950 11.375 711 H MET 89 H MET 89 -16.834 -15.380 5.137 712 HA MET 89 HA MET 89 -17.754 -16.768 7.442 713 HB2 MET 89 1HB MET 89 -19.208 -18.360 6.189 714 HB3 MET 89 2HB MET 89 -19.820 -16.727 6.016 715 HG2 MET 89 1HG MET 89 -19.803 -17.157 3.769 716 HG3 MET 89 2HG MET 89 -18.077 -16.869 3.868 717 HE1 MET 89 1HE MET 89 -19.328 -20.198 1.752 718 HE2 MET 89 2HE MET 89 -20.063 -18.600 2.023 719 HE3 MET 89 3HE MET 89 -18.381 -18.721 1.455 720 H GLU 90 H GLU 90 -15.255 -16.119 5.844 721 HA GLU 90 HA GLU 90 -14.269 -18.813 5.845 722 HB2 GLU 90 1HB GLU 90 -14.976 -18.613 3.518 723 HB3 GLU 90 2HB GLU 90 -14.183 -17.059 3.355 724 HG2 GLU 90 1HG GLU 90 -12.330 -18.162 2.650 725 HG3 GLU 90 2HG GLU 90 -12.138 -18.765 4.284 726 H TRP 91 H TRP 91 -12.083 -18.906 6.452 727 HA TRP 91 HA TRP 91 -10.946 -16.331 7.206 728 HB2 TRP 91 1HB TRP 91 -10.971 -17.805 9.010 729 HB3 TRP 91 2HB TRP 91 -10.483 -19.178 8.037 730 HD1 TRP 91 HD TRP 91 -7.945 -19.781 8.232 731 HE1 TRP 91 1HE TRP 91 -5.706 -18.653 9.058 732 HE3 TRP 91 3HE TRP 91 -9.960 -15.195 9.108 733 HZ2 TRP 91 2HZ TRP 91 -5.044 -16.030 9.964 734 HZ3 TRP 91 3HZ TRP 91 -8.449 -13.407 9.963 735 HH2 TRP 91 HH TRP 91 -6.069 -13.765 10.390 736 H TRP 92 H TRP 92 -8.774 -15.742 6.548 737 HA TRP 92 HA TRP 92 -8.085 -16.907 3.965 738 HB2 TRP 92 1HB TRP 92 -7.351 -14.333 5.351 739 HB3 TRP 92 2HB TRP 92 -6.526 -14.891 3.909 740 HD1 TRP 92 HD TRP 92 -10.342 -15.356 4.220 741 HE1 TRP 92 1HE TRP 92 -11.632 -13.882 2.452 742 HE3 TRP 92 3HE TRP 92 -6.258 -12.802 2.592 743 HZ2 TRP 92 2HZ TRP 92 -10.817 -11.858 0.612 744 HZ3 TRP 92 3HZ TRP 92 -6.592 -11.094 0.807 745 HH2 TRP 92 HH TRP 92 -8.776 -10.606 -0.177 746 H ASN 93 H ASN 93 -5.754 -17.401 3.539 747 HA ASN 93 HA ASN 93 -4.498 -18.318 6.004 748 HB2 ASN 93 1HB ASN 93 -5.273 -20.043 4.207 749 HB3 ASN 93 2HB ASN 93 -3.982 -19.418 3.200 750 HD21 ASN 93 1HD2 ASN 93 -3.876 -21.987 3.773 751 HD22 ASN 93 2HD2 ASN 93 -2.648 -22.373 4.932 752 H ARG 94 H ARG 94 -4.399 -16.111 3.387 753 HA ARG 94 HA ARG 94 -1.862 -15.191 4.145 754 HB2 ARG 94 1HB ARG 94 -1.217 -15.436 1.466 755 HB3 ARG 94 2HB ARG 94 -0.623 -16.501 2.724 756 HG2 ARG 94 1HG ARG 94 -1.530 -18.084 1.282 757 HG3 ARG 94 2HG ARG 94 -2.927 -17.787 2.297 758 HD2 ARG 94 1HD ARG 94 -4.017 -16.477 0.660 759 HD3 ARG 94 2HD ARG 94 -2.522 -16.052 -0.149 760 HE ARG 94 HE ARG 94 -4.164 -18.311 -0.764 761 HH11 ARG 94 2HH2 ARG 94 -0.766 -17.485 -0.376 762 HH12 ARG 94 1HH2 ARG 94 -0.211 -18.716 -1.461 763 HH21 ARG 94 2HH1 ARG 94 -3.432 -19.935 -2.195 764 HH22 ARG 94 1HH1 ARG 94 -1.738 -20.119 -2.503 765 H LEU 95 H LEU 95 -1.631 -12.995 3.515 766 HA LEU 95 HA LEU 95 -3.767 -11.493 2.958 767 HB2 LEU 95 1HB LEU 95 -1.464 -10.759 3.588 768 HB3 LEU 95 2HB LEU 95 -0.991 -10.933 1.909 769 HG LEU 95 HG LEU 95 -1.656 -8.597 2.869 770 HD11 LEU 95 1HD1 LEU 95 -2.285 -9.787 0.196 771 HD12 LEU 95 2HD1 LEU 95 -2.787 -8.115 0.541 772 HD13 LEU 95 3HD1 LEU 95 -1.070 -8.569 0.653 773 HD21 LEU 95 1HD2 LEU 95 -3.904 -9.609 3.668 774 HD22 LEU 95 2HD2 LEU 95 -3.895 -7.991 2.928 775 HD23 LEU 95 3HD2 LEU 95 -4.413 -9.402 1.975 776 H VAL 96 H VAL 96 -1.419 -12.547 0.386 777 HA VAL 96 HA VAL 96 -3.706 -12.542 -1.456 778 HB VAL 96 HB VAL 96 -1.811 -11.906 -3.151 779 HG11 VAL 96 1HG1 VAL 96 -2.382 -9.425 -1.811 780 HG12 VAL 96 2HG1 VAL 96 -3.081 -10.081 -3.311 781 HG13 VAL 96 3HG1 VAL 96 -3.814 -10.479 -1.739 782 HG21 VAL 96 1HG2 VAL 96 -0.714 -10.842 -0.529 783 HG22 VAL 96 2HG2 VAL 96 0.073 -11.984 -1.644 784 HG23 VAL 96 3HG2 VAL 96 -0.190 -10.295 -2.140 785 H THR 97 H THR 97 -3.569 -14.119 -3.192 786 HA THR 97 HA THR 97 -2.623 -16.599 -2.348 787 HB THR 97 HB THR 97 -3.371 -17.309 -4.570 788 HG1 THR 97 1HG THR 97 -2.165 -15.571 -5.679 789 HG21 THR 97 1HG2 THR 97 -5.174 -14.980 -4.532 790 HG22 THR 97 2HG2 THR 97 -5.560 -16.698 -4.275 791 HG23 THR 97 3HG2 THR 97 -4.998 -15.698 -2.914 792 H SER 98 H SER 98 -1.118 -14.092 -4.427 793 HA SER 98 HA SER 98 1.323 -15.660 -4.188 794 HB2 SER 98 1HB SER 98 1.943 -14.818 -6.504 795 HB3 SER 98 2HB SER 98 0.642 -15.991 -6.468 796 HG SER 98 HG SER 98 -0.524 -13.579 -6.212 797 H ASP 99 H ASP 99 2.541 -14.446 -2.769 798 HA ASP 99 HA ASP 99 2.184 -11.658 -2.593 799 HB2 ASP 99 1HB ASP 99 4.640 -13.052 -1.521 800 HB3 ASP 99 2HB ASP 99 3.700 -11.767 -0.788 801 HA PRO 100 HA PRO 100 5.246 -10.584 -5.553 802 HB2 PRO 100 1HB PRO 100 5.676 -7.967 -4.892 803 HB3 PRO 100 2HB PRO 100 4.322 -8.499 -5.868 804 HG2 PRO 100 1HG PRO 100 4.344 -7.644 -3.038 805 HG3 PRO 100 2HG PRO 100 2.985 -7.766 -4.137 806 HD2 PRO 100 1HD PRO 100 3.665 -9.600 -2.040 807 HD3 PRO 100 2HD PRO 100 2.375 -9.780 -3.212 808 H GLU 101 H GLU 101 6.195 -8.810 -2.649 809 HA GLU 101 HA GLU 101 8.894 -9.410 -3.164 810 HB2 GLU 101 1HB GLU 101 9.315 -8.257 -1.017 811 HB3 GLU 101 2HB GLU 101 8.203 -7.342 -2.016 812 HG2 GLU 101 1HG GLU 101 6.291 -8.516 -0.730 813 HG3 GLU 101 2HG GLU 101 7.515 -9.095 0.382 814 H ILE 102 H ILE 102 6.282 -10.973 -1.389 815 HA ILE 102 HA ILE 102 6.170 -12.812 -0.171 816 HB ILE 102 HB ILE 102 8.672 -13.528 -1.704 817 HG12 ILE 102 1HG1 ILE 102 5.870 -14.424 -2.350 818 HG13 ILE 102 2HG1 ILE 102 6.466 -12.881 -2.928 819 HG21 ILE 102 1HG2 ILE 102 8.548 -15.009 0.149 820 HG22 ILE 102 2HG2 ILE 102 6.792 -15.218 -0.044 821 HG23 ILE 102 3HG2 ILE 102 7.907 -15.888 -1.259 822 HD11 ILE 102 1HD1 ILE 102 8.192 -15.330 -3.315 823 HD12 ILE 102 2HD1 ILE 102 6.796 -15.071 -4.389 824 HD13 ILE 102 3HD1 ILE 102 8.092 -13.854 -4.305 825 H ASN 103 H ASN 103 7.240 -14.141 1.618 826 HA ASN 103 HA ASN 103 9.640 -13.189 2.695 827 HB2 ASN 103 1HB ASN 103 7.283 -11.669 3.379 828 HB3 ASN 103 2HB ASN 103 7.734 -12.583 4.805 829 HD21 ASN 103 1HD2 ASN 103 7.999 -9.692 3.595 830 HD22 ASN 103 2HD2 ASN 103 9.590 -9.199 4.071 831 H THR 104 H THR 104 8.266 -15.695 1.965 832 HA THR 104 HA THR 104 6.959 -17.101 3.836 833 HB THR 104 HB THR 104 8.309 -19.080 2.902 834 HG1 THR 104 1HG THR 104 10.298 -17.847 2.628 835 HG21 THR 104 1HG2 THR 104 6.489 -17.405 1.551 836 HG22 THR 104 2HG2 THR 104 7.882 -17.498 0.447 837 HG23 THR 104 3HG2 THR 104 7.066 -18.988 0.977 838 H LYS 105 H LYS 105 7.146 -17.569 5.929 839 HA LYS 105 HA LYS 105 9.762 -18.130 7.000 840 HB2 LYS 105 1HB LYS 105 8.445 -15.540 7.407 841 HB3 LYS 105 2HB LYS 105 8.835 -16.352 8.910 842 HG2 LYS 105 1HG LYS 105 10.868 -16.101 6.656 843 HG3 LYS 105 2HG LYS 105 10.668 -14.842 7.858 844 HD2 LYS 105 1HD LYS 105 12.131 -16.011 9.148 845 HD3 LYS 105 2HD LYS 105 10.830 -17.152 9.424 846 HE2 LYS 105 1HE LYS 105 12.022 -18.751 8.345 847 HE3 LYS 105 2HE LYS 105 11.923 -17.814 6.867 848 HZ1 LYS 105 1HZ LYS 105 13.887 -16.631 7.530 849 HZ2 LYS 105 2HZ LYS 105 13.964 -17.439 8.948 850 HZ3 LYS 105 3HZ LYS 105 14.192 -18.235 7.541 851 H LYS 106 H LYS 106 9.250 -18.356 9.647 852 HA LYS 106 HA LYS 106 7.914 -20.683 9.915 853 HB2 LYS 106 1HB LYS 106 9.178 -18.847 11.601 854 HB3 LYS 106 2HB LYS 106 7.568 -19.004 12.274 855 HG2 LYS 106 1HG LYS 106 8.214 -21.649 11.651 856 HG3 LYS 106 2HG LYS 106 9.760 -20.994 12.154 857 HD2 LYS 106 1HD LYS 106 7.616 -20.098 13.945 858 HD3 LYS 106 2HD LYS 106 7.645 -21.847 13.836 859 HE2 LYS 106 1HE LYS 106 9.699 -22.021 14.877 860 HE3 LYS 106 2HE LYS 106 10.332 -20.577 14.111 861 HZ1 LYS 106 1HZ LYS 106 9.986 -19.647 16.072 862 HZ2 LYS 106 2HZ LYS 106 8.392 -19.632 15.716 863 HZ3 LYS 106 3HZ LYS 106 9.017 -20.846 16.612 864 H ILE 107 H ILE 107 5.807 -21.188 11.048 865 HA ILE 107 HA ILE 107 3.674 -20.410 9.605 866 HB ILE 107 HB ILE 107 3.788 -21.216 12.511 867 HG12 ILE 107 1HG1 ILE 107 2.835 -23.330 10.981 868 HG13 ILE 107 2HG1 ILE 107 4.094 -22.644 9.974 869 HG21 ILE 107 1HG2 ILE 107 1.348 -21.894 11.068 870 HG22 ILE 107 2HG2 ILE 107 1.568 -21.147 12.669 871 HG23 ILE 107 3HG2 ILE 107 1.593 -20.136 11.205 872 HD11 ILE 107 1HD1 ILE 107 4.741 -22.933 12.887 873 HD12 ILE 107 2HD1 ILE 107 4.613 -24.433 11.938 874 HD13 ILE 107 3HD1 ILE 107 5.780 -23.176 11.463 875 H ASN 108 H ASN 108 4.333 -19.084 12.929 876 HA ASN 108 HA ASN 108 3.955 -16.453 12.037 877 HB2 ASN 108 1HB ASN 108 1.557 -17.904 12.695 878 HB3 ASN 108 2HB ASN 108 1.842 -16.789 14.016 879 HD21 ASN 108 1HD2 ASN 108 -0.329 -16.259 12.766 880 HD22 ASN 108 2HD2 ASN 108 -0.222 -14.930 11.660 881 HA PRO 109 HA PRO 109 5.908 -16.025 15.941 882 HB2 PRO 109 1HB PRO 109 5.644 -13.346 16.407 883 HB3 PRO 109 2HB PRO 109 6.864 -14.018 15.343 884 HG2 PRO 109 1HG PRO 109 4.364 -12.606 14.638 885 HG3 PRO 109 2HG PRO 109 5.776 -12.902 13.643 886 HD2 PRO 109 1HD PRO 109 3.270 -14.292 13.523 887 HD3 PRO 109 2HD PRO 109 4.718 -14.662 12.610 888 H GLU 110 H GLU 110 3.492 -17.234 16.225 889 HA GLU 110 HA GLU 110 2.023 -15.699 18.126 890 HB2 GLU 110 1HB GLU 110 1.743 -18.430 16.869 891 HB3 GLU 110 2HB GLU 110 0.822 -18.068 18.314 892 HG2 GLU 110 1HG GLU 110 0.366 -15.785 16.829 893 HG3 GLU 110 2HG GLU 110 0.526 -16.977 15.554 894 H ASN 111 H ASN 111 4.148 -15.484 19.464 895 HA ASN 111 HA ASN 111 4.571 -17.872 21.053 896 HB2 ASN 111 1HB ASN 111 6.560 -16.650 20.064 897 HB3 ASN 111 2HB ASN 111 6.128 -15.232 20.999 898 HD21 ASN 111 1HD2 ASN 111 6.472 -15.154 23.178 899 HD22 ASN 111 2HD2 ASN 111 7.402 -16.321 24.058 900 H SER 112 H SER 112 2.726 -17.759 22.482 901 HA SER 112 HA SER 112 1.522 -15.660 23.533 902 HB2 SER 112 1HB SER 112 2.069 -18.422 24.477 903 HB3 SER 112 2HB SER 112 1.624 -17.311 25.756 904 HG SER 112 HG SER 112 0.037 -17.142 23.425 905 H LYS 113 H LYS 113 1.793 -14.168 25.264 906 HA LYS 113 HA LYS 113 4.310 -14.339 26.732 907 HB2 LYS 113 1HB LYS 113 5.198 -12.433 25.938 908 HB3 LYS 113 2HB LYS 113 4.181 -12.743 24.545 909 HG2 LYS 113 1HG LYS 113 2.345 -11.442 26.004 910 HG3 LYS 113 2HG LYS 113 3.758 -10.785 26.806 911 HD2 LYS 113 1HD LYS 113 4.240 -9.424 25.048 912 HD3 LYS 113 2HD LYS 113 4.116 -10.741 23.900 913 HE2 LYS 113 1HE LYS 113 1.444 -10.240 24.715 914 HE3 LYS 113 2HE LYS 113 2.160 -8.652 24.531 915 HZ1 LYS 113 1HZ LYS 113 3.048 -9.664 22.353 916 HZ2 LYS 113 2HZ LYS 113 1.828 -10.735 22.531 917 HZ3 LYS 113 3HZ LYS 113 1.503 -9.138 22.423 918 H LEU 114 H LEU 114 4.256 -12.464 28.501 919 HA LEU 114 HA LEU 114 1.516 -12.439 29.563 920 HB2 LEU 114 1HB LEU 114 4.147 -12.831 30.986 921 HB3 LEU 114 2HB LEU 114 2.657 -12.431 31.816 922 HG LEU 114 HG LEU 114 2.567 -14.788 30.001 923 HD11 LEU 114 1HD1 LEU 114 4.766 -14.626 31.617 924 HD12 LEU 114 2HD1 LEU 114 3.603 -15.468 32.669 925 HD13 LEU 114 3HD1 LEU 114 4.002 -16.137 31.068 926 HD21 LEU 114 1HD2 LEU 114 0.589 -14.802 31.042 927 HD22 LEU 114 2HD2 LEU 114 1.479 -15.486 32.424 928 HD23 LEU 114 3HD2 LEU 114 1.159 -13.736 32.349 929 H SER 115 H SER 115 1.300 -10.407 28.301 930 HA SER 115 HA SER 115 1.973 -8.231 29.988 931 HB2 SER 115 1HB SER 115 3.610 -8.792 27.600 932 HB3 SER 115 2HB SER 115 2.906 -7.187 27.560 933 HG SER 115 HG SER 115 3.751 -7.296 30.010 934 H ASP 116 H ASP 116 -0.433 -8.363 29.959 935 HA ASP 116 HA ASP 116 -1.449 -7.041 27.574 936 HB2 ASP 116 1HB ASP 116 -2.749 -9.290 29.176 937 HB3 ASP 116 2HB ASP 116 -3.630 -8.314 28.018 938 H LEU 117 H LEU 117 -1.399 -4.986 28.708 939 HA LEU 117 HA LEU 117 -2.609 -4.804 31.310 940 HB2 LEU 117 1HB LEU 117 -0.969 -3.134 29.544 941 HB3 LEU 117 2HB LEU 117 -2.195 -2.239 30.420 942 HG LEU 117 HG LEU 117 -0.535 -4.152 31.994 943 HD11 LEU 117 1HD1 LEU 117 1.113 -3.087 30.501 944 HD12 LEU 117 2HD1 LEU 117 0.558 -1.487 31.051 945 HD13 LEU 117 3HD1 LEU 117 1.323 -2.608 32.203 946 HD21 LEU 117 1HD2 LEU 117 -1.834 -3.107 33.498 947 HD22 LEU 117 2HD2 LEU 117 -0.629 -1.804 33.367 948 HD23 LEU 117 3HD2 LEU 117 -2.139 -1.717 32.429 949 H ASP 118 H ASP 118 -4.231 -2.808 31.557 950 HA ASP 118 HA ASP 118 -5.935 -2.370 29.376 951 HB2 ASP 118 1HB ASP 118 -6.566 -4.746 30.061 952 HB3 ASP 118 2HB ASP 118 -7.052 -4.113 31.621 953 H SER 119 H SER 119 -7.663 -0.799 30.017 954 HA SER 119 HA SER 119 -7.300 0.176 32.740 955 HB2 SER 119 1HB SER 119 -7.702 2.505 31.762 956 HB3 SER 119 2HB SER 119 -6.154 1.775 31.384 957 HG SER 119 HG SER 119 -6.756 1.438 29.283 958 H GLU 120 H GLU 120 -9.385 -0.076 29.807 959 HA GLU 120 HA GLU 120 -11.536 -0.301 29.576 960 HB2 GLU 120 1HB GLU 120 -11.154 -1.682 31.849 961 HB3 GLU 120 2HB GLU 120 -12.136 -0.398 32.524 962 HG2 GLU 120 1HG GLU 120 -13.730 -0.885 30.464 963 HG3 GLU 120 2HG GLU 120 -12.877 -2.413 30.384 964 H THR 121 H THR 121 -12.961 1.307 29.020 965 HA THR 121 HA THR 121 -12.996 3.681 30.767 966 HB THR 121 HB THR 121 -13.127 3.391 27.722 967 HG1 THR 121 1HG THR 121 -10.979 3.480 28.411 968 HG21 THR 121 1HG2 THR 121 -12.994 5.955 27.844 969 HG22 THR 121 2HG2 THR 121 -14.578 5.269 28.278 970 HG23 THR 121 3HG2 THR 121 -13.466 5.817 29.555 971 H ARG 122 H ARG 122 -15.036 4.977 30.641 972 HA ARG 122 HA ARG 122 -17.336 3.934 29.591 973 HB2 ARG 122 1HB ARG 122 -16.530 2.679 32.131 974 HB3 ARG 122 2HB ARG 122 -18.093 3.458 32.280 975 HG2 ARG 122 1HG ARG 122 -17.630 1.805 29.810 976 HG3 ARG 122 2HG ARG 122 -17.803 0.937 31.322 977 HD2 ARG 122 1HD ARG 122 -20.021 1.666 31.654 978 HD3 ARG 122 2HD ARG 122 -19.807 3.109 30.684 979 HE ARG 122 HE ARG 122 -20.440 1.884 28.802 980 HH11 ARG 122 2HH2 ARG 122 -19.319 -0.354 31.276 981 HH12 ARG 122 1HH2 ARG 122 -19.734 -1.768 30.366 982 HH21 ARG 122 2HH1 ARG 122 -20.987 0.019 27.601 983 HH22 ARG 122 1HH1 ARG 122 -20.689 -1.555 28.261 984 H SER 123 H SER 123 -19.271 5.217 30.296 985 HA SER 123 HA SER 123 -18.579 7.424 32.047 986 HB2 SER 123 1HB SER 123 -19.719 7.659 29.233 987 HB3 SER 123 2HB SER 123 -19.813 8.963 30.400 988 HG SER 123 HG SER 123 -17.947 9.334 29.201 989 H MET 124 H MET 124 -20.725 8.768 32.506 990 HA MET 124 HA MET 124 -23.142 7.361 32.142 991 HB2 MET 124 1HB MET 124 -21.571 6.481 34.302 992 HB3 MET 124 2HB MET 124 -22.642 7.638 35.066 993 HG2 MET 124 1HG MET 124 -24.053 5.849 33.171 994 HG3 MET 124 2HG MET 124 -23.274 4.978 34.476 995 HE1 MET 124 1HE MET 124 -25.752 5.193 37.152 996 HE2 MET 124 2HE MET 124 -25.413 4.160 35.742 997 HE3 MET 124 3HE MET 124 -24.072 4.781 36.733 998 H VAL 125 H VAL 125 -24.967 8.679 32.637 999 HA VAL 125 HA VAL 125 -24.229 11.394 33.482 1000 HB VAL 125 HB VAL 125 -26.045 12.181 32.141 1001 HG11 VAL 125 1HG1 VAL 125 -24.553 12.176 30.480 1002 HG12 VAL 125 2HG1 VAL 125 -23.845 10.645 31.047 1003 HG13 VAL 125 3HG1 VAL 125 -25.240 10.625 29.942 1004 HG21 VAL 125 1HG2 VAL 125 -27.828 10.964 31.564 1005 HG22 VAL 125 2HG2 VAL 125 -26.813 9.731 30.779 1006 HG23 VAL 125 3HG2 VAL 125 -27.143 9.632 32.525 1007 H SER 126 H SER 126 -27.347 11.752 33.537 1008 HA SER 126 HA SER 126 -28.453 10.144 35.411 1009 HB2 SER 126 1HB SER 126 -26.575 12.137 36.595 1010 HB3 SER 126 2HB SER 126 -28.152 12.061 37.355 1011 HG SER 126 HG SER 126 -27.549 9.530 37.105 1012 H GLY 127 H GLY 127 -30.271 11.510 36.738 1013 HA2 GLY 127 1HA GLY 127 -31.101 13.837 35.142 1014 HA3 GLY 127 2HA GLY 127 -32.175 12.458 35.273 1015 HA PRO 128 HA PRO 128 -32.219 15.171 39.127 1016 HB2 PRO 128 1HB PRO 128 -33.624 17.420 38.465 1017 HB3 PRO 128 2HB PRO 128 -31.875 17.375 38.558 1018 HG2 PRO 128 1HG PRO 128 -33.603 17.420 36.160 1019 HG3 PRO 128 2HG PRO 128 -31.897 17.799 36.291 1020 HD2 PRO 128 1HD PRO 128 -33.044 15.387 35.243 1021 HD3 PRO 128 2HD PRO 128 -31.340 15.721 35.482 1022 H SER 129 H SER 129 -34.331 16.228 40.271 1023 HA SER 129 HA SER 129 -36.638 14.877 39.243 1024 HB2 SER 129 1HB SER 129 -37.044 13.788 41.544 1025 HB3 SER 129 2HB SER 129 -35.849 13.031 40.510 1026 HG SER 129 HG SER 129 -35.495 13.909 43.009 1027 H SER 130 H SER 130 -38.618 15.410 40.722 1028 HA SER 130 HA SER 130 -38.173 18.092 41.769 1029 HB2 SER 130 1HB SER 130 -39.937 17.253 39.800 1030 HB3 SER 130 2HB SER 130 -40.966 17.255 41.218 1031 HG SER 130 HG SER 130 -40.768 19.333 39.946 1032 H GLY 131 H GLY 131 -39.918 18.686 43.545 1033 HA2 GLY 131 1HA GLY 131 -39.799 16.566 45.550 1034 HA3 GLY 131 2HA GLY 131 -40.156 18.262 45.807 Start of MODEL 15 1 H1 GLY 1 H GLY 1 22.908 -15.825 -13.407 2 HA2 GLY 1 1HA GLY 1 21.274 -17.654 -13.197 3 HA3 GLY 1 2HA GLY 1 22.434 -18.471 -12.168 4 H SER 2 H SER 2 19.694 -17.662 -11.463 5 HA SER 2 HA SER 2 20.294 -16.509 -8.984 6 HB2 SER 2 1HB SER 2 19.078 -14.740 -11.113 7 HB3 SER 2 2HB SER 2 18.590 -14.522 -9.444 8 HG SER 2 HG SER 2 21.120 -14.061 -10.671 9 H SER 3 H SER 3 18.639 -17.033 -7.511 10 HA SER 3 HA SER 3 15.987 -17.348 -8.291 11 HB2 SER 3 1HB SER 3 17.517 -19.540 -9.066 12 HB3 SER 3 2HB SER 3 16.895 -20.057 -7.511 13 HG SER 3 HG SER 3 15.448 -20.618 -9.256 14 H GLY 4 H GLY 4 14.819 -17.011 -6.423 15 HA2 GLY 4 1HA GLY 4 15.478 -18.242 -3.946 16 HA3 GLY 4 2HA GLY 4 16.012 -16.573 -3.967 17 H SER 5 H SER 5 14.282 -16.625 -2.124 18 HA SER 5 HA SER 5 11.916 -15.501 -3.283 19 HB2 SER 5 1HB SER 5 11.432 -17.977 -3.039 20 HB3 SER 5 2HB SER 5 11.684 -17.818 -1.312 21 HG SER 5 HG SER 5 9.616 -17.287 -1.222 22 H SER 6 H SER 6 11.051 -13.877 -1.938 23 HA SER 6 HA SER 6 12.525 -13.519 0.543 24 HB2 SER 6 1HB SER 6 12.595 -11.721 -1.265 25 HB3 SER 6 2HB SER 6 10.886 -11.453 -0.985 26 HG SER 6 HG SER 6 11.288 -10.647 1.052 27 H GLY 7 H GLY 7 11.199 -12.411 2.362 28 HA2 GLY 7 1HA GLY 7 8.646 -13.830 2.587 29 HA3 GLY 7 2HA GLY 7 9.588 -13.124 3.885 30 HA PRO 8 HA PRO 8 6.291 -10.160 2.956 31 HB2 PRO 8 1HB PRO 8 5.325 -9.890 5.498 32 HB3 PRO 8 2HB PRO 8 4.653 -11.012 4.331 33 HG2 PRO 8 1HG PRO 8 6.376 -11.578 6.666 34 HG3 PRO 8 2HG PRO 8 5.362 -12.681 5.756 35 HD2 PRO 8 1HD PRO 8 8.215 -12.437 5.588 36 HD3 PRO 8 2HD PRO 8 7.190 -13.457 4.597 37 H ASN 9 H ASN 9 5.706 -8.138 4.791 38 HA ASN 9 HA ASN 9 8.067 -7.148 5.883 39 HB2 ASN 9 1HB ASN 9 7.479 -6.442 3.043 40 HB3 ASN 9 2HB ASN 9 7.777 -5.054 4.070 41 HD21 ASN 9 1HD2 ASN 9 9.727 -4.989 5.334 42 HD22 ASN 9 2HD2 ASN 9 11.172 -5.760 4.769 43 H TYR 10 H TYR 10 4.904 -6.484 4.271 44 HA TYR 10 HA TYR 10 4.376 -4.300 6.128 45 HB2 TYR 10 1HB TYR 10 2.313 -4.172 4.574 46 HB3 TYR 10 2HB TYR 10 3.842 -3.972 3.742 47 HD1 TYR 10 1HD TYR 10 1.381 -6.648 4.664 48 HD2 TYR 10 2HD TYR 10 4.284 -5.256 1.845 49 HE1 TYR 10 1HE TYR 10 0.787 -8.560 3.096 50 HE2 TYR 10 2HE TYR 10 3.680 -7.172 0.288 51 HH TYR 10 HH TYR 10 1.865 -9.820 1.308 52 H ARG 11 H ARG 11 2.301 -4.221 7.310 53 HA ARG 11 HA ARG 11 1.725 -6.852 8.322 54 HB2 ARG 11 1HB ARG 11 0.606 -5.659 10.175 55 HB3 ARG 11 2HB ARG 11 2.198 -4.976 9.911 56 HG2 ARG 11 1HG ARG 11 0.878 -3.321 8.277 57 HG3 ARG 11 2HG ARG 11 -0.505 -3.799 9.241 58 HD2 ARG 11 1HD ARG 11 0.429 -1.814 10.274 59 HD3 ARG 11 2HD ARG 11 0.803 -3.163 11.329 60 HE ARG 11 HE ARG 11 2.970 -2.907 9.510 61 HH11 ARG 11 2HH2 ARG 11 1.478 -1.061 12.108 62 HH12 ARG 11 1HH2 ARG 11 2.946 -0.256 12.552 63 HH21 ARG 11 2HH1 ARG 11 4.907 -1.844 10.095 64 HH22 ARG 11 1HH1 ARG 11 4.909 -0.704 11.399 65 H TRP 12 H TRP 12 -0.560 -7.575 8.626 66 HA TRP 12 HA TRP 12 -2.621 -6.124 7.256 67 HB2 TRP 12 1HB TRP 12 -3.087 -7.637 5.523 68 HB3 TRP 12 2HB TRP 12 -1.381 -7.256 5.401 69 HD1 TRP 12 HD TRP 12 0.359 -9.287 5.886 70 HE1 TRP 12 1HE TRP 12 0.164 -11.916 6.012 71 HE3 TRP 12 3HE TRP 12 -4.709 -9.418 6.283 72 HZ2 TRP 12 2HZ TRP 12 -2.038 -13.714 6.259 73 HZ3 TRP 12 3HZ TRP 12 -5.802 -11.650 6.462 74 HH2 TRP 12 HH TRP 12 -4.552 -13.750 6.455 75 H THR 13 H THR 13 -4.569 -6.619 8.247 76 HA THR 13 HA THR 13 -4.676 -9.106 9.804 77 HB THR 13 HB THR 13 -5.378 -7.913 11.764 78 HG1 THR 13 1HG THR 13 -5.465 -5.616 9.937 79 HG21 THR 13 1HG2 THR 13 -3.711 -6.121 12.142 80 HG22 THR 13 2HG2 THR 13 -2.928 -7.487 11.311 81 HG23 THR 13 3HG2 THR 13 -3.385 -6.031 10.394 82 H GLN 14 H GLN 14 -7.223 -8.814 10.866 83 HA GLN 14 HA GLN 14 -9.126 -7.845 9.178 84 HB2 GLN 14 1HB GLN 14 -9.897 -9.926 7.994 85 HB3 GLN 14 2HB GLN 14 -8.355 -9.324 7.418 86 HG2 GLN 14 1HG GLN 14 -7.292 -11.241 8.016 87 HG3 GLN 14 2HG GLN 14 -7.927 -11.159 9.647 88 HE21 GLN 14 1HE2 GLN 14 -7.556 -13.489 8.059 89 HE22 GLN 14 2HE2 GLN 14 -9.093 -14.248 7.815 90 H THR 15 H THR 15 -11.254 -9.583 9.414 91 HA THR 15 HA THR 15 -11.223 -10.827 12.014 92 HB THR 15 HB THR 15 -11.530 -8.396 12.555 93 HG1 THR 15 1HG THR 15 -12.725 -10.284 13.591 94 HG21 THR 15 1HG2 THR 15 -14.238 -8.045 11.741 95 HG22 THR 15 2HG2 THR 15 -12.831 -7.108 11.185 96 HG23 THR 15 3HG2 THR 15 -13.360 -8.544 10.275 97 H LEU 16 H LEU 16 -11.451 -12.286 9.868 98 HA LEU 16 HA LEU 16 -12.764 -13.529 8.571 99 HB2 LEU 16 1HB LEU 16 -14.318 -13.436 11.152 100 HB3 LEU 16 2HB LEU 16 -14.757 -14.486 9.820 101 HG LEU 16 HG LEU 16 -13.126 -15.181 11.881 102 HD11 LEU 16 1HD1 LEU 16 -12.622 -16.446 9.212 103 HD12 LEU 16 2HD1 LEU 16 -12.888 -17.197 10.804 104 HD13 LEU 16 3HD1 LEU 16 -14.259 -16.493 9.912 105 HD21 LEU 16 1HD2 LEU 16 -11.289 -14.386 9.605 106 HD22 LEU 16 2HD2 LEU 16 -11.338 -13.673 11.235 107 HD23 LEU 16 3HD2 LEU 16 -10.825 -15.364 11.018 108 H ALA 17 H ALA 17 -13.089 -10.583 8.324 109 HA ALA 17 HA ALA 17 -15.574 -10.681 6.853 110 HB1 ALA 17 1HB ALA 17 -15.826 -8.239 8.150 111 HB2 ALA 17 2HB ALA 17 -16.755 -9.712 8.518 112 HB3 ALA 17 3HB ALA 17 -15.287 -9.329 9.450 113 H GLU 18 H GLU 18 -13.822 -7.790 8.061 114 HA GLU 18 HA GLU 18 -13.164 -7.216 5.310 115 HB2 GLU 18 1HB GLU 18 -12.729 -4.936 6.095 116 HB3 GLU 18 2HB GLU 18 -14.286 -5.478 6.690 117 HG2 GLU 18 1HG GLU 18 -13.598 -5.007 8.797 118 HG3 GLU 18 2HG GLU 18 -12.423 -6.300 8.668 119 H LEU 19 H LEU 19 -10.953 -6.391 4.750 120 HA LEU 19 HA LEU 19 -8.942 -7.719 6.429 121 HB2 LEU 19 1HB LEU 19 -9.485 -7.752 3.562 122 HB3 LEU 19 2HB LEU 19 -7.823 -7.337 3.928 123 HG LEU 19 HG LEU 19 -9.040 -9.719 5.281 124 HD11 LEU 19 1HD1 LEU 19 -9.403 -9.590 2.634 125 HD12 LEU 19 2HD1 LEU 19 -7.730 -10.197 2.654 126 HD13 LEU 19 3HD1 LEU 19 -9.016 -11.104 3.486 127 HD21 LEU 19 1HD2 LEU 19 -6.625 -10.530 4.818 128 HD22 LEU 19 2HD2 LEU 19 -6.286 -8.817 4.474 129 HD23 LEU 19 3HD2 LEU 19 -6.898 -9.299 6.074 130 H ASP 20 H ASP 20 -7.340 -6.491 7.307 131 HA ASP 20 HA ASP 20 -7.343 -3.703 6.468 132 HB2 ASP 20 1HB ASP 20 -7.225 -5.063 9.062 133 HB3 ASP 20 2HB ASP 20 -5.852 -3.991 8.870 134 H LEU 21 H LEU 21 -5.395 -2.858 5.629 135 HA LEU 21 HA LEU 21 -2.981 -4.470 6.005 136 HB2 LEU 21 1HB LEU 21 -3.652 -5.191 3.899 137 HB3 LEU 21 2HB LEU 21 -4.242 -3.611 3.425 138 HG LEU 21 HG LEU 21 -2.195 -4.256 2.228 139 HD11 LEU 21 1HD1 LEU 21 -1.623 -2.111 2.064 140 HD12 LEU 21 2HD1 LEU 21 -2.779 -1.801 3.381 141 HD13 LEU 21 3HD1 LEU 21 -1.056 -2.048 3.750 142 HD21 LEU 21 1HD2 LEU 21 -0.374 -5.103 3.191 143 HD22 LEU 21 2HD2 LEU 21 -0.325 -3.819 4.422 144 HD23 LEU 21 3HD2 LEU 21 -1.348 -5.254 4.673 145 H ALA 22 H ALA 22 -1.047 -3.269 6.140 146 HA ALA 22 HA ALA 22 -1.308 -0.377 5.864 147 HB1 ALA 22 1HB ALA 22 -0.004 -1.534 8.329 148 HB2 ALA 22 2HB ALA 22 -0.666 0.097 8.062 149 HB3 ALA 22 3HB ALA 22 -1.766 -1.284 8.285 150 H VAL 23 H VAL 23 0.495 0.520 4.935 151 HA VAL 23 HA VAL 23 2.926 -1.118 4.942 152 HB VAL 23 HB VAL 23 1.705 0.274 2.549 153 HG11 VAL 23 1HG1 VAL 23 3.541 -0.658 1.265 154 HG12 VAL 23 2HG1 VAL 23 4.191 0.317 2.605 155 HG13 VAL 23 3HG1 VAL 23 4.193 -1.460 2.715 156 HG21 VAL 23 1HG2 VAL 23 2.066 -2.472 2.031 157 HG22 VAL 23 2HG2 VAL 23 1.311 -2.377 3.641 158 HG23 VAL 23 3HG2 VAL 23 0.530 -1.598 2.243 159 HA PRO 24 HA PRO 24 4.172 2.884 6.302 160 HB2 PRO 24 1HB PRO 24 6.458 2.082 7.566 161 HB3 PRO 24 2HB PRO 24 4.893 2.127 8.353 162 HG2 PRO 24 1HG PRO 24 6.410 -0.215 7.378 163 HG3 PRO 24 2HG PRO 24 5.083 -0.165 8.522 164 HD2 PRO 24 1HD PRO 24 4.951 -0.979 5.774 165 HD3 PRO 24 2HD PRO 24 3.606 -0.818 6.885 166 H PHE 25 H PHE 25 5.779 4.463 5.792 167 HA PHE 25 HA PHE 25 7.643 3.483 3.767 168 HB2 PHE 25 1HB PHE 25 5.623 5.795 3.643 169 HB3 PHE 25 2HB PHE 25 6.979 5.703 2.538 170 HD1 PHE 25 2HD PHE 25 6.916 2.653 2.192 171 HD2 PHE 25 1HD PHE 25 3.881 5.615 2.044 172 HE1 PHE 25 2HE PHE 25 5.567 1.194 0.659 173 HE2 PHE 25 1HE PHE 25 2.532 4.156 0.511 174 HZ PHE 25 HZ PHE 25 3.391 1.962 -0.163 175 H ARG 26 H ARG 26 9.405 5.104 3.300 176 HA ARG 26 HA ARG 26 9.885 6.645 5.721 177 HB2 ARG 26 1HB ARG 26 11.699 5.069 3.881 178 HB3 ARG 26 2HB ARG 26 12.376 6.448 4.725 179 HG2 ARG 26 1HG ARG 26 10.950 5.141 6.745 180 HG3 ARG 26 2HG ARG 26 11.561 3.807 5.788 181 HD2 ARG 26 1HD ARG 26 13.715 4.155 6.473 182 HD3 ARG 26 2HD ARG 26 13.615 5.883 6.195 183 HE ARG 26 HE ARG 26 13.272 4.538 8.731 184 HH11 ARG 26 2HH2 ARG 26 12.118 7.297 6.875 185 HH12 ARG 26 1HH2 ARG 26 11.684 8.219 8.275 186 HH21 ARG 26 2HH1 ARG 26 12.699 5.755 10.578 187 HH22 ARG 26 1HH1 ARG 26 12.017 7.337 10.396 188 H VAL 27 H VAL 27 8.973 8.648 5.039 189 HA VAL 27 HA VAL 27 10.491 9.968 2.922 190 HB VAL 27 HB VAL 27 8.233 11.020 2.263 191 HG11 VAL 27 1HG1 VAL 27 9.307 9.770 0.614 192 HG12 VAL 27 2HG1 VAL 27 9.194 8.256 1.543 193 HG13 VAL 27 3HG1 VAL 27 7.740 8.942 0.778 194 HG21 VAL 27 1HG2 VAL 27 6.688 10.287 3.838 195 HG22 VAL 27 2HG2 VAL 27 6.387 9.185 2.473 196 HG23 VAL 27 3HG2 VAL 27 7.344 8.633 3.868 197 H SER 28 H SER 28 10.106 12.421 3.026 198 HA SER 28 HA SER 28 9.949 13.101 5.848 199 HB2 SER 28 1HB SER 28 11.607 14.014 3.571 200 HB3 SER 28 2HB SER 28 10.977 15.332 4.539 201 HG SER 28 HG SER 28 12.972 14.669 5.430 202 H PHE 29 H PHE 29 7.936 12.929 3.269 203 HA PHE 29 HA PHE 29 6.590 15.441 3.978 204 HB2 PHE 29 1HB PHE 29 5.644 15.091 1.550 205 HB3 PHE 29 2HB PHE 29 7.310 15.619 1.677 206 HD1 PHE 29 1HD PHE 29 9.136 13.829 1.538 207 HD2 PHE 29 2HD PHE 29 5.108 13.116 0.412 208 HE1 PHE 29 1HE PHE 29 9.867 11.850 0.178 209 HE2 PHE 29 2HE PHE 29 5.838 11.137 -0.948 210 HZ PHE 29 HZ PHE 29 8.209 10.528 -1.049 211 H ARG 30 H ARG 30 4.151 15.338 3.578 212 HA ARG 30 HA ARG 30 3.252 12.866 4.720 213 HB2 ARG 30 1HB ARG 30 2.296 15.666 4.579 214 HB3 ARG 30 2HB ARG 30 1.002 14.507 4.347 215 HG2 ARG 30 1HG ARG 30 1.067 13.815 6.526 216 HG3 ARG 30 2HG ARG 30 2.818 13.738 6.548 217 HD2 ARG 30 1HD ARG 30 2.974 16.174 6.894 218 HD3 ARG 30 2HD ARG 30 1.241 16.352 6.705 219 HE ARG 30 HE ARG 30 2.630 15.488 9.101 220 HH11 ARG 30 2HH2 ARG 30 -0.372 15.094 7.307 221 HH12 ARG 30 1HH2 ARG 30 -1.300 14.661 8.704 222 HH21 ARG 30 2HH1 ARG 30 1.407 14.917 10.945 223 HH22 ARG 30 1HH1 ARG 30 -0.281 14.560 10.787 224 H LEU 31 H LEU 31 2.856 11.229 3.243 225 HA LEU 31 HA LEU 31 2.438 11.519 0.566 226 HB2 LEU 31 1HB LEU 31 1.465 9.383 2.464 227 HB3 LEU 31 2HB LEU 31 1.373 9.250 0.719 228 HG LEU 31 HG LEU 31 3.287 8.046 1.304 229 HD11 LEU 31 1HD1 LEU 31 5.084 9.144 0.215 230 HD12 LEU 31 2HD1 LEU 31 3.589 9.740 -0.543 231 HD13 LEU 31 3HD1 LEU 31 4.454 10.754 0.637 232 HD21 LEU 31 1HD2 LEU 31 3.291 9.382 3.642 233 HD22 LEU 31 2HD2 LEU 31 4.654 8.392 3.068 234 HD23 LEU 31 3HD2 LEU 31 4.682 10.159 2.848 235 H LYS 32 H LYS 32 0.856 12.350 -0.688 236 HA LYS 32 HA LYS 32 -1.691 12.912 0.637 237 HB2 LYS 32 1HB LYS 32 -0.369 14.115 -1.810 238 HB3 LYS 32 2HB LYS 32 -2.000 14.495 -1.296 239 HG2 LYS 32 1HG LYS 32 -1.063 16.105 0.012 240 HG3 LYS 32 2HG LYS 32 -0.561 14.802 1.070 241 HD2 LYS 32 1HD LYS 32 1.395 16.162 0.534 242 HD3 LYS 32 2HD LYS 32 1.583 14.595 -0.228 243 HE2 LYS 32 1HE LYS 32 1.596 15.504 -2.317 244 HE3 LYS 32 2HE LYS 32 0.154 16.447 -1.999 245 HZ1 LYS 32 1HZ LYS 32 1.715 18.056 -2.219 246 HZ2 LYS 32 2HZ LYS 32 1.803 17.844 -0.602 247 HZ3 LYS 32 3HZ LYS 32 2.931 17.175 -1.575 248 H GLY 33 H GLY 33 -3.697 12.643 -0.715 249 HA2 GLY 33 1HA GLY 33 -3.740 9.996 -1.805 250 HA3 GLY 33 2HA GLY 33 -5.076 11.121 -1.667 251 H LYS 34 H LYS 34 -1.874 11.260 -3.392 252 HA LYS 34 HA LYS 34 -3.269 11.288 -5.925 253 HB2 LYS 34 1HB LYS 34 -2.231 13.407 -6.645 254 HB3 LYS 34 2HB LYS 34 -3.390 13.628 -5.350 255 HG2 LYS 34 1HG LYS 34 -1.124 13.268 -3.863 256 HG3 LYS 34 2HG LYS 34 -0.411 13.951 -5.310 257 HD2 LYS 34 1HD LYS 34 -2.867 15.310 -4.225 258 HD3 LYS 34 2HD LYS 34 -1.386 15.490 -3.305 259 HE2 LYS 34 1HE LYS 34 -0.957 17.222 -4.740 260 HE3 LYS 34 2HE LYS 34 -0.442 15.964 -5.847 261 HZ1 LYS 34 1HZ LYS 34 -2.557 15.960 -6.848 262 HZ2 LYS 34 2HZ LYS 34 -3.215 16.913 -5.697 263 HZ3 LYS 34 3HZ LYS 34 -2.114 17.527 -6.735 264 H ASP 35 H ASP 35 -0.178 11.598 -4.083 265 HA ASP 35 HA ASP 35 1.271 10.561 -6.312 266 HB2 ASP 35 1HB ASP 35 1.850 11.938 -3.840 267 HB3 ASP 35 2HB ASP 35 2.782 10.455 -3.851 268 H VAL 36 H VAL 36 -0.900 9.142 -4.353 269 HA VAL 36 HA VAL 36 0.731 6.831 -3.622 270 HB VAL 36 HB VAL 36 -2.142 7.471 -2.937 271 HG11 VAL 36 1HG1 VAL 36 -0.194 5.338 -2.111 272 HG12 VAL 36 2HG1 VAL 36 -1.432 5.893 -0.958 273 HG13 VAL 36 3HG1 VAL 36 -1.920 5.205 -2.526 274 HG21 VAL 36 1HG2 VAL 36 -0.134 7.745 -0.806 275 HG22 VAL 36 2HG2 VAL 36 0.037 8.940 -2.114 276 HG23 VAL 36 3HG2 VAL 36 -1.504 8.796 -1.236 277 H VAL 37 H VAL 37 -0.382 4.631 -4.003 278 HA VAL 37 HA VAL 37 -2.064 4.621 -6.367 279 HB VAL 37 HB VAL 37 0.713 3.444 -6.242 280 HG11 VAL 37 1HG1 VAL 37 -0.336 1.660 -7.232 281 HG12 VAL 37 2HG1 VAL 37 -1.657 2.655 -7.889 282 HG13 VAL 37 3HG1 VAL 37 -0.056 2.675 -8.667 283 HG21 VAL 37 1HG2 VAL 37 -0.649 5.508 -7.980 284 HG22 VAL 37 2HG2 VAL 37 0.848 5.657 -7.029 285 HG23 VAL 37 3HG2 VAL 37 0.827 4.663 -8.505 286 H VAL 38 H VAL 38 -3.767 3.581 -5.407 287 HA VAL 38 HA VAL 38 -3.119 1.003 -4.157 288 HB VAL 38 HB VAL 38 -4.955 3.206 -3.259 289 HG11 VAL 38 1HG1 VAL 38 -6.526 1.527 -3.106 290 HG12 VAL 38 2HG1 VAL 38 -5.305 0.251 -2.881 291 HG13 VAL 38 3HG1 VAL 38 -5.705 1.347 -1.537 292 HG21 VAL 38 1HG2 VAL 38 -3.895 2.358 -1.013 293 HG22 VAL 38 2HG2 VAL 38 -2.677 1.631 -2.089 294 HG23 VAL 38 3HG2 VAL 38 -2.950 3.390 -2.114 295 H ASP 39 H ASP 39 -3.606 -0.374 -5.834 296 HA ASP 39 HA ASP 39 -6.048 0.157 -7.285 297 HB2 ASP 39 1HB ASP 39 -3.578 -0.721 -8.111 298 HB3 ASP 39 2HB ASP 39 -4.390 -2.259 -7.895 299 H ILE 40 H ILE 40 -7.684 -0.541 -5.778 300 HA ILE 40 HA ILE 40 -7.393 -3.217 -4.664 301 HB ILE 40 HB ILE 40 -9.237 -0.903 -4.104 302 HG12 ILE 40 1HG1 ILE 40 -7.332 -2.355 -2.255 303 HG13 ILE 40 2HG1 ILE 40 -6.858 -0.962 -3.206 304 HG21 ILE 40 1HG2 ILE 40 -9.718 -2.831 -2.158 305 HG22 ILE 40 2HG2 ILE 40 -10.811 -2.344 -3.476 306 HG23 ILE 40 3HG2 ILE 40 -9.727 -3.740 -3.689 307 HD11 ILE 40 1HD1 ILE 40 -8.811 0.312 -2.172 308 HD12 ILE 40 2HD1 ILE 40 -9.043 -1.078 -1.084 309 HD13 ILE 40 3HD1 ILE 40 -7.527 -0.148 -1.028 310 H GLN 41 H GLN 41 -7.865 -4.750 -6.186 311 HA GLN 41 HA GLN 41 -10.221 -4.256 -7.811 312 HB2 GLN 41 1HB GLN 41 -7.714 -5.859 -8.153 313 HB3 GLN 41 2HB GLN 41 -9.165 -6.527 -8.873 314 HG2 GLN 41 1HG GLN 41 -8.256 -3.648 -9.323 315 HG3 GLN 41 2HG GLN 41 -7.806 -4.969 -10.383 316 HE21 GLN 41 1HE2 GLN 41 -9.861 -2.493 -10.037 317 HE22 GLN 41 2HE2 GLN 41 -11.237 -3.036 -10.938 318 H ARG 42 H ARG 42 -11.297 -6.612 -8.415 319 HA ARG 42 HA ARG 42 -12.619 -7.340 -6.128 320 HB2 ARG 42 1HB ARG 42 -13.334 -7.686 -8.569 321 HB3 ARG 42 2HB ARG 42 -12.267 -9.076 -8.620 322 HG2 ARG 42 1HG ARG 42 -14.491 -9.894 -8.110 323 HG3 ARG 42 2HG ARG 42 -13.530 -10.058 -6.653 324 HD2 ARG 42 1HD ARG 42 -15.127 -8.864 -5.562 325 HD3 ARG 42 2HD ARG 42 -14.603 -7.454 -6.461 326 HE ARG 42 HE ARG 42 -16.957 -9.145 -7.055 327 HH11 ARG 42 2HH2 ARG 42 -14.829 -6.554 -8.125 328 HH12 ARG 42 1HH2 ARG 42 -15.962 -5.927 -9.277 329 HH21 ARG 42 2HH1 ARG 42 -18.451 -8.319 -8.574 330 HH22 ARG 42 1HH1 ARG 42 -18.035 -6.938 -9.533 331 H ARG 43 H ARG 43 -10.057 -9.131 -7.996 332 HA ARG 43 HA ARG 43 -9.432 -10.484 -5.501 333 HB2 ARG 43 1HB ARG 43 -10.685 -11.837 -7.459 334 HB3 ARG 43 2HB ARG 43 -9.072 -11.931 -8.135 335 HG2 ARG 43 1HG ARG 43 -8.208 -13.048 -6.157 336 HG3 ARG 43 2HG ARG 43 -9.674 -12.721 -5.253 337 HD2 ARG 43 1HD ARG 43 -10.788 -14.505 -6.171 338 HD3 ARG 43 2HD ARG 43 -10.186 -14.176 -7.783 339 HE ARG 43 HE ARG 43 -8.150 -15.229 -5.942 340 HH11 ARG 43 2HH2 ARG 43 -10.631 -16.035 -8.304 341 HH12 ARG 43 1HH2 ARG 43 -9.961 -17.591 -8.666 342 HH21 ARG 43 2HH1 ARG 43 -7.267 -17.282 -6.419 343 HH22 ARG 43 1HH1 ARG 43 -8.035 -18.305 -7.586 344 H HIS 44 H HIS 44 -8.015 -8.280 -5.954 345 HA HIS 44 HA HIS 44 -5.411 -9.144 -6.276 346 HB2 HIS 44 1HB HIS 44 -6.559 -8.991 -8.756 347 HB3 HIS 44 2HB HIS 44 -5.881 -7.383 -8.602 348 HD1 HIS 44 1HD HIS 44 -3.221 -7.920 -7.189 349 HD2 HIS 44 2HD HIS 44 -4.726 -10.338 -10.269 350 HE1 HIS 44 1HE HIS 44 -1.211 -9.122 -8.201 351 H LEU 45 H LEU 45 -4.104 -7.660 -5.261 352 HA LEU 45 HA LEU 45 -5.289 -4.999 -4.872 353 HB2 LEU 45 1HB LEU 45 -5.326 -6.373 -2.851 354 HB3 LEU 45 2HB LEU 45 -3.596 -6.628 -2.973 355 HG LEU 45 HG LEU 45 -3.199 -4.224 -2.629 356 HD11 LEU 45 1HD1 LEU 45 -5.732 -3.378 -1.632 357 HD12 LEU 45 2HD1 LEU 45 -4.777 -2.709 -2.977 358 HD13 LEU 45 3HD1 LEU 45 -5.962 -4.002 -3.283 359 HD21 LEU 45 1HD2 LEU 45 -3.349 -4.327 -0.354 360 HD22 LEU 45 2HD2 LEU 45 -5.009 -4.968 -0.374 361 HD23 LEU 45 3HD2 LEU 45 -3.638 -6.039 -0.748 362 H ARG 46 H ARG 46 -3.564 -3.279 -4.391 363 HA ARG 46 HA ARG 46 -0.953 -3.798 -5.240 364 HB2 ARG 46 1HB ARG 46 -2.555 -3.634 -7.421 365 HB3 ARG 46 2HB ARG 46 -2.309 -1.917 -7.171 366 HG2 ARG 46 1HG ARG 46 0.185 -2.309 -7.154 367 HG3 ARG 46 2HG ARG 46 -0.101 -4.005 -7.491 368 HD2 ARG 46 1HD ARG 46 -1.587 -2.341 -9.384 369 HD3 ARG 46 2HD ARG 46 0.106 -1.889 -9.384 370 HE ARG 46 HE ARG 46 0.172 -4.668 -9.444 371 HH11 ARG 46 2HH2 ARG 46 -1.344 -2.192 -11.432 372 HH12 ARG 46 1HH2 ARG 46 -1.289 -3.140 -12.881 373 HH21 ARG 46 2HH1 ARG 46 0.245 -5.919 -11.355 374 HH22 ARG 46 1HH1 ARG 46 -0.379 -5.274 -12.836 375 H VAL 47 H VAL 47 -0.129 -2.542 -3.566 376 HA VAL 47 HA VAL 47 -1.121 0.223 -3.424 377 HB VAL 47 HB VAL 47 -0.116 -1.615 -1.243 378 HG11 VAL 47 1HG1 VAL 47 0.707 0.391 -0.477 379 HG12 VAL 47 2HG1 VAL 47 -0.530 1.352 -1.324 380 HG13 VAL 47 3HG1 VAL 47 -0.952 0.471 0.163 381 HG21 VAL 47 1HG2 VAL 47 -2.441 -2.026 -1.969 382 HG22 VAL 47 2HG2 VAL 47 -2.360 -1.388 -0.309 383 HG23 VAL 47 3HG2 VAL 47 -2.833 -0.319 -1.652 384 H GLY 48 H GLY 48 0.453 1.889 -3.124 385 HA2 GLY 48 1HA GLY 48 3.111 1.684 -2.637 386 HA3 GLY 48 2HA GLY 48 2.994 1.270 -4.336 387 H LEU 49 H LEU 49 4.408 3.551 -3.601 388 HA LEU 49 HA LEU 49 2.616 5.809 -3.861 389 HB2 LEU 49 1HB LEU 49 5.630 5.750 -3.691 390 HB3 LEU 49 2HB LEU 49 4.589 7.147 -3.505 391 HG LEU 49 HG LEU 49 5.336 6.485 -1.340 392 HD11 LEU 49 1HD1 LEU 49 3.331 6.463 -0.194 393 HD12 LEU 49 2HD1 LEU 49 2.835 7.066 -1.793 394 HD13 LEU 49 3HD1 LEU 49 2.551 5.364 -1.356 395 HD21 LEU 49 1HD2 LEU 49 4.110 3.753 -1.553 396 HD22 LEU 49 2HD2 LEU 49 5.753 4.048 -2.172 397 HD23 LEU 49 3HD2 LEU 49 5.379 4.352 -0.458 398 H LYS 50 H LYS 50 2.256 6.979 -5.709 399 HA LYS 50 HA LYS 50 2.477 5.905 -8.151 400 HB2 LYS 50 1HB LYS 50 1.561 8.262 -7.141 401 HB3 LYS 50 2HB LYS 50 2.922 8.834 -8.084 402 HG2 LYS 50 1HG LYS 50 2.052 7.950 -10.119 403 HG3 LYS 50 2HG LYS 50 0.976 6.842 -9.291 404 HD2 LYS 50 1HD LYS 50 0.230 9.433 -8.380 405 HD3 LYS 50 2HD LYS 50 0.500 9.610 -10.102 406 HE2 LYS 50 1HE LYS 50 -1.009 7.153 -9.372 407 HE3 LYS 50 2HE LYS 50 -1.832 8.640 -8.946 408 HZ1 LYS 50 1HZ LYS 50 -0.711 8.107 -11.609 409 HZ2 LYS 50 2HZ LYS 50 -2.277 7.869 -11.211 410 HZ3 LYS 50 3HZ LYS 50 -1.647 9.375 -11.181 411 H GLY 51 H GLY 51 4.020 5.477 -9.666 412 HA2 GLY 51 1HA GLY 51 6.001 5.701 -10.785 413 HA3 GLY 51 2HA GLY 51 6.537 6.910 -9.635 414 H GLN 52 H GLN 52 6.128 5.472 -7.175 415 HA GLN 52 HA GLN 52 8.485 3.926 -7.228 416 HB2 GLN 52 1HB GLN 52 6.550 4.906 -5.183 417 HB3 GLN 52 2HB GLN 52 7.395 3.432 -4.756 418 HG2 GLN 52 1HG GLN 52 9.107 5.575 -5.942 419 HG3 GLN 52 2HG GLN 52 8.416 5.957 -4.378 420 HE21 GLN 52 1HE2 GLN 52 8.664 4.365 -2.649 421 HE22 GLN 52 2HE2 GLN 52 10.120 3.432 -2.548 422 HA PRO 53 HA PRO 53 6.826 -0.076 -7.533 423 HB2 PRO 53 1HB PRO 53 8.247 -1.577 -5.745 424 HB3 PRO 53 2HB PRO 53 8.878 -1.094 -7.307 425 HG2 PRO 53 1HG PRO 53 9.537 -0.025 -4.631 426 HG3 PRO 53 2HG PRO 53 10.436 0.130 -6.127 427 HD2 PRO 53 1HD PRO 53 8.805 2.138 -4.889 428 HD3 PRO 53 2HD PRO 53 9.610 2.253 -6.441 429 HA PRO 54 HA PRO 54 3.651 -0.558 -4.740 430 HB2 PRO 54 1HB PRO 54 2.376 -2.705 -5.850 431 HB3 PRO 54 2HB PRO 54 2.134 -1.058 -6.398 432 HG2 PRO 54 1HG PRO 54 3.678 -3.230 -7.679 433 HG3 PRO 54 2HG PRO 54 3.075 -1.745 -8.389 434 HD2 PRO 54 1HD PRO 54 5.780 -2.301 -7.611 435 HD3 PRO 54 2HD PRO 54 5.154 -0.779 -8.213 436 H VAL 55 H VAL 55 4.333 -1.022 -2.727 437 HA VAL 55 HA VAL 55 5.858 -3.243 -2.138 438 HB VAL 55 HB VAL 55 3.880 -1.904 -0.291 439 HG11 VAL 55 1HG1 VAL 55 6.638 -2.754 0.507 440 HG12 VAL 55 2HG1 VAL 55 5.137 -2.691 1.462 441 HG13 VAL 55 3HG1 VAL 55 5.393 -4.008 0.293 442 HG21 VAL 55 1HG2 VAL 55 6.261 -0.586 0.099 443 HG22 VAL 55 2HG2 VAL 55 6.231 -0.790 -1.669 444 HG23 VAL 55 3HG2 VAL 55 4.884 0.032 -0.845 445 H VAL 56 H VAL 56 2.351 -2.875 -2.590 446 HA VAL 56 HA VAL 56 2.066 -5.720 -1.909 447 HB VAL 56 HB VAL 56 -0.001 -3.512 -1.844 448 HG11 VAL 56 1HG1 VAL 56 -1.401 -5.211 -0.685 449 HG12 VAL 56 2HG1 VAL 56 -1.019 -5.650 -2.367 450 HG13 VAL 56 3HG1 VAL 56 -0.151 -6.432 -1.024 451 HG21 VAL 56 1HG2 VAL 56 0.153 -3.530 0.529 452 HG22 VAL 56 2HG2 VAL 56 1.206 -4.966 0.524 453 HG23 VAL 56 3HG2 VAL 56 1.822 -3.408 -0.078 454 H ASP 57 H ASP 57 1.109 -7.096 -3.419 455 HA ASP 57 HA ASP 57 -0.385 -6.289 -5.552 456 HB2 ASP 57 1HB ASP 57 1.570 -5.131 -6.443 457 HB3 ASP 57 2HB ASP 57 2.593 -6.527 -6.164 458 H GLY 58 H GLY 58 -1.371 -8.309 -4.803 459 HA2 GLY 58 1HA GLY 58 -0.119 -10.692 -5.937 460 HA3 GLY 58 2HA GLY 58 -0.418 -10.696 -4.211 461 H GLU 59 H GLU 59 -1.682 -12.568 -5.890 462 HA GLU 59 HA GLU 59 -4.281 -11.547 -6.505 463 HB2 GLU 59 1HB GLU 59 -3.248 -13.223 -7.977 464 HB3 GLU 59 2HB GLU 59 -3.098 -14.354 -6.647 465 HG2 GLU 59 1HG GLU 59 -5.510 -14.584 -6.452 466 HG3 GLU 59 2HG GLU 59 -5.792 -13.234 -7.532 467 H LEU 60 H LEU 60 -5.436 -10.997 -4.658 468 HA LEU 60 HA LEU 60 -5.282 -12.036 -2.188 469 HB2 LEU 60 1HB LEU 60 -7.745 -11.119 -3.675 470 HB3 LEU 60 2HB LEU 60 -7.684 -11.390 -1.945 471 HG LEU 60 HG LEU 60 -6.026 -9.362 -3.471 472 HD11 LEU 60 1HD1 LEU 60 -8.606 -9.177 -1.952 473 HD12 LEU 60 2HD1 LEU 60 -7.486 -7.793 -1.974 474 HD13 LEU 60 3HD1 LEU 60 -8.136 -8.436 -3.501 475 HD21 LEU 60 1HD2 LEU 60 -4.703 -9.956 -1.638 476 HD22 LEU 60 2HD2 LEU 60 -5.589 -8.514 -1.086 477 HD23 LEU 60 3HD2 LEU 60 -6.107 -10.133 -0.558 478 H TYR 61 H TYR 61 -6.719 -13.565 -0.969 479 HA TYR 61 HA TYR 61 -6.587 -16.109 -2.122 480 HB2 TYR 61 1HB TYR 61 -6.658 -15.259 0.357 481 HB3 TYR 61 2HB TYR 61 -8.385 -15.058 0.144 482 HD1 TYR 61 1HD TYR 61 -9.517 -17.313 -0.971 483 HD2 TYR 61 2HD TYR 61 -6.014 -17.174 1.481 484 HE1 TYR 61 1HE TYR 61 -9.875 -19.742 -0.309 485 HE2 TYR 61 2HE TYR 61 -6.384 -19.603 2.134 486 HH TYR 61 HH TYR 61 -9.255 -21.177 1.668 487 H ASN 62 H ASN 62 -9.291 -13.755 -1.736 488 HA ASN 62 HA ASN 62 -10.682 -15.212 -3.786 489 HB2 ASN 62 1HB ASN 62 -11.392 -15.979 -1.340 490 HB3 ASN 62 2HB ASN 62 -12.232 -14.442 -1.284 491 HD21 ASN 62 1HD2 ASN 62 -11.738 -17.233 -3.438 492 HD22 ASN 62 2HD2 ASN 62 -13.366 -17.357 -4.016 493 H GLU 63 H GLU 63 -12.941 -13.842 -4.146 494 HA GLU 63 HA GLU 63 -12.136 -11.299 -4.858 495 HB2 GLU 63 1HB GLU 63 -14.923 -12.484 -4.514 496 HB3 GLU 63 2HB GLU 63 -14.621 -10.925 -5.255 497 HG2 GLU 63 1HG GLU 63 -13.226 -11.979 -7.004 498 HG3 GLU 63 2HG GLU 63 -13.386 -13.543 -6.230 499 H VAL 64 H VAL 64 -12.692 -9.189 -4.022 500 HA VAL 64 HA VAL 64 -13.790 -9.185 -1.314 501 HB VAL 64 HB VAL 64 -11.984 -7.476 -0.763 502 HG11 VAL 64 1HG1 VAL 64 -12.177 -10.069 -0.178 503 HG12 VAL 64 2HG1 VAL 64 -10.685 -10.142 -1.146 504 HG13 VAL 64 3HG1 VAL 64 -10.762 -9.099 0.295 505 HG21 VAL 64 1HG2 VAL 64 -11.224 -7.208 -3.142 506 HG22 VAL 64 2HG2 VAL 64 -9.915 -7.538 -1.982 507 HG23 VAL 64 3HG2 VAL 64 -10.514 -8.837 -3.042 508 H LYS 65 H LYS 65 -15.336 -7.640 -1.080 509 HA LYS 65 HA LYS 65 -16.254 -6.191 -3.226 510 HB2 LYS 65 1HB LYS 65 -17.228 -6.775 -0.812 511 HB3 LYS 65 2HB LYS 65 -16.693 -5.144 -0.460 512 HG2 LYS 65 1HG LYS 65 -18.487 -4.290 -1.548 513 HG3 LYS 65 2HG LYS 65 -17.997 -5.087 -3.030 514 HD2 LYS 65 1HD LYS 65 -19.266 -7.063 -2.524 515 HD3 LYS 65 2HD LYS 65 -19.449 -6.618 -0.839 516 HE2 LYS 65 1HE LYS 65 -20.545 -4.715 -2.905 517 HE3 LYS 65 2HE LYS 65 -21.415 -6.214 -2.645 518 HZ1 LYS 65 1HZ LYS 65 -20.972 -5.426 -0.154 519 HZ2 LYS 65 2HZ LYS 65 -21.103 -3.973 -0.889 520 HZ3 LYS 65 3HZ LYS 65 -22.323 -5.054 -0.993 521 H VAL 66 H VAL 66 -14.977 -4.847 -4.416 522 HA VAL 66 HA VAL 66 -12.989 -3.235 -3.138 523 HB VAL 66 HB VAL 66 -12.369 -2.611 -5.315 524 HG11 VAL 66 1HG1 VAL 66 -13.448 -5.448 -5.354 525 HG12 VAL 66 2HG1 VAL 66 -12.332 -4.782 -6.570 526 HG13 VAL 66 3HG1 VAL 66 -11.820 -4.913 -4.870 527 HG21 VAL 66 1HG2 VAL 66 -15.112 -3.531 -6.239 528 HG22 VAL 66 2HG2 VAL 66 -14.507 -1.858 -6.177 529 HG23 VAL 66 3HG2 VAL 66 -13.789 -3.023 -7.315 530 H GLU 67 H GLU 67 -16.313 -2.842 -4.400 531 HA GLU 67 HA GLU 67 -16.367 -0.101 -4.486 532 HB2 GLU 67 1HB GLU 67 -18.386 -2.291 -4.229 533 HB3 GLU 67 2HB GLU 67 -18.937 -0.691 -3.773 534 HG2 GLU 67 1HG GLU 67 -17.389 -0.543 -6.245 535 HG3 GLU 67 2HG GLU 67 -18.660 -1.738 -6.408 536 H GLU 68 H GLU 68 -16.375 -2.324 -1.745 537 HA GLU 68 HA GLU 68 -17.129 -0.146 0.016 538 HB2 GLU 68 1HB GLU 68 -16.887 -3.151 0.435 539 HB3 GLU 68 2HB GLU 68 -17.132 -2.037 1.766 540 HG2 GLU 68 1HG GLU 68 -19.029 -1.373 -0.312 541 HG3 GLU 68 2HG GLU 68 -19.099 -3.105 -0.050 542 H SER 69 H SER 69 -14.390 -1.856 -1.238 543 HA SER 69 HA SER 69 -12.716 -1.752 0.968 544 HB2 SER 69 1HB SER 69 -12.103 -1.675 -2.018 545 HB3 SER 69 2HB SER 69 -10.873 -1.871 -0.785 546 HG SER 69 HG SER 69 -12.351 -3.752 -0.042 547 H SER 70 H SER 70 -11.272 -0.157 1.743 548 HA SER 70 HA SER 70 -11.125 2.302 0.240 549 HB2 SER 70 1HB SER 70 -11.974 3.708 1.917 550 HB3 SER 70 2HB SER 70 -13.068 2.341 1.989 551 HG SER 70 HG SER 70 -11.511 1.492 3.708 552 H TRP 71 H TRP 71 -9.217 3.564 0.771 553 HA TRP 71 HA TRP 71 -7.416 2.297 2.705 554 HB2 TRP 71 1HB TRP 71 -5.562 2.433 1.190 555 HB3 TRP 71 2HB TRP 71 -6.831 1.448 0.489 556 HD1 TRP 71 HD TRP 71 -7.997 2.392 -1.766 557 HE1 TRP 71 1HE TRP 71 -7.426 4.277 -3.522 558 HE3 TRP 71 3HE TRP 71 -4.537 4.756 1.113 559 HZ2 TRP 71 2HZ TRP 71 -5.631 6.495 -3.510 560 HZ3 TRP 71 3HZ TRP 71 -3.421 6.774 0.166 561 HH2 TRP 71 HH TRP 71 -3.919 7.649 -2.062 562 H LEU 72 H LEU 72 -5.715 3.850 3.453 563 HA LEU 72 HA LEU 72 -6.075 6.608 2.745 564 HB2 LEU 72 1HB LEU 72 -6.703 7.401 4.918 565 HB3 LEU 72 2HB LEU 72 -7.919 6.299 4.302 566 HG LEU 72 HG LEU 72 -7.752 5.724 6.545 567 HD11 LEU 72 1HD1 LEU 72 -7.455 3.793 4.909 568 HD12 LEU 72 2HD1 LEU 72 -5.740 3.794 5.387 569 HD13 LEU 72 3HD1 LEU 72 -7.004 3.495 6.605 570 HD21 LEU 72 1HD2 LEU 72 -5.134 6.826 6.354 571 HD22 LEU 72 2HD2 LEU 72 -6.067 6.406 7.811 572 HD23 LEU 72 3HD2 LEU 72 -4.997 5.198 7.060 573 H ILE 73 H ILE 73 -4.561 7.955 4.386 574 HA ILE 73 HA ILE 73 -2.117 6.342 4.614 575 HB ILE 73 HB ILE 73 -2.429 9.301 4.093 576 HG12 ILE 73 1HG1 ILE 73 -1.094 7.707 2.047 577 HG13 ILE 73 2HG1 ILE 73 -2.743 7.175 2.310 578 HG21 ILE 73 1HG2 ILE 73 0.123 7.698 3.951 579 HG22 ILE 73 2HG2 ILE 73 -0.091 9.465 3.966 580 HG23 ILE 73 3HG2 ILE 73 -0.405 8.517 5.440 581 HD11 ILE 73 1HD1 ILE 73 -2.003 10.108 1.931 582 HD12 ILE 73 2HD1 ILE 73 -2.465 9.036 0.587 583 HD13 ILE 73 3HD1 ILE 73 -3.629 9.386 1.887 584 H GLU 74 H GLU 74 -1.406 5.944 6.636 585 HA GLU 74 HA GLU 74 -2.714 7.320 8.779 586 HB2 GLU 74 1HB GLU 74 -1.316 4.790 8.396 587 HB3 GLU 74 2HB GLU 74 -0.691 5.613 9.811 588 HG2 GLU 74 1HG GLU 74 -3.617 5.805 9.696 589 HG3 GLU 74 2HG GLU 74 -3.097 4.133 9.633 590 H ASP 75 H ASP 75 -1.800 8.852 10.156 591 HA ASP 75 HA ASP 75 -0.496 10.535 10.637 592 HB2 ASP 75 1HB ASP 75 1.184 8.078 10.812 593 HB3 ASP 75 2HB ASP 75 2.096 9.574 10.779 594 H GLY 76 H GLY 76 -0.868 9.946 7.699 595 HA2 GLY 76 1HA GLY 76 -0.021 10.473 5.675 596 HA3 GLY 76 2HA GLY 76 0.631 11.870 6.508 597 H LYS 77 H LYS 77 1.418 8.319 6.640 598 HA LYS 77 HA LYS 77 3.953 8.783 5.391 599 HB2 LYS 77 1HB LYS 77 5.222 7.868 7.404 600 HB3 LYS 77 2HB LYS 77 4.707 9.541 7.477 601 HG2 LYS 77 1HG LYS 77 3.375 9.152 9.280 602 HG3 LYS 77 2HG LYS 77 2.608 7.779 8.508 603 HD2 LYS 77 1HD LYS 77 4.849 6.507 9.053 604 HD3 LYS 77 2HD LYS 77 5.150 7.823 10.170 605 HE2 LYS 77 1HE LYS 77 2.419 6.599 10.315 606 HE3 LYS 77 2HE LYS 77 3.740 5.569 10.830 607 HZ1 LYS 77 1HZ LYS 77 2.606 7.304 12.415 608 HZ2 LYS 77 2HZ LYS 77 4.178 6.893 12.571 609 HZ3 LYS 77 3HZ LYS 77 3.768 8.281 11.814 610 H VAL 78 H VAL 78 1.722 6.669 7.257 611 HA VAL 78 HA VAL 78 2.802 4.381 5.783 612 HB VAL 78 HB VAL 78 0.979 4.486 8.194 613 HG11 VAL 78 1HG1 VAL 78 2.571 2.069 7.443 614 HG12 VAL 78 2HG1 VAL 78 0.997 2.196 8.263 615 HG13 VAL 78 3HG1 VAL 78 1.105 2.433 6.502 616 HG21 VAL 78 1HG2 VAL 78 3.952 3.879 8.073 617 HG22 VAL 78 2HG2 VAL 78 3.236 5.400 8.658 618 HG23 VAL 78 3HG2 VAL 78 2.922 3.877 9.525 619 H VAL 79 H VAL 79 1.483 3.119 4.438 620 HA VAL 79 HA VAL 79 -1.028 4.437 3.716 621 HB VAL 79 HB VAL 79 0.950 2.695 2.280 622 HG11 VAL 79 1HG1 VAL 79 -0.669 2.613 0.362 623 HG12 VAL 79 2HG1 VAL 79 -1.139 1.624 1.765 624 HG13 VAL 79 3HG1 VAL 79 -1.933 3.190 1.475 625 HG21 VAL 79 1HG2 VAL 79 -0.267 5.427 1.848 626 HG22 VAL 79 2HG2 VAL 79 1.446 4.983 2.036 627 HG23 VAL 79 3HG2 VAL 79 0.574 4.554 0.545 628 H THR 80 H THR 80 -2.897 3.566 4.434 629 HA THR 80 HA THR 80 -2.826 0.727 5.215 630 HB THR 80 HB THR 80 -5.056 1.861 6.414 631 HG1 THR 80 1HG THR 80 -2.810 3.744 6.407 632 HG21 THR 80 1HG2 THR 80 -3.818 0.958 8.124 633 HG22 THR 80 2HG2 THR 80 -2.293 1.200 7.239 634 HG23 THR 80 3HG2 THR 80 -2.989 2.532 8.193 635 H VAL 81 H VAL 81 -4.311 -0.720 4.429 636 HA VAL 81 HA VAL 81 -6.201 0.383 2.470 637 HB VAL 81 HB VAL 81 -4.401 -2.032 2.237 638 HG11 VAL 81 1HG1 VAL 81 -7.030 -1.819 1.282 639 HG12 VAL 81 2HG1 VAL 81 -5.995 -1.465 -0.123 640 HG13 VAL 81 3HG1 VAL 81 -5.789 -2.990 0.772 641 HG21 VAL 81 1HG2 VAL 81 -3.057 -0.475 1.321 642 HG22 VAL 81 2HG2 VAL 81 -4.160 -0.565 -0.073 643 HG23 VAL 81 3HG2 VAL 81 -4.377 0.707 1.153 644 H HIS 82 H HIS 82 -8.232 0.051 3.199 645 HA HIS 82 HA HIS 82 -8.644 -2.224 4.974 646 HB2 HIS 82 1HB HIS 82 -9.392 -0.284 6.025 647 HB3 HIS 82 2HB HIS 82 -10.044 0.399 4.548 648 HD1 HIS 82 1HD HIS 82 -10.788 -2.435 7.009 649 HD2 HIS 82 2HD HIS 82 -12.738 -0.024 4.184 650 HE1 HIS 82 1HE HIS 82 -13.277 -2.960 7.217 651 H LEU 83 H LEU 83 -8.819 -3.978 3.556 652 HA LEU 83 HA LEU 83 -10.409 -3.773 1.198 653 HB2 LEU 83 1HB LEU 83 -9.090 -6.084 2.620 654 HB3 LEU 83 2HB LEU 83 -10.001 -6.260 1.133 655 HG LEU 83 HG LEU 83 -7.998 -6.029 0.152 656 HD11 LEU 83 1HD1 LEU 83 -9.109 -3.998 -0.555 657 HD12 LEU 83 2HD1 LEU 83 -8.479 -3.122 0.861 658 HD13 LEU 83 3HD1 LEU 83 -7.360 -3.708 -0.394 659 HD21 LEU 83 1HD2 LEU 83 -6.030 -5.611 1.216 660 HD22 LEU 83 2HD2 LEU 83 -6.692 -4.255 2.160 661 HD23 LEU 83 3HD2 LEU 83 -7.053 -5.932 2.636 662 H GLU 84 H GLU 84 -11.966 -6.026 1.080 663 HA GLU 84 HA GLU 84 -13.532 -6.282 3.420 664 HB2 GLU 84 1HB GLU 84 -14.237 -4.187 1.551 665 HB3 GLU 84 2HB GLU 84 -15.484 -5.417 1.510 666 HG2 GLU 84 1HG GLU 84 -14.552 -4.754 4.253 667 HG3 GLU 84 2HG GLU 84 -15.288 -3.403 3.414 668 H LYS 85 H LYS 85 -14.202 -8.385 3.405 669 HA LYS 85 HA LYS 85 -13.897 -9.927 1.042 670 HB2 LYS 85 1HB LYS 85 -14.973 -10.543 3.804 671 HB3 LYS 85 2HB LYS 85 -14.869 -11.741 2.530 672 HG2 LYS 85 1HG LYS 85 -12.439 -11.440 2.356 673 HG3 LYS 85 2HG LYS 85 -12.482 -10.083 3.464 674 HD2 LYS 85 1HD LYS 85 -13.231 -11.552 5.304 675 HD3 LYS 85 2HD LYS 85 -13.342 -12.917 4.211 676 HE2 LYS 85 1HE LYS 85 -10.875 -12.739 3.760 677 HE3 LYS 85 2HE LYS 85 -10.775 -11.400 4.885 678 HZ1 LYS 85 1HZ LYS 85 -11.458 -12.825 6.635 679 HZ2 LYS 85 2HZ LYS 85 -11.763 -14.067 5.619 680 HZ3 LYS 85 3HZ LYS 85 -10.227 -13.564 5.856 681 H ILE 86 H ILE 86 -15.378 -10.537 -0.481 682 HA ILE 86 HA ILE 86 -17.580 -9.115 -1.018 683 HB ILE 86 HB ILE 86 -16.870 -11.975 -1.573 684 HG12 ILE 86 1HG1 ILE 86 -15.568 -10.192 -2.655 685 HG13 ILE 86 2HG1 ILE 86 -16.464 -11.155 -3.812 686 HG21 ILE 86 1HG2 ILE 86 -18.759 -11.864 -3.303 687 HG22 ILE 86 2HG2 ILE 86 -19.202 -12.172 -1.607 688 HG23 ILE 86 3HG2 ILE 86 -19.425 -10.550 -2.304 689 HD11 ILE 86 1HD1 ILE 86 -16.621 -8.303 -3.324 690 HD12 ILE 86 2HD1 ILE 86 -17.407 -9.257 -4.604 691 HD13 ILE 86 3HD1 ILE 86 -18.215 -9.040 -3.033 692 H ASN 87 H ASN 87 -17.490 -12.120 1.008 693 HA ASN 87 HA ASN 87 -19.701 -11.072 2.484 694 HB2 ASN 87 1HB ASN 87 -19.933 -13.449 0.630 695 HB3 ASN 87 2HB ASN 87 -20.760 -13.549 2.172 696 HD21 ASN 87 1HD2 ASN 87 -21.290 -12.932 -0.897 697 HD22 ASN 87 2HD2 ASN 87 -22.523 -11.716 -0.843 698 H LYS 88 H LYS 88 -17.307 -11.268 3.599 699 HA LYS 88 HA LYS 88 -15.849 -12.406 4.872 700 HB2 LYS 88 1HB LYS 88 -17.142 -13.489 6.860 701 HB3 LYS 88 2HB LYS 88 -17.223 -11.758 6.602 702 HG2 LYS 88 1HG LYS 88 -19.372 -12.081 5.316 703 HG3 LYS 88 2HG LYS 88 -19.299 -13.796 5.669 704 HD2 LYS 88 1HD LYS 88 -19.399 -11.590 7.782 705 HD3 LYS 88 2HD LYS 88 -20.781 -12.532 7.259 706 HE2 LYS 88 1HE LYS 88 -18.590 -14.322 7.969 707 HE3 LYS 88 2HE LYS 88 -18.889 -13.207 9.287 708 HZ1 LYS 88 1HZ LYS 88 -21.204 -13.821 9.215 709 HZ2 LYS 88 2HZ LYS 88 -20.946 -14.839 7.964 710 HZ3 LYS 88 3HZ LYS 88 -20.281 -15.152 9.423 711 H MET 89 H MET 89 -15.095 -13.825 3.120 712 HA MET 89 HA MET 89 -16.246 -16.242 2.540 713 HB2 MET 89 1HB MET 89 -13.386 -15.179 2.482 714 HB3 MET 89 2HB MET 89 -13.718 -16.820 1.967 715 HG2 MET 89 1HG MET 89 -15.077 -14.337 0.809 716 HG3 MET 89 2HG MET 89 -13.727 -15.168 0.063 717 HE1 MET 89 1HE MET 89 -17.032 -15.859 -1.952 718 HE2 MET 89 2HE MET 89 -17.560 -15.005 -0.482 719 HE3 MET 89 3HE MET 89 -16.083 -14.487 -1.331 720 H GLU 90 H GLU 90 -13.132 -15.981 4.389 721 HA GLU 90 HA GLU 90 -14.169 -17.509 6.528 722 HB2 GLU 90 1HB GLU 90 -12.377 -19.383 6.117 723 HB3 GLU 90 2HB GLU 90 -13.915 -19.474 5.283 724 HG2 GLU 90 1HG GLU 90 -12.126 -17.842 3.698 725 HG3 GLU 90 2HG GLU 90 -11.278 -19.312 4.138 726 H TRP 91 H TRP 91 -11.876 -18.442 7.742 727 HA TRP 91 HA TRP 91 -10.552 -15.973 8.363 728 HB2 TRP 91 1HB TRP 91 -10.961 -17.194 10.257 729 HB3 TRP 91 2HB TRP 91 -10.637 -18.734 9.486 730 HD1 TRP 91 HD TRP 91 -8.477 -19.781 10.493 731 HE1 TRP 91 1HE TRP 91 -6.122 -19.002 11.393 732 HE3 TRP 91 3HE TRP 91 -9.247 -14.812 9.738 733 HZ2 TRP 91 2HZ TRP 91 -4.874 -16.452 11.682 734 HZ3 TRP 91 3HZ TRP 91 -7.409 -13.245 10.356 735 HH2 TRP 91 HH TRP 91 -5.281 -13.994 11.297 736 H TRP 92 H TRP 92 -9.541 -15.528 6.268 737 HA TRP 92 HA TRP 92 -8.043 -17.150 4.739 738 HB2 TRP 92 1HB TRP 92 -7.611 -14.267 5.506 739 HB3 TRP 92 2HB TRP 92 -6.604 -15.079 4.324 740 HD1 TRP 92 HD TRP 92 -10.243 -16.127 4.169 741 HE1 TRP 92 1HE TRP 92 -11.484 -15.113 2.073 742 HE3 TRP 92 3HE TRP 92 -6.541 -12.886 2.886 743 HZ2 TRP 92 2HZ TRP 92 -10.794 -13.114 0.156 744 HZ3 TRP 92 3HZ TRP 92 -6.904 -11.440 0.889 745 HH2 TRP 92 HH TRP 92 -8.942 -11.517 -0.458 746 H ASN 93 H ASN 93 -5.779 -17.779 4.674 747 HA ASN 93 HA ASN 93 -4.628 -17.820 7.350 748 HB2 ASN 93 1HB ASN 93 -4.968 -19.863 5.257 749 HB3 ASN 93 2HB ASN 93 -3.285 -19.730 5.727 750 HD21 ASN 93 1HD2 ASN 93 -6.526 -20.481 6.736 751 HD22 ASN 93 2HD2 ASN 93 -6.155 -21.239 8.248 752 H ARG 94 H ARG 94 -4.470 -16.279 4.381 753 HA ARG 94 HA ARG 94 -1.800 -15.441 4.877 754 HB2 ARG 94 1HB ARG 94 -1.697 -15.973 2.090 755 HB3 ARG 94 2HB ARG 94 -0.771 -16.773 3.344 756 HG2 ARG 94 1HG ARG 94 -1.842 -18.642 2.519 757 HG3 ARG 94 2HG ARG 94 -3.086 -18.142 3.647 758 HD2 ARG 94 1HD ARG 94 -3.058 -17.977 0.654 759 HD3 ARG 94 2HD ARG 94 -4.393 -18.323 1.735 760 HE ARG 94 HE ARG 94 -3.999 -15.727 2.342 761 HH11 ARG 94 2HH2 ARG 94 -4.015 -17.298 -0.807 762 HH12 ARG 94 1HH2 ARG 94 -4.570 -15.889 -1.649 763 HH21 ARG 94 2HH1 ARG 94 -4.732 -13.869 1.232 764 HH22 ARG 94 1HH1 ARG 94 -4.980 -13.926 -0.482 765 H LEU 95 H LEU 95 -1.236 -13.507 3.503 766 HA LEU 95 HA LEU 95 -3.506 -11.867 3.140 767 HB2 LEU 95 1HB LEU 95 -1.431 -10.957 3.907 768 HB3 LEU 95 2HB LEU 95 -0.581 -11.527 2.485 769 HG LEU 95 HG LEU 95 -1.095 -9.057 2.567 770 HD11 LEU 95 1HD1 LEU 95 -2.435 -9.888 0.097 771 HD12 LEU 95 2HD1 LEU 95 -0.902 -9.018 0.342 772 HD13 LEU 95 3HD1 LEU 95 -0.942 -10.795 0.440 773 HD21 LEU 95 1HD2 LEU 95 -3.281 -8.985 3.474 774 HD22 LEU 95 2HD2 LEU 95 -3.419 -8.432 1.787 775 HD23 LEU 95 3HD2 LEU 95 -3.918 -10.083 2.226 776 H VAL 96 H VAL 96 -1.187 -13.473 0.866 777 HA VAL 96 HA VAL 96 -3.303 -13.363 -1.142 778 HB VAL 96 HB VAL 96 -1.866 -11.417 -1.510 779 HG11 VAL 96 1HG1 VAL 96 0.492 -11.709 -2.183 780 HG12 VAL 96 2HG1 VAL 96 0.206 -12.235 -0.507 781 HG13 VAL 96 3HG1 VAL 96 0.378 -13.444 -1.802 782 HG21 VAL 96 1HG2 VAL 96 -2.183 -13.628 -3.440 783 HG22 VAL 96 2HG2 VAL 96 -2.610 -11.905 -3.582 784 HG23 VAL 96 3HG2 VAL 96 -0.936 -12.435 -3.875 785 H THR 97 H THR 97 -3.134 -15.057 -2.747 786 HA THR 97 HA THR 97 -2.382 -17.506 -1.756 787 HB THR 97 HB THR 97 -2.638 -18.206 -4.172 788 HG1 THR 97 1HG THR 97 -1.709 -16.440 -5.269 789 HG21 THR 97 1HG2 THR 97 -4.690 -17.517 -2.713 790 HG22 THR 97 2HG2 THR 97 -4.628 -15.968 -3.588 791 HG23 THR 97 3HG2 THR 97 -4.911 -17.483 -4.479 792 H SER 98 H SER 98 -0.386 -15.035 -3.314 793 HA SER 98 HA SER 98 1.919 -16.404 -2.459 794 HB2 SER 98 1HB SER 98 1.052 -17.354 -4.874 795 HB3 SER 98 2HB SER 98 2.043 -16.017 -5.421 796 HG SER 98 HG SER 98 3.287 -17.516 -3.421 797 H ASP 99 H ASP 99 3.807 -15.006 -2.571 798 HA ASP 99 HA ASP 99 3.069 -12.274 -2.729 799 HB2 ASP 99 1HB ASP 99 5.663 -12.044 -2.304 800 HB3 ASP 99 2HB ASP 99 4.631 -12.661 -1.029 801 HA PRO 100 HA PRO 100 4.683 -11.535 -6.739 802 HB2 PRO 100 1HB PRO 100 5.589 -8.962 -6.586 803 HB3 PRO 100 2HB PRO 100 3.896 -9.372 -6.777 804 HG2 PRO 100 1HG PRO 100 5.311 -8.414 -4.364 805 HG3 PRO 100 2HG PRO 100 3.591 -8.421 -4.698 806 HD2 PRO 100 1HD PRO 100 5.017 -10.237 -2.995 807 HD3 PRO 100 2HD PRO 100 3.318 -10.314 -3.420 808 H GLU 101 H GLU 101 7.049 -9.457 -5.243 809 HA GLU 101 HA GLU 101 9.035 -11.504 -5.720 810 HB2 GLU 101 1HB GLU 101 8.980 -8.774 -7.047 811 HB3 GLU 101 2HB GLU 101 10.492 -9.623 -6.799 812 HG2 GLU 101 1HG GLU 101 8.948 -11.637 -7.883 813 HG3 GLU 101 2HG GLU 101 8.260 -10.236 -8.680 814 H ILE 102 H ILE 102 8.772 -7.964 -4.891 815 HA ILE 102 HA ILE 102 9.615 -6.784 -3.225 816 HB ILE 102 HB ILE 102 9.157 -9.344 -1.691 817 HG12 ILE 102 1HG1 ILE 102 7.348 -6.928 -1.837 818 HG13 ILE 102 2HG1 ILE 102 7.211 -8.261 -2.966 819 HG21 ILE 102 1HG2 ILE 102 8.970 -7.767 0.275 820 HG22 ILE 102 2HG2 ILE 102 10.610 -8.020 -0.367 821 HG23 ILE 102 3HG2 ILE 102 9.724 -6.526 -0.754 822 HD11 ILE 102 1HD1 ILE 102 5.896 -8.184 -0.582 823 HD12 ILE 102 2HD1 ILE 102 6.363 -9.703 -1.384 824 HD13 ILE 102 3HD1 ILE 102 7.377 -9.035 -0.083 825 H ASN 103 H ASN 103 11.514 -6.516 -1.673 826 HA ASN 103 HA ASN 103 13.583 -8.402 -1.816 827 HB2 ASN 103 1HB ASN 103 13.418 -6.564 -4.027 828 HB3 ASN 103 2HB ASN 103 14.768 -6.038 -3.041 829 HD21 ASN 103 1HD2 ASN 103 13.602 -8.288 -5.293 830 HD22 ASN 103 2HD2 ASN 103 14.963 -9.356 -5.371 831 H THR 104 H THR 104 12.042 -6.764 0.116 832 HA THR 104 HA THR 104 14.177 -5.004 1.129 833 HB THR 104 HB THR 104 12.251 -3.799 2.249 834 HG1 THR 104 1HG THR 104 10.956 -5.910 2.027 835 HG21 THR 104 1HG2 THR 104 11.268 -3.970 -0.565 836 HG22 THR 104 2HG2 THR 104 11.764 -2.540 0.373 837 HG23 THR 104 3HG2 THR 104 12.994 -3.563 -0.407 838 H LYS 105 H LYS 105 15.013 -5.340 3.129 839 HA LYS 105 HA LYS 105 15.549 -6.494 4.937 840 HB2 LYS 105 1HB LYS 105 13.302 -5.370 5.534 841 HB3 LYS 105 2HB LYS 105 12.604 -6.971 5.398 842 HG2 LYS 105 1HG LYS 105 13.744 -7.791 7.262 843 HG3 LYS 105 2HG LYS 105 15.114 -6.722 7.035 844 HD2 LYS 105 1HD LYS 105 12.358 -5.750 7.922 845 HD3 LYS 105 2HD LYS 105 13.635 -6.176 9.044 846 HE2 LYS 105 1HE LYS 105 15.131 -4.473 7.842 847 HE3 LYS 105 2HE LYS 105 13.716 -3.964 6.941 848 HZ1 LYS 105 1HZ LYS 105 12.682 -3.716 9.243 849 HZ2 LYS 105 2HZ LYS 105 14.215 -3.730 9.805 850 HZ3 LYS 105 3HZ LYS 105 13.743 -2.577 8.748 851 H LYS 106 H LYS 106 15.149 -8.733 6.179 852 HA LYS 106 HA LYS 106 15.475 -10.715 4.126 853 HB2 LYS 106 1HB LYS 106 15.759 -10.713 7.134 854 HB3 LYS 106 2HB LYS 106 15.874 -12.186 6.193 855 HG2 LYS 106 1HG LYS 106 18.115 -11.535 6.221 856 HG3 LYS 106 2HG LYS 106 17.592 -10.789 4.723 857 HD2 LYS 106 1HD LYS 106 17.384 -8.617 5.750 858 HD3 LYS 106 2HD LYS 106 17.468 -9.286 7.367 859 HE2 LYS 106 1HE LYS 106 19.664 -8.560 7.164 860 HE3 LYS 106 2HE LYS 106 19.853 -10.179 6.519 861 HZ1 LYS 106 1HZ LYS 106 20.585 -9.189 4.706 862 HZ2 LYS 106 2HZ LYS 106 19.065 -8.679 4.399 863 HZ3 LYS 106 3HZ LYS 106 20.109 -7.705 5.192 864 H ILE 107 H ILE 107 14.413 -13.027 5.211 865 HA ILE 107 HA ILE 107 11.846 -13.014 4.286 866 HB ILE 107 HB ILE 107 13.274 -14.796 6.245 867 HG12 ILE 107 1HG1 ILE 107 12.839 -16.283 4.040 868 HG13 ILE 107 2HG1 ILE 107 12.887 -14.698 3.295 869 HG21 ILE 107 1HG2 ILE 107 11.458 -16.438 5.906 870 HG22 ILE 107 2HG2 ILE 107 10.923 -14.983 6.780 871 HG23 ILE 107 3HG2 ILE 107 10.513 -15.189 5.060 872 HD11 ILE 107 1HD1 ILE 107 15.123 -14.396 3.744 873 HD12 ILE 107 2HD1 ILE 107 15.021 -15.216 5.321 874 HD13 ILE 107 3HD1 ILE 107 15.118 -16.174 3.824 875 H ASN 108 H ASN 108 12.790 -13.079 7.801 876 HA ASN 108 HA ASN 108 10.143 -12.337 8.504 877 HB2 ASN 108 1HB ASN 108 11.933 -13.768 9.841 878 HB3 ASN 108 2HB ASN 108 12.545 -12.214 10.373 879 HD21 ASN 108 1HD2 ASN 108 11.677 -11.309 12.082 880 HD22 ASN 108 2HD2 ASN 108 10.161 -11.708 12.818 881 HA PRO 109 HA PRO 109 10.974 -8.023 8.519 882 HB2 PRO 109 1HB PRO 109 8.844 -7.121 9.975 883 HB3 PRO 109 2HB PRO 109 8.742 -7.513 8.270 884 HG2 PRO 109 1HG PRO 109 7.743 -9.052 10.589 885 HG3 PRO 109 2HG PRO 109 7.294 -9.194 8.901 886 HD2 PRO 109 1HD PRO 109 9.021 -10.950 10.372 887 HD3 PRO 109 2HD PRO 109 8.664 -11.025 8.658 888 H GLU 110 H GLU 110 9.866 -9.091 11.706 889 HA GLU 110 HA GLU 110 10.706 -8.789 13.686 890 HB2 GLU 110 1HB GLU 110 12.866 -9.543 12.379 891 HB3 GLU 110 2HB GLU 110 13.371 -7.876 12.572 892 HG2 GLU 110 1HG GLU 110 13.508 -8.036 14.915 893 HG3 GLU 110 2HG GLU 110 12.340 -9.339 15.004 894 H ASN 111 H ASN 111 9.696 -7.092 14.686 895 HA ASN 111 HA ASN 111 10.982 -4.701 15.028 896 HB2 ASN 111 1HB ASN 111 10.147 -4.517 12.523 897 HB3 ASN 111 2HB ASN 111 8.560 -4.285 13.228 898 HD21 ASN 111 1HD2 ASN 111 8.150 -2.214 12.893 899 HD22 ASN 111 2HD2 ASN 111 9.114 -0.876 13.421 900 H SER 112 H SER 112 9.548 -3.168 16.341 901 HA SER 112 HA SER 112 6.909 -3.777 16.888 902 HB2 SER 112 1HB SER 112 8.902 -5.309 18.449 903 HB3 SER 112 2HB SER 112 7.771 -4.428 19.457 904 HG SER 112 HG SER 112 7.082 -6.635 18.822 905 H LYS 113 H LYS 113 6.645 -1.517 16.833 906 HA LYS 113 HA LYS 113 8.251 0.025 18.729 907 HB2 LYS 113 1HB LYS 113 6.646 0.805 16.284 908 HB3 LYS 113 2HB LYS 113 7.282 1.981 17.416 909 HG2 LYS 113 1HG LYS 113 9.357 0.049 16.701 910 HG3 LYS 113 2HG LYS 113 8.663 0.751 15.253 911 HD2 LYS 113 1HD LYS 113 9.346 2.927 15.802 912 HD3 LYS 113 2HD LYS 113 9.338 2.614 17.526 913 HE2 LYS 113 1HE LYS 113 11.286 0.834 16.591 914 HE3 LYS 113 2HE LYS 113 11.516 2.232 15.559 915 HZ1 LYS 113 1HZ LYS 113 12.423 1.976 18.078 916 HZ2 LYS 113 2HZ LYS 113 12.315 3.381 17.253 917 HZ3 LYS 113 3HZ LYS 113 11.122 2.943 18.278 918 H LEU 114 H LEU 114 7.393 0.547 20.662 919 HA LEU 114 HA LEU 114 4.459 0.587 20.821 920 HB2 LEU 114 1HB LEU 114 6.518 -0.713 22.492 921 HB3 LEU 114 2HB LEU 114 5.256 0.126 23.372 922 HG LEU 114 HG LEU 114 4.591 -1.866 21.205 923 HD11 LEU 114 1HD1 LEU 114 4.216 -3.372 23.368 924 HD12 LEU 114 2HD1 LEU 114 5.760 -3.343 22.482 925 HD13 LEU 114 3HD1 LEU 114 5.571 -2.387 23.972 926 HD21 LEU 114 1HD2 LEU 114 2.989 -0.119 22.505 927 HD22 LEU 114 2HD2 LEU 114 2.450 -1.699 21.886 928 HD23 LEU 114 3HD2 LEU 114 2.890 -1.518 23.602 929 H SER 115 H SER 115 4.199 2.800 20.413 930 HA SER 115 HA SER 115 4.857 4.431 22.653 931 HB2 SER 115 1HB SER 115 6.430 4.567 20.162 932 HB3 SER 115 2HB SER 115 5.716 6.112 20.582 933 HG SER 115 HG SER 115 7.924 5.461 21.528 934 H ASP 116 H ASP 116 3.921 4.613 19.134 935 HA ASP 116 HA ASP 116 2.165 6.709 19.468 936 HB2 ASP 116 1HB ASP 116 2.730 4.628 17.415 937 HB3 ASP 116 2HB ASP 116 1.102 5.271 17.346 938 H LEU 117 H LEU 117 0.789 6.271 21.331 939 HA LEU 117 HA LEU 117 -0.652 3.849 21.565 940 HB2 LEU 117 1HB LEU 117 -1.349 4.662 23.548 941 HB3 LEU 117 2HB LEU 117 0.063 5.672 23.311 942 HG LEU 117 HG LEU 117 -2.822 6.454 22.820 943 HD11 LEU 117 1HD1 LEU 117 -0.908 7.693 24.794 944 HD12 LEU 117 2HD1 LEU 117 -2.683 7.812 24.722 945 HD13 LEU 117 3HD1 LEU 117 -1.913 6.283 25.208 946 HD21 LEU 117 1HD2 LEU 117 -2.106 8.596 22.112 947 HD22 LEU 117 2HD2 LEU 117 -0.413 8.259 22.544 948 HD23 LEU 117 3HD2 LEU 117 -1.164 7.418 21.167 949 H ASP 118 H ASP 118 -3.181 3.956 21.775 950 HA ASP 118 HA ASP 118 -4.109 5.391 19.411 951 HB2 ASP 118 1HB ASP 118 -5.886 3.535 19.335 952 HB3 ASP 118 2HB ASP 118 -4.253 3.060 18.913 953 H SER 119 H SER 119 -6.715 5.591 19.580 954 HA SER 119 HA SER 119 -7.354 6.210 22.357 955 HB2 SER 119 1HB SER 119 -8.393 7.829 20.005 956 HB3 SER 119 2HB SER 119 -8.439 8.249 21.706 957 HG SER 119 HG SER 119 -5.843 7.782 20.776 958 H GLU 120 H GLU 120 -10.042 7.238 21.045 959 HA GLU 120 HA GLU 120 -11.116 4.713 20.167 960 HB2 GLU 120 1HB GLU 120 -12.991 4.825 21.826 961 HB3 GLU 120 2HB GLU 120 -11.432 4.539 22.573 962 HG2 GLU 120 1HG GLU 120 -11.687 6.392 23.850 963 HG3 GLU 120 2HG GLU 120 -11.764 7.387 22.410 964 H THR 121 H THR 121 -11.425 5.765 18.130 965 HA THR 121 HA THR 121 -13.792 7.433 18.068 966 HB THR 121 HB THR 121 -11.955 9.083 18.368 967 HG1 THR 121 1HG THR 121 -13.581 9.749 16.903 968 HG21 THR 121 1HG2 THR 121 -10.188 9.309 16.690 969 HG22 THR 121 2HG2 THR 121 -10.113 7.647 17.323 970 HG23 THR 121 3HG2 THR 121 -10.860 7.963 15.738 971 H ARG 122 H ARG 122 -14.819 7.489 16.002 972 HA ARG 122 HA ARG 122 -13.608 6.118 13.858 973 HB2 ARG 122 1HB ARG 122 -15.233 4.238 13.720 974 HB3 ARG 122 2HB ARG 122 -14.306 4.150 15.204 975 HG2 ARG 122 1HG ARG 122 -16.219 4.207 16.415 976 HG3 ARG 122 2HG ARG 122 -16.595 5.788 15.760 977 HD2 ARG 122 1HD ARG 122 -18.330 4.873 14.618 978 HD3 ARG 122 2HD ARG 122 -17.190 3.938 13.672 979 HE ARG 122 HE ARG 122 -17.403 2.507 16.049 980 HH11 ARG 122 2HH2 ARG 122 -19.697 3.659 13.642 981 HH12 ARG 122 1HH2 ARG 122 -20.821 2.368 13.909 982 HH21 ARG 122 2HH1 ARG 122 -18.886 0.804 16.402 983 HH22 ARG 122 1HH1 ARG 122 -20.356 0.734 15.490 984 H SER 123 H SER 123 -14.902 6.338 11.874 985 HA SER 123 HA SER 123 -16.238 7.395 10.530 986 HB2 SER 123 1HB SER 123 -17.913 6.093 12.213 987 HB3 SER 123 2HB SER 123 -18.432 7.732 12.553 988 HG SER 123 HG SER 123 -19.581 6.603 10.759 989 H MET 124 H MET 124 -17.390 9.547 10.078 990 HA MET 124 HA MET 124 -17.551 11.548 11.936 991 HB2 MET 124 1HB MET 124 -14.875 10.978 11.545 992 HB3 MET 124 2HB MET 124 -15.114 12.174 10.287 993 HG2 MET 124 1HG MET 124 -16.432 13.223 12.588 994 HG3 MET 124 2HG MET 124 -14.917 12.567 13.175 995 HE1 MET 124 1HE MET 124 -16.527 15.675 11.571 996 HE2 MET 124 2HE MET 124 -15.883 15.487 13.220 997 HE3 MET 124 3HE MET 124 -15.098 16.607 12.081 998 H VAL 125 H VAL 125 -19.462 11.642 10.517 999 HA VAL 125 HA VAL 125 -19.186 13.638 8.544 1000 HB VAL 125 HB VAL 125 -18.292 11.724 7.277 1001 HG11 VAL 125 1HG1 VAL 125 -21.052 10.518 7.669 1002 HG12 VAL 125 2HG1 VAL 125 -19.768 9.874 6.618 1003 HG13 VAL 125 3HG1 VAL 125 -19.535 9.919 8.382 1004 HG21 VAL 125 1HG2 VAL 125 -19.096 12.898 5.559 1005 HG22 VAL 125 2HG2 VAL 125 -20.573 11.907 5.629 1006 HG23 VAL 125 3HG2 VAL 125 -20.489 13.445 6.522 1007 H SER 126 H SER 126 -21.035 14.798 8.712 1008 HA SER 126 HA SER 126 -23.539 13.607 8.659 1009 HB2 SER 126 1HB SER 126 -23.081 12.887 10.950 1010 HB3 SER 126 2HB SER 126 -22.581 14.502 11.410 1011 HG SER 126 HG SER 126 -24.737 15.254 11.120 1012 H GLY 127 H GLY 127 -25.059 15.196 8.097 1013 HA2 GLY 127 1HA GLY 127 -24.871 17.902 8.909 1014 HA3 GLY 127 2HA GLY 127 -24.183 17.712 7.309 1015 HA PRO 128 HA PRO 128 -28.807 16.587 7.143 1016 HB2 PRO 128 1HB PRO 128 -30.394 17.382 9.221 1017 HB3 PRO 128 2HB PRO 128 -29.755 15.757 9.070 1018 HG2 PRO 128 1HG PRO 128 -28.891 17.928 10.881 1019 HG3 PRO 128 2HG PRO 128 -28.572 16.209 10.998 1020 HD2 PRO 128 1HD PRO 128 -26.745 18.237 10.116 1021 HD3 PRO 128 2HD PRO 128 -26.466 16.507 10.124 1022 H SER 129 H SER 129 -31.021 17.906 6.996 1023 HA SER 129 HA SER 129 -30.169 20.667 6.630 1024 HB2 SER 129 1HB SER 129 -31.105 20.800 4.469 1025 HB3 SER 129 2HB SER 129 -30.312 19.237 4.465 1026 HG SER 129 HG SER 129 -32.606 18.502 5.284 1027 H SER 130 H SER 130 -32.021 22.239 6.658 1028 HA SER 130 HA SER 130 -34.605 21.534 7.148 1029 HB2 SER 130 1HB SER 130 -34.027 20.457 9.211 1030 HB3 SER 130 2HB SER 130 -32.936 21.748 9.677 1031 HG SER 130 HG SER 130 -35.677 22.418 9.242 1032 H GLY 131 H GLY 131 -35.919 23.437 7.358 1033 HA2 GLY 131 1HA GLY 131 -34.526 25.971 7.850 1034 HA3 GLY 131 2HA GLY 131 -35.301 25.738 6.296 Start of MODEL 16 1 H1 GLY 1 H GLY 1 12.683 -15.182 21.206 2 HA2 GLY 1 1HA GLY 1 12.751 -12.788 22.181 3 HA3 GLY 1 2HA GLY 1 13.504 -12.415 20.643 4 H SER 2 H SER 2 11.855 -11.158 19.729 5 HA SER 2 HA SER 2 9.177 -12.103 19.813 6 HB2 SER 2 1HB SER 2 10.416 -9.812 18.222 7 HB3 SER 2 2HB SER 2 8.698 -10.083 18.434 8 HG SER 2 HG SER 2 9.741 -10.095 20.907 9 H SER 3 H SER 3 9.083 -14.109 18.698 10 HA SER 3 HA SER 3 10.385 -14.735 16.409 11 HB2 SER 3 1HB SER 3 7.540 -15.611 17.060 12 HB3 SER 3 2HB SER 3 8.719 -16.493 16.110 13 HG SER 3 HG SER 3 8.545 -16.155 18.929 14 H GLY 4 H GLY 4 9.262 -15.150 14.162 15 HA2 GLY 4 1HA GLY 4 7.445 -12.927 13.490 16 HA3 GLY 4 2HA GLY 4 8.934 -13.159 12.596 17 H SER 5 H SER 5 6.571 -13.249 11.179 18 HA SER 5 HA SER 5 6.389 -16.100 10.610 19 HB2 SER 5 1HB SER 5 3.969 -15.695 9.975 20 HB3 SER 5 2HB SER 5 4.306 -15.557 11.690 21 HG SER 5 HG SER 5 4.262 -13.277 11.532 22 H SER 6 H SER 6 7.168 -16.476 8.571 23 HA SER 6 HA SER 6 8.070 -14.671 6.862 24 HB2 SER 6 1HB SER 6 8.205 -17.207 6.693 25 HB3 SER 6 2HB SER 6 6.610 -17.194 5.968 26 HG SER 6 HG SER 6 8.119 -17.193 4.278 27 H GLY 7 H GLY 7 7.024 -12.802 6.224 28 HA2 GLY 7 1HA GLY 7 4.497 -13.131 4.761 29 HA3 GLY 7 2HA GLY 7 4.558 -12.008 6.105 30 HA PRO 8 HA PRO 8 5.983 -9.772 2.405 31 HB2 PRO 8 1HB PRO 8 4.128 -7.766 2.428 32 HB3 PRO 8 2HB PRO 8 3.955 -9.220 1.465 33 HG2 PRO 8 1HG PRO 8 2.568 -8.480 3.968 34 HG3 PRO 8 2HG PRO 8 2.122 -9.692 2.783 35 HD2 PRO 8 1HD PRO 8 3.331 -10.158 5.342 36 HD3 PRO 8 2HD PRO 8 2.991 -11.356 4.110 37 H ASN 9 H ASN 9 5.928 -6.997 2.357 38 HA ASN 9 HA ASN 9 7.680 -6.587 4.625 39 HB2 ASN 9 1HB ASN 9 7.988 -5.962 1.950 40 HB3 ASN 9 2HB ASN 9 7.358 -4.442 2.555 41 HD21 ASN 9 1HD2 ASN 9 9.252 -3.341 2.258 42 HD22 ASN 9 2HD2 ASN 9 10.665 -3.564 3.234 43 H TYR 10 H TYR 10 4.596 -6.578 4.612 44 HA TYR 10 HA TYR 10 4.303 -4.016 5.955 45 HB2 TYR 10 1HB TYR 10 2.177 -3.655 4.612 46 HB3 TYR 10 2HB TYR 10 3.591 -3.662 3.578 47 HD1 TYR 10 1HD TYR 10 0.805 -5.824 4.797 48 HD2 TYR 10 2HD TYR 10 3.762 -5.176 1.774 49 HE1 TYR 10 1HE TYR 10 -0.233 -7.661 3.378 50 HE2 TYR 10 2HE TYR 10 2.714 -7.014 0.365 51 HH TYR 10 HH TYR 10 1.336 -8.791 0.465 52 H ARG 11 H ARG 11 2.196 -3.925 7.199 53 HA ARG 11 HA ARG 11 1.720 -6.576 8.232 54 HB2 ARG 11 1HB ARG 11 0.808 -3.860 9.311 55 HB3 ARG 11 2HB ARG 11 0.677 -5.389 10.158 56 HG2 ARG 11 1HG ARG 11 2.835 -5.283 10.867 57 HG3 ARG 11 2HG ARG 11 3.425 -4.975 9.246 58 HD2 ARG 11 1HD ARG 11 2.229 -2.545 9.867 59 HD3 ARG 11 2HD ARG 11 2.827 -3.050 11.435 60 HE ARG 11 HE ARG 11 4.432 -2.161 9.202 61 HH11 ARG 11 2HH2 ARG 11 4.450 -4.415 11.904 62 HH12 ARG 11 1HH2 ARG 11 6.178 -4.449 12.029 63 HH21 ARG 11 2HH1 ARG 11 6.710 -2.206 9.367 64 HH22 ARG 11 1HH1 ARG 11 7.472 -3.184 10.576 65 H TRP 12 H TRP 12 -0.386 -7.530 8.310 66 HA TRP 12 HA TRP 12 -2.638 -6.003 7.352 67 HB2 TRP 12 1HB TRP 12 -3.137 -7.279 5.447 68 HB3 TRP 12 2HB TRP 12 -1.465 -6.782 5.282 69 HD1 TRP 12 HD TRP 12 0.372 -8.739 5.190 70 HE1 TRP 12 1HE TRP 12 0.332 -11.372 5.010 71 HE3 TRP 12 3HE TRP 12 -4.568 -9.262 6.276 72 HZ2 TRP 12 2HZ TRP 12 -1.715 -13.333 5.334 73 HZ3 TRP 12 3HZ TRP 12 -5.508 -11.570 6.323 74 HH2 TRP 12 HH TRP 12 -4.168 -13.564 5.875 75 H THR 13 H THR 13 -4.577 -6.895 8.160 76 HA THR 13 HA THR 13 -4.344 -9.493 9.505 77 HB THR 13 HB THR 13 -5.473 -8.493 11.490 78 HG1 THR 13 1HG THR 13 -5.033 -6.057 9.912 79 HG21 THR 13 1HG2 THR 13 -3.119 -6.733 10.628 80 HG22 THR 13 2HG2 THR 13 -3.693 -6.991 12.293 81 HG23 THR 13 3HG2 THR 13 -2.939 -8.329 11.394 82 H GLN 14 H GLN 14 -6.946 -9.528 10.589 83 HA GLN 14 HA GLN 14 -8.881 -8.740 8.791 84 HB2 GLN 14 1HB GLN 14 -9.418 -10.798 7.598 85 HB3 GLN 14 2HB GLN 14 -7.755 -10.363 7.257 86 HG2 GLN 14 1HG GLN 14 -8.267 -12.187 9.603 87 HG3 GLN 14 2HG GLN 14 -8.453 -12.861 7.996 88 HE21 GLN 14 1HE2 GLN 14 -6.733 -13.976 7.496 89 HE22 GLN 14 2HE2 GLN 14 -5.079 -13.509 7.708 90 H THR 15 H THR 15 -11.028 -9.436 9.484 91 HA THR 15 HA THR 15 -10.997 -10.992 11.982 92 HB THR 15 HB THR 15 -11.152 -8.523 12.428 93 HG1 THR 15 1HG THR 15 -13.643 -10.069 12.626 94 HG21 THR 15 1HG2 THR 15 -13.083 -8.681 10.221 95 HG22 THR 15 2HG2 THR 15 -13.849 -8.036 11.692 96 HG23 THR 15 3HG2 THR 15 -12.410 -7.237 11.014 97 H LEU 16 H LEU 16 -11.356 -12.549 9.955 98 HA LEU 16 HA LEU 16 -12.769 -13.723 8.685 99 HB2 LEU 16 1HB LEU 16 -14.183 -13.524 11.337 100 HB3 LEU 16 2HB LEU 16 -14.764 -14.551 10.042 101 HG LEU 16 HG LEU 16 -13.087 -15.362 12.002 102 HD11 LEU 16 1HD1 LEU 16 -14.323 -16.777 10.411 103 HD12 LEU 16 2HD1 LEU 16 -13.090 -16.445 9.171 104 HD13 LEU 16 3HD1 LEU 16 -12.648 -17.331 10.650 105 HD21 LEU 16 1HD2 LEU 16 -11.289 -14.609 9.681 106 HD22 LEU 16 2HD2 LEU 16 -11.246 -13.937 11.329 107 HD23 LEU 16 3HD2 LEU 16 -10.827 -15.645 11.053 108 H ALA 17 H ALA 17 -12.971 -10.788 8.362 109 HA ALA 17 HA ALA 17 -15.358 -10.776 6.832 110 HB1 ALA 17 1HB ALA 17 -15.779 -8.516 8.503 111 HB2 ALA 17 2HB ALA 17 -16.806 -9.961 8.343 112 HB3 ALA 17 3HB ALA 17 -15.530 -9.909 9.583 113 H GLU 18 H GLU 18 -13.889 -7.994 8.578 114 HA GLU 18 HA GLU 18 -13.193 -6.884 6.038 115 HB2 GLU 18 1HB GLU 18 -12.640 -5.730 8.802 116 HB3 GLU 18 2HB GLU 18 -12.696 -4.855 7.285 117 HG2 GLU 18 1HG GLU 18 -14.985 -4.739 7.289 118 HG3 GLU 18 2HG GLU 18 -15.167 -6.400 7.816 119 H LEU 19 H LEU 19 -10.990 -6.042 5.546 120 HA LEU 19 HA LEU 19 -8.923 -7.615 6.919 121 HB2 LEU 19 1HB LEU 19 -9.706 -7.563 4.126 122 HB3 LEU 19 2HB LEU 19 -8.025 -7.109 4.326 123 HG LEU 19 HG LEU 19 -8.871 -9.509 5.843 124 HD11 LEU 19 1HD1 LEU 19 -8.772 -10.978 3.862 125 HD12 LEU 19 2HD1 LEU 19 -10.170 -9.876 3.831 126 HD13 LEU 19 3HD1 LEU 19 -8.748 -9.539 2.815 127 HD21 LEU 19 1HD2 LEU 19 -6.552 -9.427 3.966 128 HD22 LEU 19 2HD2 LEU 19 -6.500 -8.396 5.417 129 HD23 LEU 19 3HD2 LEU 19 -6.700 -10.157 5.583 130 H ASP 20 H ASP 20 -7.270 -6.450 7.772 131 HA ASP 20 HA ASP 20 -7.283 -3.624 7.108 132 HB2 ASP 20 1HB ASP 20 -6.929 -5.163 9.544 133 HB3 ASP 20 2HB ASP 20 -5.476 -4.225 9.262 134 H LEU 21 H LEU 21 -5.275 -2.591 6.457 135 HA LEU 21 HA LEU 21 -2.892 -4.215 6.309 136 HB2 LEU 21 1HB LEU 21 -3.773 -4.955 4.291 137 HB3 LEU 21 2HB LEU 21 -4.477 -3.399 3.900 138 HG LEU 21 HG LEU 21 -2.236 -2.472 3.479 139 HD11 LEU 21 1HD1 LEU 21 -1.378 -4.840 4.860 140 HD12 LEU 21 2HD1 LEU 21 -0.640 -4.792 3.241 141 HD13 LEU 21 3HD1 LEU 21 -0.433 -3.419 4.355 142 HD21 LEU 21 1HD2 LEU 21 -1.732 -3.783 1.421 143 HD22 LEU 21 2HD2 LEU 21 -2.916 -5.000 1.955 144 HD23 LEU 21 3HD2 LEU 21 -3.447 -3.339 1.596 145 H ALA 22 H ALA 22 -0.999 -2.953 6.242 146 HA ALA 22 HA ALA 22 -1.340 -0.082 5.936 147 HB1 ALA 22 1HB ALA 22 -0.196 -1.385 8.441 148 HB2 ALA 22 2HB ALA 22 -0.216 0.360 8.089 149 HB3 ALA 22 3HB ALA 22 -1.746 -0.517 8.334 150 H VAL 23 H VAL 23 0.286 0.668 4.670 151 HA VAL 23 HA VAL 23 2.779 -0.887 4.678 152 HB VAL 23 HB VAL 23 1.417 0.433 2.321 153 HG11 VAL 23 1HG1 VAL 23 3.829 -1.398 2.280 154 HG12 VAL 23 2HG1 VAL 23 3.173 -0.403 0.958 155 HG13 VAL 23 3HG1 VAL 23 3.962 0.375 2.351 156 HG21 VAL 23 1HG2 VAL 23 0.207 -1.435 2.151 157 HG22 VAL 23 2HG2 VAL 23 1.720 -2.328 1.866 158 HG23 VAL 23 3HG2 VAL 23 1.071 -2.182 3.517 159 HA PRO 24 HA PRO 24 4.024 3.188 5.846 160 HB2 PRO 24 1HB PRO 24 6.319 2.448 7.132 161 HB3 PRO 24 2HB PRO 24 4.763 2.546 7.931 162 HG2 PRO 24 1HG PRO 24 6.260 0.144 7.077 163 HG3 PRO 24 2HG PRO 24 4.944 0.266 8.228 164 HD2 PRO 24 1HD PRO 24 4.782 -0.703 5.534 165 HD3 PRO 24 2HD PRO 24 3.448 -0.472 6.647 166 H PHE 25 H PHE 25 5.524 4.747 5.138 167 HA PHE 25 HA PHE 25 7.408 3.639 3.191 168 HB2 PHE 25 1HB PHE 25 5.437 5.989 2.935 169 HB3 PHE 25 2HB PHE 25 6.722 5.700 1.779 170 HD1 PHE 25 1HD PHE 25 6.737 3.159 0.863 171 HD2 PHE 25 2HD PHE 25 3.346 5.218 2.370 172 HE1 PHE 25 1HE PHE 25 5.230 1.623 -0.428 173 HE2 PHE 25 2HE PHE 25 1.839 3.682 1.079 174 HZ PHE 25 HZ PHE 25 2.799 1.902 -0.305 175 H ARG 26 H ARG 26 9.430 4.586 3.223 176 HA ARG 26 HA ARG 26 9.988 6.254 5.398 177 HB2 ARG 26 1HB ARG 26 11.507 4.981 3.154 178 HB3 ARG 26 2HB ARG 26 12.247 6.422 3.823 179 HG2 ARG 26 1HG ARG 26 11.820 5.322 6.160 180 HG3 ARG 26 2HG ARG 26 11.540 3.841 5.267 181 HD2 ARG 26 1HD ARG 26 13.844 3.687 5.710 182 HD3 ARG 26 2HD ARG 26 13.848 4.384 4.102 183 HE ARG 26 HE ARG 26 14.471 5.803 6.635 184 HH11 ARG 26 2HH2 ARG 26 14.011 5.974 3.150 185 HH12 ARG 26 1HH2 ARG 26 14.814 7.500 2.991 186 HH21 ARG 26 2HH1 ARG 26 15.531 7.817 6.425 187 HH22 ARG 26 1HH1 ARG 26 15.685 8.556 4.866 188 H VAL 27 H VAL 27 8.648 8.167 5.057 189 HA VAL 27 HA VAL 27 9.781 9.951 3.023 190 HB VAL 27 HB VAL 27 7.410 10.883 2.864 191 HG11 VAL 27 1HG1 VAL 27 7.874 8.097 1.749 192 HG12 VAL 27 2HG1 VAL 27 6.819 9.364 1.077 193 HG13 VAL 27 3HG1 VAL 27 8.584 9.588 1.085 194 HG21 VAL 27 1HG2 VAL 27 6.188 8.286 3.365 195 HG22 VAL 27 2HG2 VAL 27 6.902 8.977 4.842 196 HG23 VAL 27 3HG2 VAL 27 5.697 9.905 3.918 197 H SER 28 H SER 28 9.603 12.261 3.592 198 HA SER 28 HA SER 28 9.566 12.529 6.491 199 HB2 SER 28 1HB SER 28 11.446 13.355 4.506 200 HB3 SER 28 2HB SER 28 10.709 14.821 5.120 201 HG SER 28 HG SER 28 12.165 12.802 6.565 202 H PHE 29 H PHE 29 7.395 12.739 4.159 203 HA PHE 29 HA PHE 29 6.154 15.101 5.319 204 HB2 PHE 29 1HB PHE 29 5.457 15.573 2.803 205 HB3 PHE 29 2HB PHE 29 7.062 16.055 3.312 206 HD1 PHE 29 2HD PHE 29 5.348 13.049 1.899 207 HD2 PHE 29 1HD PHE 29 8.822 15.485 1.943 208 HE1 PHE 29 2HE PHE 29 6.348 11.656 0.066 209 HE2 PHE 29 1HE PHE 29 9.822 14.092 0.110 210 HZ PHE 29 HZ PHE 29 8.573 12.194 -0.807 211 H ARG 30 H ARG 30 3.770 15.233 4.651 212 HA ARG 30 HA ARG 30 2.681 12.662 5.032 213 HB2 ARG 30 1HB ARG 30 1.616 14.616 6.063 214 HB3 ARG 30 2HB ARG 30 1.416 15.395 4.506 215 HG2 ARG 30 1HG ARG 30 0.157 12.910 4.146 216 HG3 ARG 30 2HG ARG 30 -0.257 13.333 5.795 217 HD2 ARG 30 1HD ARG 30 -0.804 15.721 4.751 218 HD3 ARG 30 2HD ARG 30 -0.896 14.835 3.242 219 HE ARG 30 HE ARG 30 -2.955 14.003 3.938 220 HH11 ARG 30 2HH2 ARG 30 -1.072 14.832 6.793 221 HH12 ARG 30 1HH2 ARG 30 -2.341 14.434 7.903 222 HH21 ARG 30 2HH1 ARG 30 -4.630 13.478 5.402 223 HH22 ARG 30 1HH1 ARG 30 -4.378 13.659 7.106 224 H LEU 31 H LEU 31 2.877 11.276 3.251 225 HA LEU 31 HA LEU 31 2.909 11.987 0.615 226 HB2 LEU 31 1HB LEU 31 2.162 9.498 2.096 227 HB3 LEU 31 2HB LEU 31 1.915 9.570 0.363 228 HG LEU 31 HG LEU 31 4.598 10.294 1.508 229 HD11 LEU 31 1HD1 LEU 31 3.553 7.484 1.081 230 HD12 LEU 31 2HD1 LEU 31 5.276 7.903 1.239 231 HD13 LEU 31 3HD1 LEU 31 4.159 8.205 2.592 232 HD21 LEU 31 1HD2 LEU 31 3.470 9.532 -1.139 233 HD22 LEU 31 2HD2 LEU 31 4.726 10.721 -0.717 234 HD23 LEU 31 3HD2 LEU 31 5.122 8.987 -0.761 235 H LYS 32 H LYS 32 1.457 12.739 -0.847 236 HA LYS 32 HA LYS 32 -1.242 13.152 0.097 237 HB2 LYS 32 1HB LYS 32 0.386 14.147 -2.234 238 HB3 LYS 32 2HB LYS 32 -1.355 14.338 -2.218 239 HG2 LYS 32 1HG LYS 32 0.382 15.213 0.128 240 HG3 LYS 32 2HG LYS 32 0.050 16.275 -1.226 241 HD2 LYS 32 1HD LYS 32 -2.181 14.908 0.337 242 HD3 LYS 32 2HD LYS 32 -1.524 16.458 0.822 243 HE2 LYS 32 1HE LYS 32 -2.027 17.288 -1.566 244 HE3 LYS 32 2HE LYS 32 -2.907 15.794 -1.815 245 HZ1 LYS 32 1HZ LYS 32 -3.918 16.631 0.491 246 HZ2 LYS 32 2HZ LYS 32 -3.614 18.066 -0.226 247 HZ3 LYS 32 3HZ LYS 32 -4.575 16.971 -0.965 248 H GLY 33 H GLY 33 -3.091 12.706 -1.500 249 HA2 GLY 33 1HA GLY 33 -3.015 9.910 -2.148 250 HA3 GLY 33 2HA GLY 33 -4.358 11.021 -2.335 251 H LYS 34 H LYS 34 -2.086 12.811 -3.784 252 HA LYS 34 HA LYS 34 -2.716 11.686 -6.399 253 HB2 LYS 34 1HB LYS 34 -2.430 13.830 -7.271 254 HB3 LYS 34 2HB LYS 34 -3.207 14.110 -5.725 255 HG2 LYS 34 1HG LYS 34 -0.853 14.432 -4.731 256 HG3 LYS 34 2HG LYS 34 -0.241 14.415 -6.373 257 HD2 LYS 34 1HD LYS 34 -2.498 16.293 -5.587 258 HD3 LYS 34 2HD LYS 34 -0.830 16.723 -5.265 259 HE2 LYS 34 1HE LYS 34 -0.584 17.399 -7.415 260 HE3 LYS 34 2HE LYS 34 -0.918 15.770 -7.969 261 HZ1 LYS 34 1HZ LYS 34 -3.351 16.539 -7.466 262 HZ2 LYS 34 2HZ LYS 34 -2.719 18.019 -7.740 263 HZ3 LYS 34 3HZ LYS 34 -2.633 16.868 -8.895 264 H ASP 35 H ASP 35 -0.562 10.832 -4.259 265 HA ASP 35 HA ASP 35 1.509 10.604 -6.272 266 HB2 ASP 35 1HB ASP 35 1.701 11.964 -3.640 267 HB3 ASP 35 2HB ASP 35 2.950 10.761 -3.888 268 H VAL 36 H VAL 36 -0.731 8.986 -4.761 269 HA VAL 36 HA VAL 36 1.042 6.830 -3.838 270 HB VAL 36 HB VAL 36 -1.726 7.510 -2.826 271 HG11 VAL 36 1HG1 VAL 36 -0.843 5.912 -0.942 272 HG12 VAL 36 2HG1 VAL 36 -1.513 5.235 -2.446 273 HG13 VAL 36 3HG1 VAL 36 0.250 5.327 -2.219 274 HG21 VAL 36 1HG2 VAL 36 0.525 8.956 -2.281 275 HG22 VAL 36 2HG2 VAL 36 -0.853 8.772 -1.169 276 HG23 VAL 36 3HG2 VAL 36 0.581 7.732 -0.990 277 H VAL 37 H VAL 37 -0.115 4.615 -4.016 278 HA VAL 37 HA VAL 37 -1.995 4.566 -6.240 279 HB VAL 37 HB VAL 37 -0.528 3.862 -7.724 280 HG11 VAL 37 1HG1 VAL 37 1.963 3.689 -7.029 281 HG12 VAL 37 2HG1 VAL 37 1.153 5.270 -6.910 282 HG13 VAL 37 3HG1 VAL 37 1.406 4.287 -5.448 283 HG21 VAL 37 1HG2 VAL 37 0.567 1.759 -5.844 284 HG22 VAL 37 2HG2 VAL 37 -1.019 1.600 -6.637 285 HG23 VAL 37 3HG2 VAL 37 0.461 1.715 -7.620 286 H VAL 38 H VAL 38 -3.685 3.344 -5.598 287 HA VAL 38 HA VAL 38 -3.099 0.939 -4.057 288 HB VAL 38 HB VAL 38 -4.881 3.217 -3.218 289 HG11 VAL 38 1HG1 VAL 38 -6.404 1.517 -2.875 290 HG12 VAL 38 2HG1 VAL 38 -5.143 0.291 -2.601 291 HG13 VAL 38 3HG1 VAL 38 -5.514 1.486 -1.334 292 HG21 VAL 38 1HG2 VAL 38 -2.864 3.541 -2.160 293 HG22 VAL 38 2HG2 VAL 38 -3.676 2.489 -0.975 294 HG23 VAL 38 3HG2 VAL 38 -2.485 1.802 -2.105 295 H ASP 39 H ASP 39 -3.600 -0.347 -5.855 296 HA ASP 39 HA ASP 39 -6.133 0.153 -7.131 297 HB2 ASP 39 1HB ASP 39 -3.793 -0.598 -8.199 298 HB3 ASP 39 2HB ASP 39 -4.347 -2.203 -7.766 299 H ILE 40 H ILE 40 -7.593 -0.514 -5.392 300 HA ILE 40 HA ILE 40 -7.263 -3.185 -4.328 301 HB ILE 40 HB ILE 40 -9.228 -0.964 -3.765 302 HG12 ILE 40 1HG1 ILE 40 -7.075 -2.063 -1.950 303 HG13 ILE 40 2HG1 ILE 40 -6.766 -0.753 -3.072 304 HG21 ILE 40 1HG2 ILE 40 -9.339 -3.804 -3.106 305 HG22 ILE 40 2HG2 ILE 40 -9.362 -2.763 -1.663 306 HG23 ILE 40 3HG2 ILE 40 -10.577 -2.535 -2.943 307 HD11 ILE 40 1HD1 ILE 40 -7.378 0.146 -0.859 308 HD12 ILE 40 2HD1 ILE 40 -8.631 0.563 -2.052 309 HD13 ILE 40 3HD1 ILE 40 -8.908 -0.762 -0.896 310 H GLN 41 H GLN 41 -7.610 -4.579 -6.086 311 HA GLN 41 HA GLN 41 -10.087 -4.226 -7.524 312 HB2 GLN 41 1HB GLN 41 -7.522 -5.673 -7.972 313 HB3 GLN 41 2HB GLN 41 -8.946 -6.500 -8.572 314 HG2 GLN 41 1HG GLN 41 -8.286 -3.584 -9.198 315 HG3 GLN 41 2HG GLN 41 -7.866 -4.924 -10.247 316 HE21 GLN 41 1HE2 GLN 41 -10.245 -2.716 -9.283 317 HE22 GLN 41 2HE2 GLN 41 -11.586 -3.304 -10.208 318 H ARG 42 H ARG 42 -11.235 -6.498 -8.057 319 HA ARG 42 HA ARG 42 -12.255 -7.351 -5.623 320 HB2 ARG 42 1HB ARG 42 -13.490 -7.392 -7.816 321 HB3 ARG 42 2HB ARG 42 -12.448 -8.688 -8.370 322 HG2 ARG 42 1HG ARG 42 -14.351 -9.845 -7.576 323 HG3 ARG 42 2HG ARG 42 -13.225 -9.982 -6.240 324 HD2 ARG 42 1HD ARG 42 -14.663 -8.893 -4.861 325 HD3 ARG 42 2HD ARG 42 -14.693 -7.505 -5.930 326 HE ARG 42 HE ARG 42 -16.348 -9.783 -6.811 327 HH11 ARG 42 2HH2 ARG 42 -16.243 -6.736 -5.054 328 HH12 ARG 42 1HH2 ARG 42 -17.951 -6.467 -5.164 329 HH21 ARG 42 2HH1 ARG 42 -18.601 -9.428 -6.957 330 HH22 ARG 42 1HH1 ARG 42 -19.301 -8.008 -6.254 331 H ARG 43 H ARG 43 -10.027 -8.899 -8.033 332 HA ARG 43 HA ARG 43 -9.288 -10.742 -5.904 333 HB2 ARG 43 1HB ARG 43 -10.440 -11.402 -8.401 334 HB3 ARG 43 2HB ARG 43 -8.734 -11.737 -8.625 335 HG2 ARG 43 1HG ARG 43 -8.681 -13.273 -6.763 336 HG3 ARG 43 2HG ARG 43 -10.240 -12.731 -6.172 337 HD2 ARG 43 1HD ARG 43 -11.361 -14.174 -7.536 338 HD3 ARG 43 2HD ARG 43 -10.460 -13.654 -8.946 339 HE ARG 43 HE ARG 43 -8.916 -15.370 -7.132 340 HH11 ARG 43 2HH2 ARG 43 -11.108 -15.292 -9.883 341 HH12 ARG 43 1HH2 ARG 43 -10.630 -16.850 -10.471 342 HH21 ARG 43 2HH1 ARG 43 -8.284 -17.424 -7.907 343 HH22 ARG 43 1HH1 ARG 43 -9.012 -18.070 -9.340 344 H HIS 44 H HIS 44 -8.040 -8.222 -6.246 345 HA HIS 44 HA HIS 44 -5.373 -8.999 -6.553 346 HB2 HIS 44 1HB HIS 44 -6.483 -8.645 -9.009 347 HB3 HIS 44 2HB HIS 44 -5.942 -7.011 -8.678 348 HD1 HIS 44 1HD HIS 44 -3.305 -6.706 -8.201 349 HD2 HIS 44 2HD HIS 44 -4.484 -10.436 -9.715 350 HE1 HIS 44 1HE HIS 44 -1.182 -7.833 -9.057 351 H LEU 45 H LEU 45 -3.959 -7.388 -5.721 352 HA LEU 45 HA LEU 45 -5.204 -4.834 -5.061 353 HB2 LEU 45 1HB LEU 45 -5.306 -6.717 -3.208 354 HB3 LEU 45 2HB LEU 45 -3.642 -6.238 -2.940 355 HG LEU 45 HG LEU 45 -6.041 -4.389 -2.817 356 HD11 LEU 45 1HD1 LEU 45 -4.974 -6.230 -0.893 357 HD12 LEU 45 2HD1 LEU 45 -4.727 -4.563 -0.320 358 HD13 LEU 45 3HD1 LEU 45 -6.360 -5.123 -0.751 359 HD21 LEU 45 1HD2 LEU 45 -4.620 -2.643 -2.192 360 HD22 LEU 45 2HD2 LEU 45 -3.254 -3.739 -1.873 361 HD23 LEU 45 3HD2 LEU 45 -3.773 -3.428 -3.547 362 H ARG 46 H ARG 46 -3.902 -3.242 -5.777 363 HA ARG 46 HA ARG 46 -1.055 -3.851 -5.792 364 HB2 ARG 46 1HB ARG 46 -2.318 -3.695 -8.092 365 HB3 ARG 46 2HB ARG 46 -2.380 -1.970 -7.788 366 HG2 ARG 46 1HG ARG 46 0.103 -1.901 -7.579 367 HG3 ARG 46 2HG ARG 46 0.183 -3.633 -7.832 368 HD2 ARG 46 1HD ARG 46 -0.889 -1.594 -9.843 369 HD3 ARG 46 2HD ARG 46 0.665 -2.398 -9.937 370 HE ARG 46 HE ARG 46 -1.459 -4.348 -9.722 371 HH11 ARG 46 2HH2 ARG 46 0.063 -2.141 -12.001 372 HH12 ARG 46 1HH2 ARG 46 -0.382 -3.070 -13.394 373 HH21 ARG 46 2HH1 ARG 46 -2.046 -5.574 -11.559 374 HH22 ARG 46 1HH1 ARG 46 -1.590 -5.035 -13.141 375 H VAL 47 H VAL 47 -0.673 -2.763 -3.781 376 HA VAL 47 HA VAL 47 -1.365 0.091 -3.778 377 HB VAL 47 HB VAL 47 -0.885 -1.895 -1.555 378 HG11 VAL 47 1HG1 VAL 47 -0.057 -0.181 -0.365 379 HG12 VAL 47 2HG1 VAL 47 -0.570 1.023 -1.572 380 HG13 VAL 47 3HG1 VAL 47 -1.723 0.445 -0.345 381 HG21 VAL 47 1HG2 VAL 47 -3.175 -1.454 -2.904 382 HG22 VAL 47 2HG2 VAL 47 -3.127 -1.869 -1.174 383 HG23 VAL 47 3HG2 VAL 47 -3.308 -0.171 -1.677 384 H GLY 48 H GLY 48 0.265 1.531 -4.028 385 HA2 GLY 48 1HA GLY 48 2.902 0.963 -3.002 386 HA3 GLY 48 2HA GLY 48 2.804 0.941 -4.752 387 H LEU 49 H LEU 49 4.250 2.838 -4.738 388 HA LEU 49 HA LEU 49 2.733 5.290 -4.178 389 HB2 LEU 49 1HB LEU 49 5.608 4.637 -3.575 390 HB3 LEU 49 2HB LEU 49 5.055 6.290 -3.752 391 HG LEU 49 HG LEU 49 4.098 4.279 -1.699 392 HD11 LEU 49 1HD1 LEU 49 5.784 6.783 -1.459 393 HD12 LEU 49 2HD1 LEU 49 5.107 5.879 -0.083 394 HD13 LEU 49 3HD1 LEU 49 6.291 5.103 -1.162 395 HD21 LEU 49 1HD2 LEU 49 2.920 6.814 -2.637 396 HD22 LEU 49 2HD2 LEU 49 2.180 5.444 -1.775 397 HD23 LEU 49 3HD2 LEU 49 3.099 6.672 -0.872 398 H LYS 50 H LYS 50 2.482 6.624 -5.903 399 HA LYS 50 HA LYS 50 2.986 5.871 -8.442 400 HB2 LYS 50 1HB LYS 50 2.433 8.440 -7.074 401 HB3 LYS 50 2HB LYS 50 3.124 8.581 -8.677 402 HG2 LYS 50 1HG LYS 50 1.246 7.751 -9.709 403 HG3 LYS 50 2HG LYS 50 0.982 6.531 -8.479 404 HD2 LYS 50 1HD LYS 50 0.078 8.287 -6.936 405 HD3 LYS 50 2HD LYS 50 0.336 9.503 -8.172 406 HE2 LYS 50 1HE LYS 50 -1.151 7.299 -9.337 407 HE3 LYS 50 2HE LYS 50 -1.935 7.775 -7.844 408 HZ1 LYS 50 1HZ LYS 50 -2.400 9.808 -8.661 409 HZ2 LYS 50 2HZ LYS 50 -1.079 9.895 -9.616 410 HZ3 LYS 50 3HZ LYS 50 -2.369 9.011 -10.085 411 H GLY 51 H GLY 51 4.796 5.356 -9.536 412 HA2 GLY 51 1HA GLY 51 6.844 5.932 -10.487 413 HA3 GLY 51 2HA GLY 51 7.169 7.036 -9.166 414 H GLN 52 H GLN 52 6.421 5.195 -6.988 415 HA GLN 52 HA GLN 52 8.872 3.697 -6.998 416 HB2 GLN 52 1HB GLN 52 7.002 4.776 -4.971 417 HB3 GLN 52 2HB GLN 52 7.629 3.191 -4.564 418 HG2 GLN 52 1HG GLN 52 9.787 4.843 -5.611 419 HG3 GLN 52 2HG GLN 52 8.962 5.709 -4.330 420 HE21 GLN 52 1HE2 GLN 52 8.349 4.250 -2.405 421 HE22 GLN 52 2HE2 GLN 52 9.603 3.227 -1.787 422 HA PRO 53 HA PRO 53 7.042 -0.218 -7.429 423 HB2 PRO 53 1HB PRO 53 8.317 -1.822 -5.621 424 HB3 PRO 53 2HB PRO 53 9.032 -1.341 -7.146 425 HG2 PRO 53 1HG PRO 53 9.635 -0.358 -4.424 426 HG3 PRO 53 2HG PRO 53 10.600 -0.218 -5.881 427 HD2 PRO 53 1HD PRO 53 9.020 1.844 -4.664 428 HD3 PRO 53 2HD PRO 53 9.891 1.948 -6.181 429 HA PRO 54 HA PRO 54 3.746 -0.691 -4.790 430 HB2 PRO 54 1HB PRO 54 2.564 -2.915 -5.852 431 HB3 PRO 54 2HB PRO 54 2.334 -1.304 -6.502 432 HG2 PRO 54 1HG PRO 54 3.976 -3.516 -7.572 433 HG3 PRO 54 2HG PRO 54 3.396 -2.082 -8.396 434 HD2 PRO 54 1HD PRO 54 6.058 -2.552 -7.436 435 HD3 PRO 54 2HD PRO 54 5.449 -1.075 -8.154 436 H VAL 55 H VAL 55 3.629 -1.277 -2.719 437 HA VAL 55 HA VAL 55 5.392 -3.339 -1.875 438 HB VAL 55 HB VAL 55 3.186 -2.024 -0.293 439 HG11 VAL 55 1HG1 VAL 55 4.044 -3.226 1.379 440 HG12 VAL 55 2HG1 VAL 55 5.334 -3.851 0.324 441 HG13 VAL 55 3HG1 VAL 55 5.566 -2.320 1.203 442 HG21 VAL 55 1HG2 VAL 55 4.196 -0.112 -1.092 443 HG22 VAL 55 2HG2 VAL 55 5.204 -0.441 0.338 444 HG23 VAL 55 3HG2 VAL 55 5.783 -0.895 -1.282 445 H VAL 56 H VAL 56 1.869 -3.029 -2.487 446 HA VAL 56 HA VAL 56 1.621 -5.885 -1.852 447 HB VAL 56 HB VAL 56 -0.578 -3.827 -2.066 448 HG11 VAL 56 1HG1 VAL 56 -1.670 -5.608 -0.508 449 HG12 VAL 56 2HG1 VAL 56 -1.575 -5.923 -2.257 450 HG13 VAL 56 3HG1 VAL 56 -0.413 -6.693 -1.150 451 HG21 VAL 56 1HG2 VAL 56 -0.091 -3.017 -0.047 452 HG22 VAL 56 2HG2 VAL 56 -0.050 -4.656 0.646 453 HG23 VAL 56 3HG2 VAL 56 1.421 -3.955 -0.071 454 H ASP 57 H ASP 57 1.303 -7.284 -3.511 455 HA ASP 57 HA ASP 57 -0.143 -6.460 -5.796 456 HB2 ASP 57 1HB ASP 57 1.874 -5.528 -6.630 457 HB3 ASP 57 2HB ASP 57 2.867 -6.770 -5.893 458 H GLY 58 H GLY 58 -1.246 -8.338 -6.398 459 HA2 GLY 58 1HA GLY 58 -0.411 -10.746 -7.090 460 HA3 GLY 58 2HA GLY 58 -0.295 -10.890 -5.348 461 H GLU 59 H GLU 59 -2.079 -12.446 -7.006 462 HA GLU 59 HA GLU 59 -4.641 -11.303 -6.967 463 HB2 GLU 59 1HB GLU 59 -4.118 -13.080 -8.539 464 HB3 GLU 59 2HB GLU 59 -3.666 -14.175 -7.248 465 HG2 GLU 59 1HG GLU 59 -5.976 -14.259 -6.423 466 HG3 GLU 59 2HG GLU 59 -6.469 -13.000 -7.539 467 H LEU 60 H LEU 60 -5.859 -10.883 -5.180 468 HA LEU 60 HA LEU 60 -5.201 -11.610 -2.632 469 HB2 LEU 60 1HB LEU 60 -7.869 -10.918 -3.857 470 HB3 LEU 60 2HB LEU 60 -7.623 -11.105 -2.132 471 HG LEU 60 HG LEU 60 -6.010 -9.149 -3.776 472 HD11 LEU 60 1HD1 LEU 60 -8.820 -8.959 -2.875 473 HD12 LEU 60 2HD1 LEU 60 -7.789 -7.555 -2.505 474 HD13 LEU 60 3HD1 LEU 60 -7.966 -8.112 -4.187 475 HD21 LEU 60 1HD2 LEU 60 -5.804 -10.031 -1.126 476 HD22 LEU 60 2HD2 LEU 60 -5.004 -8.624 -1.867 477 HD23 LEU 60 3HD2 LEU 60 -6.561 -8.423 -1.029 478 H TYR 61 H TYR 61 -6.502 -13.048 -1.098 479 HA TYR 61 HA TYR 61 -6.286 -15.696 -1.978 480 HB2 TYR 61 1HB TYR 61 -6.110 -14.887 0.389 481 HB3 TYR 61 2HB TYR 61 -7.746 -14.262 0.324 482 HD1 TYR 61 1HD TYR 61 -9.633 -16.048 -0.160 483 HD2 TYR 61 2HD TYR 61 -5.729 -16.997 1.309 484 HE1 TYR 61 1HE TYR 61 -10.505 -18.255 0.752 485 HE2 TYR 61 2HE TYR 61 -6.614 -19.201 2.216 486 HH TYR 61 HH TYR 61 -8.370 -20.417 2.585 487 H ASN 62 H ASN 62 -9.041 -13.409 -1.795 488 HA ASN 62 HA ASN 62 -10.487 -15.102 -3.556 489 HB2 ASN 62 1HB ASN 62 -11.227 -16.213 -1.540 490 HB3 ASN 62 2HB ASN 62 -11.381 -14.701 -0.667 491 HD21 ASN 62 1HD2 ASN 62 -12.595 -16.417 -3.530 492 HD22 ASN 62 2HD2 ASN 62 -14.229 -15.850 -3.456 493 H GLU 63 H GLU 63 -12.617 -13.944 -4.200 494 HA GLU 63 HA GLU 63 -12.160 -11.341 -4.796 495 HB2 GLU 63 1HB GLU 63 -14.773 -12.874 -4.505 496 HB3 GLU 63 2HB GLU 63 -14.711 -11.245 -5.147 497 HG2 GLU 63 1HG GLU 63 -13.298 -11.931 -7.001 498 HG3 GLU 63 2HG GLU 63 -13.010 -13.504 -6.286 499 H VAL 64 H VAL 64 -12.775 -9.303 -3.925 500 HA VAL 64 HA VAL 64 -14.037 -9.365 -1.293 501 HB VAL 64 HB VAL 64 -12.306 -7.623 -0.604 502 HG11 VAL 64 1HG1 VAL 64 -12.277 -10.498 -0.519 503 HG12 VAL 64 2HG1 VAL 64 -10.605 -9.892 -0.598 504 HG13 VAL 64 3HG1 VAL 64 -11.695 -9.331 0.692 505 HG21 VAL 64 1HG2 VAL 64 -11.305 -7.179 -2.772 506 HG22 VAL 64 2HG2 VAL 64 -10.078 -7.856 -1.675 507 HG23 VAL 64 3HG2 VAL 64 -10.813 -8.883 -2.929 508 H LYS 65 H LYS 65 -15.419 -7.634 -0.928 509 HA LYS 65 HA LYS 65 -16.337 -6.250 -3.166 510 HB2 LYS 65 1HB LYS 65 -17.299 -6.793 -0.684 511 HB3 LYS 65 2HB LYS 65 -16.886 -5.102 -0.487 512 HG2 LYS 65 1HG LYS 65 -18.691 -4.467 -1.701 513 HG3 LYS 65 2HG LYS 65 -18.161 -5.429 -3.066 514 HD2 LYS 65 1HD LYS 65 -19.294 -7.408 -2.230 515 HD3 LYS 65 2HD LYS 65 -19.592 -6.661 -0.673 516 HE2 LYS 65 1HE LYS 65 -21.302 -5.270 -1.505 517 HE3 LYS 65 2HE LYS 65 -20.677 -5.297 -3.142 518 HZ1 LYS 65 1HZ LYS 65 -22.568 -6.660 -3.072 519 HZ2 LYS 65 2HZ LYS 65 -21.299 -7.682 -3.179 520 HZ3 LYS 65 3HZ LYS 65 -22.063 -7.476 -1.751 521 H VAL 66 H VAL 66 -14.961 -4.959 -4.319 522 HA VAL 66 HA VAL 66 -13.018 -3.348 -2.990 523 HB VAL 66 HB VAL 66 -12.348 -2.714 -5.160 524 HG11 VAL 66 1HG1 VAL 66 -11.806 -5.018 -4.636 525 HG12 VAL 66 2HG1 VAL 66 -13.391 -5.565 -5.232 526 HG13 VAL 66 3HG1 VAL 66 -12.200 -4.886 -6.367 527 HG21 VAL 66 1HG2 VAL 66 -13.708 -3.181 -7.191 528 HG22 VAL 66 2HG2 VAL 66 -15.052 -3.689 -6.140 529 HG23 VAL 66 3HG2 VAL 66 -14.471 -2.007 -6.092 530 H GLU 67 H GLU 67 -16.285 -2.905 -4.398 531 HA GLU 67 HA GLU 67 -16.279 -0.152 -4.424 532 HB2 GLU 67 1HB GLU 67 -18.596 -2.080 -3.955 533 HB3 GLU 67 2HB GLU 67 -18.783 -0.385 -4.358 534 HG2 GLU 67 1HG GLU 67 -18.204 -0.699 -6.565 535 HG3 GLU 67 2HG GLU 67 -16.966 -1.880 -6.184 536 H GLU 68 H GLU 68 -16.123 -2.333 -1.762 537 HA GLU 68 HA GLU 68 -17.194 -0.290 0.015 538 HB2 GLU 68 1HB GLU 68 -16.789 -3.285 0.340 539 HB3 GLU 68 2HB GLU 68 -17.086 -2.245 1.719 540 HG2 GLU 68 1HG GLU 68 -18.995 -1.631 -0.399 541 HG3 GLU 68 2HG GLU 68 -19.016 -3.352 -0.069 542 H SER 69 H SER 69 -14.297 -1.548 -1.268 543 HA SER 69 HA SER 69 -12.650 -1.628 0.927 544 HB2 SER 69 1HB SER 69 -11.160 -2.165 -0.682 545 HB3 SER 69 2HB SER 69 -12.392 -1.819 -1.880 546 HG SER 69 HG SER 69 -11.217 -0.152 -2.500 547 H SER 70 H SER 70 -10.696 0.064 1.161 548 HA SER 70 HA SER 70 -11.127 2.705 0.506 549 HB2 SER 70 1HB SER 70 -11.951 3.709 2.529 550 HB3 SER 70 2HB SER 70 -13.068 2.423 2.118 551 HG SER 70 HG SER 70 -11.194 2.586 4.259 552 H TRP 71 H TRP 71 -9.185 3.802 0.861 553 HA TRP 71 HA TRP 71 -7.350 2.594 2.810 554 HB2 TRP 71 1HB TRP 71 -5.508 2.869 1.273 555 HB3 TRP 71 2HB TRP 71 -6.722 1.795 0.607 556 HD1 TRP 71 HD TRP 71 -8.162 2.772 -1.532 557 HE1 TRP 71 1HE TRP 71 -7.691 4.624 -3.352 558 HE3 TRP 71 3HE TRP 71 -4.408 5.068 1.017 559 HZ2 TRP 71 2HZ TRP 71 -5.843 6.793 -3.518 560 HZ3 TRP 71 3HZ TRP 71 -3.324 7.046 -0.045 561 HH2 TRP 71 HH TRP 71 -3.984 7.913 -2.232 562 H LEU 72 H LEU 72 -5.663 4.196 3.536 563 HA LEU 72 HA LEU 72 -6.072 6.942 2.885 564 HB2 LEU 72 1HB LEU 72 -7.199 7.729 4.655 565 HB3 LEU 72 2HB LEU 72 -7.915 6.130 4.603 566 HG LEU 72 HG LEU 72 -5.740 5.724 6.246 567 HD11 LEU 72 1HD1 LEU 72 -6.033 8.518 6.127 568 HD12 LEU 72 2HD1 LEU 72 -6.726 8.018 7.689 569 HD13 LEU 72 3HD1 LEU 72 -5.056 7.568 7.272 570 HD21 LEU 72 1HD2 LEU 72 -7.305 5.057 7.722 571 HD22 LEU 72 2HD2 LEU 72 -8.218 6.582 7.615 572 HD23 LEU 72 3HD2 LEU 72 -8.417 5.335 6.360 573 H ILE 73 H ILE 73 -4.369 8.285 3.752 574 HA ILE 73 HA ILE 73 -2.052 6.676 4.455 575 HB ILE 73 HB ILE 73 -2.104 9.622 3.854 576 HG12 ILE 73 1HG1 ILE 73 -1.851 7.421 1.788 577 HG13 ILE 73 2HG1 ILE 73 -3.330 8.315 2.080 578 HG21 ILE 73 1HG2 ILE 73 0.066 7.621 3.238 579 HG22 ILE 73 2HG2 ILE 73 0.173 9.394 3.364 580 HG23 ILE 73 3HG2 ILE 73 -0.065 8.410 4.828 581 HD11 ILE 73 1HD1 ILE 73 -2.157 9.383 0.238 582 HD12 ILE 73 2HD1 ILE 73 -2.050 10.464 1.648 583 HD13 ILE 73 3HD1 ILE 73 -0.651 9.467 1.183 584 H GLU 74 H GLU 74 -1.853 6.228 6.590 585 HA GLU 74 HA GLU 74 -2.961 7.982 8.515 586 HB2 GLU 74 1HB GLU 74 -1.650 5.320 8.470 587 HB3 GLU 74 2HB GLU 74 -1.338 6.237 9.930 588 HG2 GLU 74 1HG GLU 74 -4.130 6.557 9.307 589 HG3 GLU 74 2HG GLU 74 -3.759 4.851 9.156 590 H ASP 75 H ASP 75 -1.966 9.583 9.720 591 HA ASP 75 HA ASP 75 -0.495 11.144 10.121 592 HB2 ASP 75 1HB ASP 75 0.877 8.550 10.697 593 HB3 ASP 75 2HB ASP 75 1.934 9.945 10.618 594 H GLY 76 H GLY 76 -0.724 10.218 7.249 595 HA2 GLY 76 1HA GLY 76 0.347 10.340 5.262 596 HA3 GLY 76 2HA GLY 76 1.034 11.799 5.947 597 H LYS 77 H LYS 77 1.616 8.467 7.170 598 HA LYS 77 HA LYS 77 4.361 8.686 6.153 599 HB2 LYS 77 1HB LYS 77 5.135 7.656 8.270 600 HB3 LYS 77 2HB LYS 77 4.449 9.254 8.486 601 HG2 LYS 77 1HG LYS 77 2.476 8.425 9.493 602 HG3 LYS 77 2HG LYS 77 2.646 6.839 8.768 603 HD2 LYS 77 1HD LYS 77 4.290 6.149 10.318 604 HD3 LYS 77 2HD LYS 77 4.770 7.790 10.701 605 HE2 LYS 77 1HE LYS 77 2.970 8.133 12.167 606 HE3 LYS 77 2HE LYS 77 1.938 6.978 11.347 607 HZ1 LYS 77 1HZ LYS 77 3.077 6.392 13.578 608 HZ2 LYS 77 2HZ LYS 77 2.905 5.250 12.423 609 HZ3 LYS 77 3HZ LYS 77 4.346 5.990 12.632 610 H VAL 78 H VAL 78 1.593 6.641 7.176 611 HA VAL 78 HA VAL 78 2.705 4.543 5.449 612 HB VAL 78 HB VAL 78 2.515 2.972 7.025 613 HG11 VAL 78 1HG1 VAL 78 3.591 5.172 8.090 614 HG12 VAL 78 2HG1 VAL 78 2.210 4.998 9.199 615 HG13 VAL 78 3HG1 VAL 78 3.382 3.670 9.023 616 HG21 VAL 78 1HG2 VAL 78 0.090 4.414 8.151 617 HG22 VAL 78 2HG2 VAL 78 0.078 3.018 7.047 618 HG23 VAL 78 3HG2 VAL 78 0.702 2.837 8.704 619 H VAL 79 H VAL 79 1.100 3.250 4.327 620 HA VAL 79 HA VAL 79 -1.419 4.725 4.047 621 HB VAL 79 HB VAL 79 0.159 2.958 2.176 622 HG11 VAL 79 1HG1 VAL 79 -1.885 3.951 0.649 623 HG12 VAL 79 2HG1 VAL 79 -1.837 2.314 1.347 624 HG13 VAL 79 3HG1 VAL 79 -2.719 3.613 2.185 625 HG21 VAL 79 1HG2 VAL 79 -0.563 5.896 2.220 626 HG22 VAL 79 2HG2 VAL 79 1.051 5.148 2.169 627 HG23 VAL 79 3HG2 VAL 79 -0.011 5.070 0.743 628 H THR 80 H THR 80 -3.308 3.778 4.660 629 HA THR 80 HA THR 80 -3.143 0.943 5.432 630 HB THR 80 HB THR 80 -5.213 1.702 6.840 631 HG1 THR 80 1HG THR 80 -5.675 3.749 6.047 632 HG21 THR 80 1HG2 THR 80 -2.665 3.247 7.494 633 HG22 THR 80 2HG2 THR 80 -3.854 2.562 8.628 634 HG23 THR 80 3HG2 THR 80 -2.764 1.484 7.723 635 H VAL 81 H VAL 81 -4.741 -0.530 4.809 636 HA VAL 81 HA VAL 81 -6.615 0.489 2.797 637 HB VAL 81 HB VAL 81 -4.926 -2.010 2.562 638 HG11 VAL 81 1HG1 VAL 81 -6.137 -1.196 0.099 639 HG12 VAL 81 2HG1 VAL 81 -6.376 -2.702 1.018 640 HG13 VAL 81 3HG1 VAL 81 -7.402 -1.286 1.348 641 HG21 VAL 81 1HG2 VAL 81 -3.529 -0.065 2.223 642 HG22 VAL 81 2HG2 VAL 81 -3.860 -0.822 0.646 643 HG23 VAL 81 3HG2 VAL 81 -4.729 0.656 1.123 644 H HIS 82 H HIS 82 -8.647 -0.542 2.777 645 HA HIS 82 HA HIS 82 -8.988 -2.571 4.859 646 HB2 HIS 82 1HB HIS 82 -9.758 -0.379 5.677 647 HB3 HIS 82 2HB HIS 82 -10.826 -0.226 4.296 648 HD1 HIS 82 1HD HIS 82 -10.779 -1.376 7.733 649 HD2 HIS 82 2HD HIS 82 -12.859 -2.447 4.251 650 HE1 HIS 82 1HE HIS 82 -12.826 -2.694 8.499 651 H LEU 83 H LEU 83 -9.422 -4.434 3.782 652 HA LEU 83 HA LEU 83 -10.993 -4.228 1.326 653 HB2 LEU 83 1HB LEU 83 -9.411 -6.563 2.405 654 HB3 LEU 83 2HB LEU 83 -10.174 -6.448 0.832 655 HG LEU 83 HG LEU 83 -7.984 -6.015 0.302 656 HD11 LEU 83 1HD1 LEU 83 -7.919 -3.888 -0.541 657 HD12 LEU 83 2HD1 LEU 83 -9.653 -4.023 -0.159 658 HD13 LEU 83 3HD1 LEU 83 -8.563 -3.153 0.946 659 HD21 LEU 83 1HD2 LEU 83 -7.271 -4.069 2.401 660 HD22 LEU 83 2HD2 LEU 83 -7.579 -5.725 2.975 661 HD23 LEU 83 3HD2 LEU 83 -6.347 -5.431 1.724 662 H GLU 84 H GLU 84 -12.765 -5.789 0.971 663 HA GLU 84 HA GLU 84 -13.913 -6.644 3.510 664 HB2 GLU 84 1HB GLU 84 -14.972 -4.541 2.429 665 HB3 GLU 84 2HB GLU 84 -15.570 -5.613 1.178 666 HG2 GLU 84 1HG GLU 84 -17.371 -5.698 2.646 667 HG3 GLU 84 2HG GLU 84 -16.442 -7.053 3.253 668 H LYS 85 H LYS 85 -14.351 -8.809 3.571 669 HA LYS 85 HA LYS 85 -13.897 -10.375 1.246 670 HB2 LYS 85 1HB LYS 85 -14.910 -11.090 4.014 671 HB3 LYS 85 2HB LYS 85 -14.523 -12.259 2.767 672 HG2 LYS 85 1HG LYS 85 -12.190 -11.561 2.716 673 HG3 LYS 85 2HG LYS 85 -12.522 -10.166 3.724 674 HD2 LYS 85 1HD LYS 85 -13.006 -11.567 5.655 675 HD3 LYS 85 2HD LYS 85 -13.009 -13.022 4.678 676 HE2 LYS 85 1HE LYS 85 -10.532 -12.372 4.083 677 HE3 LYS 85 2HE LYS 85 -10.634 -11.292 5.459 678 HZ1 LYS 85 1HZ LYS 85 -11.175 -13.144 6.843 679 HZ2 LYS 85 2HZ LYS 85 -11.213 -14.171 5.573 680 HZ3 LYS 85 3HZ LYS 85 -9.801 -13.488 6.029 681 H ILE 86 H ILE 86 -15.417 -11.741 0.125 682 HA ILE 86 HA ILE 86 -17.973 -10.444 -0.140 683 HB ILE 86 HB ILE 86 -16.728 -12.782 -1.592 684 HG12 ILE 86 1HG1 ILE 86 -15.555 -10.560 -1.791 685 HG13 ILE 86 2HG1 ILE 86 -16.103 -11.267 -3.298 686 HG21 ILE 86 1HG2 ILE 86 -18.509 -12.832 -3.047 687 HG22 ILE 86 2HG2 ILE 86 -19.330 -12.493 -1.505 688 HG23 ILE 86 3HG2 ILE 86 -19.021 -11.172 -2.658 689 HD11 ILE 86 1HD1 ILE 86 -17.857 -9.716 -3.557 690 HD12 ILE 86 2HD1 ILE 86 -17.916 -9.346 -1.817 691 HD13 ILE 86 3HD1 ILE 86 -16.581 -8.721 -2.815 692 H ASN 87 H ASN 87 -16.617 -13.556 1.047 693 HA ASN 87 HA ASN 87 -19.297 -14.380 1.740 694 HB2 ASN 87 1HB ASN 87 -18.026 -16.514 2.490 695 HB3 ASN 87 2HB ASN 87 -18.012 -16.166 0.773 696 HD21 ASN 87 1HD2 ASN 87 -16.137 -17.025 0.165 697 HD22 ASN 87 2HD2 ASN 87 -14.570 -16.560 0.738 698 H LYS 88 H LYS 88 -16.258 -13.122 3.059 699 HA LYS 88 HA LYS 88 -15.486 -12.894 5.153 700 HB2 LYS 88 1HB LYS 88 -17.257 -11.605 6.571 701 HB3 LYS 88 2HB LYS 88 -16.605 -10.885 5.113 702 HG2 LYS 88 1HG LYS 88 -18.576 -11.586 3.817 703 HG3 LYS 88 2HG LYS 88 -19.203 -12.490 5.182 704 HD2 LYS 88 1HD LYS 88 -20.397 -10.564 5.568 705 HD3 LYS 88 2HD LYS 88 -18.928 -10.057 6.377 706 HE2 LYS 88 1HE LYS 88 -18.209 -8.734 4.532 707 HE3 LYS 88 2HE LYS 88 -19.244 -9.578 3.397 708 HZ1 LYS 88 1HZ LYS 88 -20.998 -8.345 3.988 709 HZ2 LYS 88 2HZ LYS 88 -20.594 -8.257 5.568 710 HZ3 LYS 88 3HZ LYS 88 -19.872 -7.271 4.484 711 H MET 89 H MET 89 -15.585 -15.440 5.141 712 HA MET 89 HA MET 89 -16.552 -16.121 7.708 713 HB2 MET 89 1HB MET 89 -18.089 -17.937 6.967 714 HB3 MET 89 2HB MET 89 -18.645 -16.396 6.345 715 HG2 MET 89 1HG MET 89 -18.681 -17.425 4.305 716 HG3 MET 89 2HG MET 89 -16.940 -17.223 4.315 717 HE1 MET 89 1HE MET 89 -19.256 -20.829 3.926 718 HE2 MET 89 2HE MET 89 -19.719 -20.239 5.539 719 HE3 MET 89 3HE MET 89 -19.805 -19.149 4.134 720 H GLU 90 H GLU 90 -14.047 -16.023 6.050 721 HA GLU 90 HA GLU 90 -13.208 -18.700 6.687 722 HB2 GLU 90 1HB GLU 90 -13.841 -18.927 4.330 723 HB3 GLU 90 2HB GLU 90 -12.914 -17.504 3.898 724 HG2 GLU 90 1HG GLU 90 -11.045 -18.759 3.653 725 HG3 GLU 90 2HG GLU 90 -11.150 -19.282 5.323 726 H TRP 91 H TRP 91 -11.046 -18.777 7.383 727 HA TRP 91 HA TRP 91 -9.847 -16.203 7.857 728 HB2 TRP 91 1HB TRP 91 -9.774 -17.652 9.688 729 HB3 TRP 91 2HB TRP 91 -9.269 -19.022 8.718 730 HD1 TRP 91 HD TRP 91 -6.656 -19.413 8.515 731 HE1 TRP 91 1HE TRP 91 -4.451 -18.234 9.357 732 HE3 TRP 91 3HE TRP 91 -8.926 -15.166 10.147 733 HZ2 TRP 91 2HZ TRP 91 -3.916 -15.713 10.584 734 HZ3 TRP 91 3HZ TRP 91 -7.490 -13.395 11.154 735 HH2 TRP 91 HH TRP 91 -5.066 -13.617 11.385 736 H TRP 92 H TRP 92 -8.081 -15.352 6.763 737 HA TRP 92 HA TRP 92 -7.297 -16.778 4.359 738 HB2 TRP 92 1HB TRP 92 -6.906 -13.960 5.350 739 HB3 TRP 92 2HB TRP 92 -6.059 -14.582 3.947 740 HD1 TRP 92 HD TRP 92 -9.732 -15.596 4.511 741 HE1 TRP 92 1HE TRP 92 -11.304 -14.574 2.654 742 HE3 TRP 92 3HE TRP 92 -6.184 -12.631 2.394 743 HZ2 TRP 92 2HZ TRP 92 -10.897 -12.683 0.556 744 HZ3 TRP 92 3HZ TRP 92 -6.854 -11.228 0.446 745 HH2 TRP 92 HH TRP 92 -9.118 -11.222 -0.475 746 H ASN 93 H ASN 93 -5.167 -17.510 3.972 747 HA ASN 93 HA ASN 93 -3.544 -17.586 6.382 748 HB2 ASN 93 1HB ASN 93 -4.270 -19.562 4.396 749 HB3 ASN 93 2HB ASN 93 -2.538 -19.324 4.289 750 HD21 ASN 93 1HD2 ASN 93 -3.009 -21.685 5.021 751 HD22 ASN 93 2HD2 ASN 93 -2.879 -21.985 6.722 752 H ARG 94 H ARG 94 -3.920 -15.711 3.714 753 HA ARG 94 HA ARG 94 -1.351 -14.699 3.804 754 HB2 ARG 94 1HB ARG 94 -0.950 -15.258 1.205 755 HB3 ARG 94 2HB ARG 94 -0.379 -16.338 2.461 756 HG2 ARG 94 1HG ARG 94 -1.517 -17.833 1.061 757 HG3 ARG 94 2HG ARG 94 -2.757 -17.465 2.243 758 HD2 ARG 94 1HD ARG 94 -4.018 -16.205 0.747 759 HD3 ARG 94 2HD ARG 94 -2.613 -15.629 -0.127 760 HE ARG 94 HE ARG 94 -2.894 -17.405 -1.605 761 HH11 ARG 94 2HH2 ARG 94 -4.317 -18.300 1.486 762 HH12 ARG 94 1HH2 ARG 94 -4.902 -19.829 0.919 763 HH21 ARG 94 2HH1 ARG 94 -3.667 -19.421 -2.354 764 HH22 ARG 94 1HH1 ARG 94 -4.530 -20.470 -1.280 765 H LEU 95 H LEU 95 -1.475 -12.570 3.055 766 HA LEU 95 HA LEU 95 -3.901 -11.474 2.384 767 HB2 LEU 95 1HB LEU 95 -1.925 -10.295 3.285 768 HB3 LEU 95 2HB LEU 95 -1.144 -10.431 1.722 769 HG LEU 95 HG LEU 95 -2.101 -8.203 2.107 770 HD11 LEU 95 1HD1 LEU 95 -2.923 -7.883 -0.044 771 HD12 LEU 95 2HD1 LEU 95 -1.962 -9.374 -0.194 772 HD13 LEU 95 3HD1 LEU 95 -3.736 -9.465 -0.081 773 HD21 LEU 95 1HD2 LEU 95 -4.862 -9.404 1.941 774 HD22 LEU 95 2HD2 LEU 95 -4.044 -9.130 3.498 775 HD23 LEU 95 3HD2 LEU 95 -4.379 -7.758 2.414 776 H VAL 96 H VAL 96 -1.157 -12.387 0.191 777 HA VAL 96 HA VAL 96 -3.148 -12.488 -1.967 778 HB VAL 96 HB VAL 96 -1.219 -11.822 -3.461 779 HG11 VAL 96 1HG1 VAL 96 -1.419 -9.348 -2.130 780 HG12 VAL 96 2HG1 VAL 96 -2.430 -9.948 -3.467 781 HG13 VAL 96 3HG1 VAL 96 -2.937 -10.209 -1.781 782 HG21 VAL 96 1HG2 VAL 96 0.010 -11.114 -0.780 783 HG22 VAL 96 2HG2 VAL 96 0.664 -12.203 -2.027 784 HG23 VAL 96 3HG2 VAL 96 0.568 -10.452 -2.335 785 H THR 97 H THR 97 -2.653 -14.084 -3.668 786 HA THR 97 HA THR 97 -1.456 -16.443 -2.475 787 HB THR 97 HB THR 97 -2.535 -17.547 -4.436 788 HG1 THR 97 1HG THR 97 -3.142 -16.203 -6.124 789 HG21 THR 97 1HG2 THR 97 -4.545 -17.413 -3.362 790 HG22 THR 97 2HG2 THR 97 -3.957 -15.995 -2.462 791 HG23 THR 97 3HG2 THR 97 -4.787 -15.778 -4.022 792 H SER 98 H SER 98 -0.745 -13.993 -4.938 793 HA SER 98 HA SER 98 1.684 -15.507 -5.506 794 HB2 SER 98 1HB SER 98 1.734 -14.297 -7.697 795 HB3 SER 98 2HB SER 98 0.321 -15.317 -7.516 796 HG SER 98 HG SER 98 -0.015 -12.672 -6.596 797 H ASP 99 H ASP 99 3.024 -14.592 -3.896 798 HA ASP 99 HA ASP 99 3.013 -12.098 -2.955 799 HB2 ASP 99 1HB ASP 99 4.837 -14.303 -3.021 800 HB3 ASP 99 2HB ASP 99 5.780 -12.883 -3.426 801 HA PRO 100 HA PRO 100 4.658 -9.500 -6.085 802 HB2 PRO 100 1HB PRO 100 6.287 -7.750 -4.761 803 HB3 PRO 100 2HB PRO 100 4.541 -7.610 -4.774 804 HG2 PRO 100 1HG PRO 100 6.308 -8.550 -2.599 805 HG3 PRO 100 2HG PRO 100 4.646 -8.005 -2.504 806 HD2 PRO 100 1HD PRO 100 5.570 -10.719 -2.412 807 HD3 PRO 100 2HD PRO 100 3.903 -10.179 -2.434 808 H GLU 101 H GLU 101 7.316 -8.117 -5.900 809 HA GLU 101 HA GLU 101 8.780 -10.437 -6.885 810 HB2 GLU 101 1HB GLU 101 9.918 -9.000 -8.413 811 HB3 GLU 101 2HB GLU 101 8.237 -8.510 -8.486 812 HG2 GLU 101 1HG GLU 101 8.705 -6.651 -6.881 813 HG3 GLU 101 2HG GLU 101 10.384 -7.144 -6.794 814 H ILE 102 H ILE 102 8.906 -7.493 -4.831 815 HA ILE 102 HA ILE 102 11.484 -7.329 -4.130 816 HB ILE 102 HB ILE 102 10.584 -6.758 -1.803 817 HG12 ILE 102 1HG1 ILE 102 8.166 -7.852 -3.079 818 HG13 ILE 102 2HG1 ILE 102 8.575 -7.686 -1.383 819 HG21 ILE 102 1HG2 ILE 102 10.027 -4.624 -2.512 820 HG22 ILE 102 2HG2 ILE 102 10.993 -5.244 -3.872 821 HG23 ILE 102 3HG2 ILE 102 9.217 -5.207 -3.986 822 HD11 ILE 102 1HD1 ILE 102 6.788 -6.165 -1.641 823 HD12 ILE 102 2HD1 ILE 102 8.217 -5.111 -1.774 824 HD13 ILE 102 3HD1 ILE 102 7.353 -5.628 -3.242 825 H ASN 103 H ASN 103 12.977 -8.372 -2.788 826 HA ASN 103 HA ASN 103 12.298 -11.126 -2.309 827 HB2 ASN 103 1HB ASN 103 14.820 -11.205 -1.666 828 HB3 ASN 103 2HB ASN 103 14.444 -10.866 -3.343 829 HD21 ASN 103 1HD2 ASN 103 14.798 -8.866 -4.211 830 HD22 ASN 103 2HD2 ASN 103 15.694 -7.610 -3.424 831 H THR 104 H THR 104 13.266 -8.090 -0.630 832 HA THR 104 HA THR 104 13.573 -7.615 1.550 833 HB THR 104 HB THR 104 11.464 -7.655 2.660 834 HG1 THR 104 1HG THR 104 10.168 -9.544 2.495 835 HG21 THR 104 1HG2 THR 104 9.760 -7.335 0.989 836 HG22 THR 104 2HG2 THR 104 11.270 -6.823 0.198 837 HG23 THR 104 3HG2 THR 104 10.577 -8.424 -0.157 838 H LYS 105 H LYS 105 12.778 -8.925 3.940 839 HA LYS 105 HA LYS 105 15.016 -10.580 4.287 840 HB2 LYS 105 1HB LYS 105 14.312 -10.761 6.536 841 HB3 LYS 105 2HB LYS 105 13.869 -9.147 6.020 842 HG2 LYS 105 1HG LYS 105 11.532 -10.006 5.519 843 HG3 LYS 105 2HG LYS 105 12.001 -11.558 6.183 844 HD2 LYS 105 1HD LYS 105 12.744 -9.464 8.057 845 HD3 LYS 105 2HD LYS 105 11.064 -9.253 7.603 846 HE2 LYS 105 1HE LYS 105 11.858 -12.075 8.168 847 HE3 LYS 105 2HE LYS 105 11.942 -11.001 9.549 848 HZ1 LYS 105 1HZ LYS 105 9.773 -11.289 9.682 849 HZ2 LYS 105 2HZ LYS 105 9.599 -10.373 8.341 850 HZ3 LYS 105 3HZ LYS 105 9.663 -12.000 8.216 851 H LYS 106 H LYS 106 15.322 -12.748 4.053 852 HA LYS 106 HA LYS 106 12.931 -14.403 3.755 853 HB2 LYS 106 1HB LYS 106 13.958 -13.605 1.508 854 HB3 LYS 106 2HB LYS 106 15.261 -14.719 1.868 855 HG2 LYS 106 1HG LYS 106 12.804 -16.112 2.394 856 HG3 LYS 106 2HG LYS 106 12.611 -15.306 0.850 857 HD2 LYS 106 1HD LYS 106 15.268 -16.559 1.116 858 HD3 LYS 106 2HD LYS 106 13.972 -17.724 1.304 859 HE2 LYS 106 1HE LYS 106 13.082 -17.281 -0.863 860 HE3 LYS 106 2HE LYS 106 13.895 -15.734 -0.987 861 HZ1 LYS 106 1HZ LYS 106 15.165 -17.135 -2.262 862 HZ2 LYS 106 2HZ LYS 106 16.001 -17.133 -0.859 863 HZ3 LYS 106 3HZ LYS 106 15.047 -18.402 -1.239 864 H ILE 107 H ILE 107 13.594 -14.775 6.068 865 HA ILE 107 HA ILE 107 15.886 -15.675 7.037 866 HB ILE 107 HB ILE 107 14.372 -17.388 8.321 867 HG12 ILE 107 1HG1 ILE 107 12.009 -15.859 7.956 868 HG13 ILE 107 2HG1 ILE 107 12.542 -16.342 6.358 869 HG21 ILE 107 1HG2 ILE 107 13.487 -14.595 8.798 870 HG22 ILE 107 2HG2 ILE 107 14.174 -15.797 9.916 871 HG23 ILE 107 3HG2 ILE 107 15.242 -14.894 8.814 872 HD11 ILE 107 1HD1 ILE 107 11.473 -18.305 6.842 873 HD12 ILE 107 2HD1 ILE 107 12.949 -18.681 7.763 874 HD13 ILE 107 3HD1 ILE 107 11.527 -18.009 8.597 875 H ASN 108 H ASN 108 13.505 -18.132 5.822 876 HA ASN 108 HA ASN 108 15.716 -19.412 4.467 877 HB2 ASN 108 1HB ASN 108 14.417 -20.398 6.909 878 HB3 ASN 108 2HB ASN 108 14.178 -21.534 5.596 879 HD21 ASN 108 1HD2 ASN 108 15.906 -21.374 8.106 880 HD22 ASN 108 2HD2 ASN 108 17.495 -21.831 7.589 881 HA PRO 109 HA PRO 109 12.491 -20.337 1.641 882 HB2 PRO 109 1HB PRO 109 13.276 -22.689 0.492 883 HB3 PRO 109 2HB PRO 109 13.950 -21.133 0.048 884 HG2 PRO 109 1HG PRO 109 15.158 -23.279 1.684 885 HG3 PRO 109 2HG PRO 109 15.946 -21.933 0.884 886 HD2 PRO 109 1HD PRO 109 15.370 -22.167 3.684 887 HD3 PRO 109 2HD PRO 109 16.051 -20.775 2.867 888 H GLU 110 H GLU 110 13.318 -23.243 3.461 889 HA GLU 110 HA GLU 110 10.438 -23.689 3.620 890 HB2 GLU 110 1HB GLU 110 12.560 -25.860 3.823 891 HB3 GLU 110 2HB GLU 110 10.831 -26.073 3.636 892 HG2 GLU 110 1HG GLU 110 11.763 -24.392 1.475 893 HG3 GLU 110 2HG GLU 110 12.821 -25.785 1.574 894 H ASN 111 H ASN 111 11.525 -26.041 5.523 895 HA ASN 111 HA ASN 111 11.619 -24.278 7.839 896 HB2 ASN 111 1HB ASN 111 10.147 -26.737 7.225 897 HB3 ASN 111 2HB ASN 111 11.119 -26.971 8.665 898 HD21 ASN 111 1HD2 ASN 111 9.749 -26.837 10.290 899 HD22 ASN 111 2HD2 ASN 111 8.666 -25.528 10.625 900 H SER 112 H SER 112 13.956 -24.026 7.865 901 HA SER 112 HA SER 112 15.346 -26.513 8.477 902 HB2 SER 112 1HB SER 112 15.938 -24.483 6.414 903 HB3 SER 112 2HB SER 112 17.313 -24.816 7.448 904 HG SER 112 HG SER 112 17.487 -26.364 5.880 905 H LYS 113 H LYS 113 17.183 -26.258 9.993 906 HA LYS 113 HA LYS 113 16.599 -24.599 12.125 907 HB2 LYS 113 1HB LYS 113 19.173 -26.002 11.354 908 HB3 LYS 113 2HB LYS 113 18.903 -25.228 12.903 909 HG2 LYS 113 1HG LYS 113 16.708 -26.711 12.971 910 HG3 LYS 113 2HG LYS 113 17.518 -27.663 11.743 911 HD2 LYS 113 1HD LYS 113 18.646 -28.728 13.397 912 HD3 LYS 113 2HD LYS 113 19.500 -27.232 13.716 913 HE2 LYS 113 1HE LYS 113 17.873 -26.549 15.386 914 HE3 LYS 113 2HE LYS 113 16.762 -27.822 14.920 915 HZ1 LYS 113 1HZ LYS 113 18.976 -27.954 16.663 916 HZ2 LYS 113 2HZ LYS 113 17.750 -29.016 16.470 917 HZ3 LYS 113 3HZ LYS 113 19.072 -29.112 15.515 918 H LEU 114 H LEU 114 18.359 -22.987 13.058 919 HA LEU 114 HA LEU 114 19.327 -21.290 10.881 920 HB2 LEU 114 1HB LEU 114 17.536 -20.000 11.245 921 HB3 LEU 114 2HB LEU 114 17.215 -20.682 12.827 922 HG LEU 114 HG LEU 114 19.172 -19.286 13.687 923 HD11 LEU 114 1HD1 LEU 114 19.598 -17.210 12.286 924 HD12 LEU 114 2HD1 LEU 114 20.351 -18.721 11.723 925 HD13 LEU 114 3HD1 LEU 114 18.886 -18.104 10.921 926 HD21 LEU 114 1HD2 LEU 114 17.476 -18.118 14.506 927 HD22 LEU 114 2HD2 LEU 114 17.453 -17.143 13.018 928 HD23 LEU 114 3HD2 LEU 114 16.439 -18.600 13.142 929 H SER 115 H SER 115 21.497 -21.312 11.134 930 HA SER 115 HA SER 115 22.465 -21.314 13.880 931 HB2 SER 115 1HB SER 115 23.597 -22.347 11.273 932 HB3 SER 115 2HB SER 115 24.694 -21.930 12.574 933 HG SER 115 HG SER 115 23.973 -23.593 13.798 934 H ASP 116 H ASP 116 22.515 -19.100 14.393 935 HA ASP 116 HA ASP 116 24.506 -17.613 12.953 936 HB2 ASP 116 1HB ASP 116 21.573 -16.939 13.014 937 HB3 ASP 116 2HB ASP 116 22.695 -15.606 13.197 938 H LEU 117 H LEU 117 25.589 -17.961 15.078 939 HA LEU 117 HA LEU 117 24.297 -16.662 17.346 940 HB2 LEU 117 1HB LEU 117 26.266 -18.809 16.962 941 HB3 LEU 117 2HB LEU 117 26.658 -17.699 18.260 942 HG LEU 117 HG LEU 117 23.900 -18.884 18.107 943 HD11 LEU 117 1HD1 LEU 117 25.119 -20.582 19.833 944 HD12 LEU 117 2HD1 LEU 117 24.812 -20.940 18.117 945 HD13 LEU 117 3HD1 LEU 117 26.411 -20.351 18.630 946 HD21 LEU 117 1HD2 LEU 117 24.755 -18.794 20.739 947 HD22 LEU 117 2HD2 LEU 117 25.481 -17.340 20.013 948 HD23 LEU 117 3HD2 LEU 117 23.722 -17.599 19.919 949 H ASP 118 H ASP 118 24.972 -14.729 18.186 950 HA ASP 118 HA ASP 118 26.504 -13.085 16.594 951 HB2 ASP 118 1HB ASP 118 26.122 -12.764 19.601 952 HB3 ASP 118 2HB ASP 118 26.362 -11.487 18.426 953 H SER 119 H SER 119 28.716 -12.292 16.877 954 HA SER 119 HA SER 119 30.401 -12.644 18.871 955 HB2 SER 119 1HB SER 119 30.304 -14.969 19.112 956 HB3 SER 119 2HB SER 119 30.081 -15.250 17.397 957 HG SER 119 HG SER 119 32.480 -14.813 18.869 958 H GLU 120 H GLU 120 29.766 -12.888 15.402 959 HA GLU 120 HA GLU 120 30.806 -12.173 13.634 960 HB2 GLU 120 1HB GLU 120 31.817 -10.020 13.706 961 HB3 GLU 120 2HB GLU 120 30.671 -10.022 15.032 962 HG2 GLU 120 1HG GLU 120 32.327 -10.035 16.660 963 HG3 GLU 120 2HG GLU 120 33.431 -10.989 15.690 964 H THR 121 H THR 121 32.701 -12.502 12.326 965 HA THR 121 HA THR 121 35.201 -13.131 13.581 966 HB THR 121 HB THR 121 33.975 -15.242 14.006 967 HG1 THR 121 1HG THR 121 36.259 -15.139 13.130 968 HG21 THR 121 1HG2 THR 121 33.149 -16.610 12.131 969 HG22 THR 121 2HG2 THR 121 32.310 -15.041 12.097 970 HG23 THR 121 3HG2 THR 121 33.644 -15.362 10.963 971 H ARG 122 H ARG 122 36.938 -13.195 12.110 972 HA ARG 122 HA ARG 122 36.339 -13.089 9.338 973 HB2 ARG 122 1HB ARG 122 36.637 -10.609 10.865 974 HB3 ARG 122 2HB ARG 122 37.921 -10.737 9.680 975 HG2 ARG 122 1HG ARG 122 35.023 -11.261 8.915 976 HG3 ARG 122 2HG ARG 122 35.669 -9.632 8.944 977 HD2 ARG 122 1HD ARG 122 37.611 -11.150 7.537 978 HD3 ARG 122 2HD ARG 122 36.071 -11.744 6.948 979 HE ARG 122 HE ARG 122 35.676 -9.669 5.926 980 HH11 ARG 122 2HH2 ARG 122 38.302 -9.346 8.246 981 HH12 ARG 122 1HH2 ARG 122 38.712 -7.738 7.751 982 HH21 ARG 122 2HH1 ARG 122 36.217 -7.548 5.272 983 HH22 ARG 122 1HH1 ARG 122 37.519 -6.708 6.048 984 H SER 123 H SER 123 37.867 -14.665 8.839 985 HA SER 123 HA SER 123 40.592 -14.035 9.651 986 HB2 SER 123 1HB SER 123 39.188 -16.149 10.699 987 HB3 SER 123 2HB SER 123 39.913 -16.919 9.301 988 HG SER 123 HG SER 123 41.196 -16.931 11.366 989 H MET 124 H MET 124 42.226 -15.334 8.191 990 HA MET 124 HA MET 124 41.079 -15.720 5.549 991 HB2 MET 124 1HB MET 124 42.374 -13.393 6.165 992 HB3 MET 124 2HB MET 124 43.775 -14.373 5.783 993 HG2 MET 124 1HG MET 124 41.798 -14.864 3.740 994 HG3 MET 124 2HG MET 124 41.907 -13.129 3.959 995 HE1 MET 124 1HE MET 124 44.463 -12.706 1.314 996 HE2 MET 124 2HE MET 124 42.758 -13.215 1.357 997 HE3 MET 124 3HE MET 124 43.323 -11.906 2.423 998 H VAL 125 H VAL 125 42.407 -17.088 4.118 999 HA VAL 125 HA VAL 125 44.457 -18.591 5.585 1000 HB VAL 125 HB VAL 125 42.351 -19.743 3.746 1001 HG11 VAL 125 1HG1 VAL 125 43.201 -21.910 4.428 1002 HG12 VAL 125 2HG1 VAL 125 44.534 -20.935 3.765 1003 HG13 VAL 125 3HG1 VAL 125 44.374 -21.144 5.525 1004 HG21 VAL 125 1HG2 VAL 125 41.406 -20.777 5.789 1005 HG22 VAL 125 2HG2 VAL 125 42.553 -19.839 6.775 1006 HG23 VAL 125 3HG2 VAL 125 41.309 -19.000 5.817 1007 H SER 126 H SER 126 46.279 -17.769 4.612 1008 HA SER 126 HA SER 126 46.261 -17.893 1.697 1009 HB2 SER 126 1HB SER 126 47.985 -16.087 1.748 1010 HB3 SER 126 2HB SER 126 46.456 -15.575 2.434 1011 HG SER 126 HG SER 126 48.464 -15.019 3.679 1012 H GLY 127 H GLY 127 48.331 -18.565 0.683 1013 HA2 GLY 127 1HA GLY 127 50.269 -19.818 2.492 1014 HA3 GLY 127 2HA GLY 127 49.430 -20.840 1.342 1015 HA PRO 128 HA PRO 128 52.613 -17.991 -0.758 1016 HB2 PRO 128 1HB PRO 128 55.034 -18.067 0.507 1017 HB3 PRO 128 2HB PRO 128 53.895 -16.749 0.697 1018 HG2 PRO 128 1HG PRO 128 54.539 -18.929 2.587 1019 HG3 PRO 128 2HG PRO 128 53.747 -17.398 2.905 1020 HD2 PRO 128 1HD PRO 128 52.491 -19.968 2.690 1021 HD3 PRO 128 2HD PRO 128 51.689 -18.423 2.892 1022 H SER 129 H SER 129 54.949 -18.549 -1.763 1023 HA SER 129 HA SER 129 55.270 -21.395 -1.734 1024 HB2 SER 129 1HB SER 129 53.782 -20.041 -3.850 1025 HB3 SER 129 2HB SER 129 55.222 -20.791 -4.509 1026 HG SER 129 HG SER 129 53.016 -22.050 -4.125 1027 H SER 130 H SER 130 57.085 -21.868 -3.647 1028 HA SER 130 HA SER 130 59.155 -21.601 -4.237 1029 HB2 SER 130 1HB SER 130 58.077 -18.826 -4.460 1030 HB3 SER 130 2HB SER 130 59.825 -18.947 -4.431 1031 HG SER 130 HG SER 130 58.785 -20.876 -6.097 1032 H GLY 131 H GLY 131 61.373 -21.004 -3.440 1033 HA2 GLY 131 1HA GLY 131 61.458 -19.769 -0.790 1034 HA3 GLY 131 2HA GLY 131 61.945 -21.448 -0.914 Start of MODEL 17 1 H1 GLY 1 H GLY 1 25.066 -21.574 -1.984 2 HA2 GLY 1 1HA GLY 1 24.330 -19.077 -1.579 3 HA3 GLY 1 2HA GLY 1 22.881 -19.670 -2.366 4 H SER 2 H SER 2 22.726 -18.738 0.259 5 HA SER 2 HA SER 2 21.837 -21.126 1.541 6 HB2 SER 2 1HB SER 2 24.376 -19.905 2.284 7 HB3 SER 2 2HB SER 2 23.253 -19.801 3.625 8 HG SER 2 HG SER 2 23.576 -22.274 2.189 9 H SER 3 H SER 3 19.760 -20.098 1.281 10 HA SER 3 HA SER 3 19.445 -17.794 3.042 11 HB2 SER 3 1HB SER 3 19.007 -17.842 0.275 12 HB3 SER 3 2HB SER 3 17.397 -18.050 0.936 13 HG SER 3 HG SER 3 19.247 -15.939 1.662 14 H GLY 4 H GLY 4 17.641 -17.850 4.461 15 HA2 GLY 4 1HA GLY 4 15.641 -19.926 4.163 16 HA3 GLY 4 2HA GLY 4 16.743 -20.152 5.506 17 H SER 5 H SER 5 13.770 -19.463 5.376 18 HA SER 5 HA SER 5 12.351 -18.278 6.512 19 HB2 SER 5 1HB SER 5 14.840 -17.946 8.073 20 HB3 SER 5 2HB SER 5 13.697 -16.643 8.327 21 HG SER 5 HG SER 5 13.302 -19.469 8.754 22 H SER 6 H SER 6 11.308 -16.707 5.344 23 HA SER 6 HA SER 6 12.883 -14.544 4.296 24 HB2 SER 6 1HB SER 6 10.722 -15.994 3.327 25 HB3 SER 6 2HB SER 6 9.953 -14.505 3.839 26 HG SER 6 HG SER 6 12.262 -14.664 2.094 27 H GLY 7 H GLY 7 11.539 -12.285 4.300 28 HA2 GLY 7 1HA GLY 7 10.603 -11.850 7.074 29 HA3 GLY 7 2HA GLY 7 11.694 -10.755 6.248 30 HA PRO 8 HA PRO 8 7.208 -9.912 5.192 31 HB2 PRO 8 1HB PRO 8 6.337 -8.298 7.218 32 HB3 PRO 8 2HB PRO 8 5.980 -10.012 7.137 33 HG2 PRO 8 1HG PRO 8 7.911 -8.601 8.875 34 HG3 PRO 8 2HG PRO 8 7.236 -10.208 9.061 35 HD2 PRO 8 1HD PRO 8 9.867 -9.548 8.126 36 HD3 PRO 8 2HD PRO 8 9.152 -11.146 8.203 37 H ASN 9 H ASN 9 6.121 -7.372 5.517 38 HA ASN 9 HA ASN 9 8.234 -5.531 5.092 39 HB2 ASN 9 1HB ASN 9 6.345 -6.108 2.751 40 HB3 ASN 9 2HB ASN 9 7.633 -4.920 2.769 41 HD21 ASN 9 1HD2 ASN 9 6.752 -8.046 1.994 42 HD22 ASN 9 2HD2 ASN 9 8.309 -8.757 1.732 43 H TYR 10 H TYR 10 4.748 -6.409 4.638 44 HA TYR 10 HA TYR 10 4.040 -3.801 5.797 45 HB2 TYR 10 1HB TYR 10 1.939 -4.215 4.239 46 HB3 TYR 10 2HB TYR 10 3.418 -3.686 3.463 47 HD1 TYR 10 1HD TYR 10 1.225 -6.601 4.085 48 HD2 TYR 10 2HD TYR 10 4.619 -5.120 1.942 49 HE1 TYR 10 1HE TYR 10 1.171 -8.644 2.573 50 HE2 TYR 10 2HE TYR 10 4.554 -7.169 0.438 51 HH TYR 10 HH TYR 10 2.932 -9.905 1.190 52 H ARG 11 H ARG 11 1.994 -3.782 6.998 53 HA ARG 11 HA ARG 11 1.552 -6.395 8.163 54 HB2 ARG 11 1HB ARG 11 0.873 -3.572 9.122 55 HB3 ARG 11 2HB ARG 11 0.355 -5.013 9.974 56 HG2 ARG 11 1HG ARG 11 2.758 -5.731 10.181 57 HG3 ARG 11 2HG ARG 11 3.255 -4.256 9.376 58 HD2 ARG 11 1HD ARG 11 1.559 -3.332 11.419 59 HD3 ARG 11 2HD ARG 11 2.409 -4.664 12.176 60 HE ARG 11 HE ARG 11 3.549 -2.110 11.417 61 HH11 ARG 11 2HH2 ARG 11 4.318 -5.528 11.742 62 HH12 ARG 11 1HH2 ARG 11 6.010 -5.255 11.990 63 HH21 ARG 11 2HH1 ARG 11 5.782 -1.749 11.744 64 HH22 ARG 11 1HH1 ARG 11 6.849 -3.091 11.991 65 H TRP 12 H TRP 12 -0.634 -7.230 8.438 66 HA TRP 12 HA TRP 12 -2.813 -5.733 7.284 67 HB2 TRP 12 1HB TRP 12 -3.387 -7.278 5.578 68 HB3 TRP 12 2HB TRP 12 -1.734 -6.761 5.313 69 HD1 TRP 12 HD TRP 12 0.213 -8.657 5.733 70 HE1 TRP 12 1HE TRP 12 0.225 -11.295 5.753 71 HE3 TRP 12 3HE TRP 12 -4.819 -9.197 6.230 72 HZ2 TRP 12 2HZ TRP 12 -1.826 -13.268 5.970 73 HZ3 TRP 12 3HZ TRP 12 -5.732 -11.514 6.338 74 HH2 TRP 12 HH TRP 12 -4.324 -13.508 6.217 75 H THR 13 H THR 13 -4.845 -6.561 8.042 76 HA THR 13 HA THR 13 -4.735 -8.958 9.704 77 HB THR 13 HB THR 13 -5.661 -7.753 11.633 78 HG1 THR 13 1HG THR 13 -6.725 -5.902 11.058 79 HG21 THR 13 1HG2 THR 13 -3.092 -7.504 11.116 80 HG22 THR 13 2HG2 THR 13 -3.518 -5.858 10.590 81 HG23 THR 13 3HG2 THR 13 -3.825 -6.363 12.269 82 H GLN 14 H GLN 14 -7.251 -8.945 10.763 83 HA GLN 14 HA GLN 14 -9.239 -8.071 9.079 84 HB2 GLN 14 1HB GLN 14 -9.799 -9.921 7.697 85 HB3 GLN 14 2HB GLN 14 -8.065 -9.743 7.512 86 HG2 GLN 14 1HG GLN 14 -8.010 -11.452 9.585 87 HG3 GLN 14 2HG GLN 14 -9.610 -11.867 9.003 88 HE21 GLN 14 1HE2 GLN 14 -6.626 -12.908 8.938 89 HE22 GLN 14 2HE2 GLN 14 -6.475 -13.582 7.349 90 H THR 15 H THR 15 -11.392 -8.938 9.734 91 HA THR 15 HA THR 15 -11.231 -10.405 12.285 92 HB THR 15 HB THR 15 -11.694 -7.890 12.464 93 HG1 THR 15 1HG THR 15 -13.738 -9.908 13.071 94 HG21 THR 15 1HG2 THR 15 -13.223 -7.899 10.344 95 HG22 THR 15 2HG2 THR 15 -14.443 -8.663 11.392 96 HG23 THR 15 3HG2 THR 15 -13.832 -7.036 11.777 97 H LEU 16 H LEU 16 -11.442 -11.674 9.744 98 HA LEU 16 HA LEU 16 -12.646 -13.229 8.744 99 HB2 LEU 16 1HB LEU 16 -14.298 -13.054 11.265 100 HB3 LEU 16 2HB LEU 16 -14.558 -14.251 10.011 101 HG LEU 16 HG LEU 16 -11.798 -14.046 11.116 102 HD11 LEU 16 1HD1 LEU 16 -12.219 -15.128 13.146 103 HD12 LEU 16 2HD1 LEU 16 -13.457 -13.851 13.064 104 HD13 LEU 16 3HD1 LEU 16 -13.891 -15.537 12.692 105 HD21 LEU 16 1HD2 LEU 16 -13.596 -16.342 10.296 106 HD22 LEU 16 2HD2 LEU 16 -12.242 -15.649 9.372 107 HD23 LEU 16 3HD2 LEU 16 -11.929 -16.514 10.896 108 H ALA 17 H ALA 17 -13.316 -10.155 8.749 109 HA ALA 17 HA ALA 17 -15.664 -10.506 7.057 110 HB1 ALA 17 1HB ALA 17 -15.609 -9.189 9.672 111 HB2 ALA 17 2HB ALA 17 -16.130 -8.086 8.375 112 HB3 ALA 17 3HB ALA 17 -16.997 -9.617 8.643 113 H GLU 18 H GLU 18 -13.634 -7.821 8.440 114 HA GLU 18 HA GLU 18 -13.232 -6.961 5.693 115 HB2 GLU 18 1HB GLU 18 -12.710 -4.755 6.627 116 HB3 GLU 18 2HB GLU 18 -14.250 -5.312 7.250 117 HG2 GLU 18 1HG GLU 18 -13.423 -4.902 9.327 118 HG3 GLU 18 2HG GLU 18 -12.435 -6.333 9.116 119 H LEU 19 H LEU 19 -11.035 -6.139 5.085 120 HA LEU 19 HA LEU 19 -8.958 -7.537 6.623 121 HB2 LEU 19 1HB LEU 19 -9.681 -7.630 3.795 122 HB3 LEU 19 2HB LEU 19 -7.990 -7.248 4.049 123 HG LEU 19 HG LEU 19 -9.073 -9.532 5.617 124 HD11 LEU 19 1HD1 LEU 19 -8.917 -11.096 3.758 125 HD12 LEU 19 2HD1 LEU 19 -10.163 -9.863 3.443 126 HD13 LEU 19 3HD1 LEU 19 -8.580 -9.756 2.635 127 HD21 LEU 19 1HD2 LEU 19 -6.490 -8.731 4.328 128 HD22 LEU 19 2HD2 LEU 19 -6.823 -9.260 5.994 129 HD23 LEU 19 3HD2 LEU 19 -6.802 -10.450 4.671 130 H ASP 20 H ASP 20 -7.555 -6.189 7.600 131 HA ASP 20 HA ASP 20 -7.493 -3.466 6.631 132 HB2 ASP 20 1HB ASP 20 -7.213 -4.798 9.212 133 HB3 ASP 20 2HB ASP 20 -5.810 -3.790 8.918 134 H LEU 21 H LEU 21 -5.489 -2.481 5.943 135 HA LEU 21 HA LEU 21 -3.119 -4.180 5.984 136 HB2 LEU 21 1HB LEU 21 -3.846 -4.768 3.882 137 HB3 LEU 21 2HB LEU 21 -4.568 -3.203 3.563 138 HG LEU 21 HG LEU 21 -2.236 -2.245 3.416 139 HD11 LEU 21 1HD1 LEU 21 -1.572 -5.060 4.033 140 HD12 LEU 21 2HD1 LEU 21 -0.619 -4.304 2.733 141 HD13 LEU 21 3HD1 LEU 21 -0.665 -3.561 4.350 142 HD21 LEU 21 1HD2 LEU 21 -2.402 -2.461 1.204 143 HD22 LEU 21 2HD2 LEU 21 -2.188 -4.226 1.273 144 HD23 LEU 21 3HD2 LEU 21 -3.801 -3.516 1.520 145 H ALA 22 H ALA 22 -1.176 -3.026 6.145 146 HA ALA 22 HA ALA 22 -1.330 -0.131 5.952 147 HB1 ALA 22 1HB ALA 22 -1.953 -0.859 8.320 148 HB2 ALA 22 2HB ALA 22 -0.292 -1.481 8.468 149 HB3 ALA 22 3HB ALA 22 -0.571 0.254 8.188 150 H VAL 23 H VAL 23 0.400 0.517 4.779 151 HA VAL 23 HA VAL 23 2.832 -1.115 5.008 152 HB VAL 23 HB VAL 23 1.663 0.151 2.522 153 HG11 VAL 23 1HG1 VAL 23 4.356 -0.700 3.183 154 HG12 VAL 23 2HG1 VAL 23 3.700 -1.657 1.833 155 HG13 VAL 23 3HG1 VAL 23 3.748 0.119 1.724 156 HG21 VAL 23 1HG2 VAL 23 1.071 -2.327 3.753 157 HG22 VAL 23 2HG2 VAL 23 0.592 -1.766 2.133 158 HG23 VAL 23 3HG2 VAL 23 2.096 -2.695 2.345 159 HA PRO 24 HA PRO 24 4.106 2.953 6.158 160 HB2 PRO 24 1HB PRO 24 6.291 2.189 7.611 161 HB3 PRO 24 2HB PRO 24 4.688 2.343 8.301 162 HG2 PRO 24 1HG PRO 24 6.177 -0.113 7.603 163 HG3 PRO 24 2HG PRO 24 4.791 0.067 8.660 164 HD2 PRO 24 1HD PRO 24 4.785 -0.961 5.982 165 HD3 PRO 24 2HD PRO 24 3.386 -0.672 6.997 166 H PHE 25 H PHE 25 5.387 4.462 5.203 167 HA PHE 25 HA PHE 25 7.438 3.259 3.479 168 HB2 PHE 25 1HB PHE 25 5.520 5.639 3.175 169 HB3 PHE 25 2HB PHE 25 6.897 5.436 2.110 170 HD1 PHE 25 2HD PHE 25 6.794 2.431 1.815 171 HD2 PHE 25 1HD PHE 25 3.744 5.378 1.661 172 HE1 PHE 25 2HE PHE 25 5.426 0.938 0.332 173 HE2 PHE 25 1HE PHE 25 2.377 3.885 0.177 174 HZ PHE 25 HZ PHE 25 3.234 1.683 -0.470 175 H ARG 26 H ARG 26 9.447 4.366 3.277 176 HA ARG 26 HA ARG 26 9.998 5.994 5.562 177 HB2 ARG 26 1HB ARG 26 11.552 4.407 3.581 178 HB3 ARG 26 2HB ARG 26 12.352 5.887 4.070 179 HG2 ARG 26 1HG ARG 26 11.516 4.988 6.518 180 HG3 ARG 26 2HG ARG 26 11.698 3.455 5.690 181 HD2 ARG 26 1HD ARG 26 14.041 4.113 5.031 182 HD3 ARG 26 2HD ARG 26 13.852 5.614 5.915 183 HE ARG 26 HE ARG 26 13.197 3.439 7.662 184 HH11 ARG 26 2HH2 ARG 26 15.980 4.884 6.066 185 HH12 ARG 26 1HH2 ARG 26 17.107 4.353 7.269 186 HH21 ARG 26 2HH1 ARG 26 14.683 2.738 9.250 187 HH22 ARG 26 1HH1 ARG 26 16.364 3.124 9.093 188 H VAL 27 H VAL 27 8.839 7.968 5.008 189 HA VAL 27 HA VAL 27 10.162 9.479 2.864 190 HB VAL 27 HB VAL 27 7.854 10.653 2.758 191 HG11 VAL 27 1HG1 VAL 27 8.513 9.617 0.797 192 HG12 VAL 27 2HG1 VAL 27 8.646 8.014 1.559 193 HG13 VAL 27 3HG1 VAL 27 7.043 8.698 1.200 194 HG21 VAL 27 1HG2 VAL 27 5.968 9.574 3.521 195 HG22 VAL 27 2HG2 VAL 27 6.742 7.971 3.510 196 HG23 VAL 27 3HG2 VAL 27 7.126 9.136 4.800 197 H SER 28 H SER 28 10.041 11.893 3.231 198 HA SER 28 HA SER 28 10.276 12.356 6.096 199 HB2 SER 28 1HB SER 28 12.067 12.887 4.002 200 HB3 SER 28 2HB SER 28 11.355 14.454 4.333 201 HG SER 28 HG SER 28 12.823 12.736 6.117 202 H PHE 29 H PHE 29 7.883 12.462 4.023 203 HA PHE 29 HA PHE 29 6.877 14.997 5.048 204 HB2 PHE 29 1HB PHE 29 5.873 15.225 2.619 205 HB3 PHE 29 2HB PHE 29 7.566 15.627 2.825 206 HD1 PHE 29 2HD PHE 29 5.302 12.875 1.784 207 HD2 PHE 29 1HD PHE 29 9.212 14.511 1.588 208 HE1 PHE 29 2HE PHE 29 5.915 11.198 0.020 209 HE2 PHE 29 1HE PHE 29 9.825 12.833 -0.176 210 HZ PHE 29 HZ PHE 29 8.169 11.197 -0.939 211 H ARG 30 H ARG 30 4.432 15.164 4.693 212 HA ARG 30 HA ARG 30 3.333 12.675 5.480 213 HB2 ARG 30 1HB ARG 30 2.491 15.523 5.392 214 HB3 ARG 30 2HB ARG 30 1.176 14.408 5.075 215 HG2 ARG 30 1HG ARG 30 1.074 13.778 7.255 216 HG3 ARG 30 2HG ARG 30 2.791 13.426 7.300 217 HD2 ARG 30 1HD ARG 30 3.346 15.515 8.148 218 HD3 ARG 30 2HD ARG 30 2.067 16.335 7.273 219 HE ARG 30 HE ARG 30 0.594 15.940 9.066 220 HH11 ARG 30 2HH2 ARG 30 3.502 14.001 9.467 221 HH12 ARG 30 1HH2 ARG 30 3.109 13.515 11.082 222 HH21 ARG 30 2HH1 ARG 30 0.075 15.300 11.197 223 HH22 ARG 30 1HH1 ARG 30 1.147 14.259 12.073 224 H LEU 31 H LEU 31 3.126 11.160 3.819 225 HA LEU 31 HA LEU 31 2.729 11.746 1.155 226 HB2 LEU 31 1HB LEU 31 2.272 9.338 2.874 227 HB3 LEU 31 2HB LEU 31 1.734 9.324 1.206 228 HG LEU 31 HG LEU 31 4.575 10.049 1.910 229 HD11 LEU 31 1HD1 LEU 31 3.286 7.388 2.052 230 HD12 LEU 31 2HD1 LEU 31 4.825 7.466 1.161 231 HD13 LEU 31 3HD1 LEU 31 4.749 8.010 2.855 232 HD21 LEU 31 1HD2 LEU 31 3.900 10.576 -0.345 233 HD22 LEU 31 2HD2 LEU 31 5.007 9.182 -0.373 234 HD23 LEU 31 3HD2 LEU 31 3.257 8.933 -0.579 235 H LYS 32 H LYS 32 0.968 12.137 -0.155 236 HA LYS 32 HA LYS 32 -1.574 12.439 1.282 237 HB2 LYS 32 1HB LYS 32 -0.231 14.028 -0.871 238 HB3 LYS 32 2HB LYS 32 -1.981 13.958 -0.860 239 HG2 LYS 32 1HG LYS 32 -0.867 14.415 1.836 240 HG3 LYS 32 2HG LYS 32 -0.383 15.659 0.701 241 HD2 LYS 32 1HD LYS 32 -2.612 16.326 0.266 242 HD3 LYS 32 2HD LYS 32 -3.282 14.789 0.774 243 HE2 LYS 32 1HE LYS 32 -2.170 15.522 3.134 244 HE3 LYS 32 2HE LYS 32 -2.388 17.122 2.454 245 HZ1 LYS 32 1HZ LYS 32 -4.730 16.252 1.942 246 HZ2 LYS 32 2HZ LYS 32 -4.415 15.133 3.089 247 HZ3 LYS 32 3HZ LYS 32 -4.377 16.722 3.465 248 H GLY 33 H GLY 33 -3.506 12.301 -0.438 249 HA2 GLY 33 1HA GLY 33 -3.320 9.613 -1.514 250 HA3 GLY 33 2HA GLY 33 -4.749 10.617 -1.370 251 H LYS 34 H LYS 34 -2.077 12.360 -2.698 252 HA LYS 34 HA LYS 34 -3.169 11.922 -5.390 253 HB2 LYS 34 1HB LYS 34 -2.833 14.193 -5.883 254 HB3 LYS 34 2HB LYS 34 -3.557 14.181 -4.287 255 HG2 LYS 34 1HG LYS 34 -0.773 13.996 -3.802 256 HG3 LYS 34 2HG LYS 34 -0.913 15.148 -5.115 257 HD2 LYS 34 1HD LYS 34 -2.904 16.114 -3.570 258 HD3 LYS 34 2HD LYS 34 -1.980 15.332 -2.303 259 HE2 LYS 34 1HE LYS 34 -0.043 16.687 -3.873 260 HE3 LYS 34 2HE LYS 34 -1.389 17.804 -3.765 261 HZ1 LYS 34 1HZ LYS 34 -0.893 16.575 -1.279 262 HZ2 LYS 34 2HZ LYS 34 0.456 17.307 -1.835 263 HZ3 LYS 34 3HZ LYS 34 -0.922 18.163 -1.655 264 H ASP 35 H ASP 35 -0.766 10.866 -3.488 265 HA ASP 35 HA ASP 35 1.047 10.789 -5.748 266 HB2 ASP 35 1HB ASP 35 1.751 12.540 -3.992 267 HB3 ASP 35 2HB ASP 35 1.984 11.210 -2.875 268 H VAL 36 H VAL 36 -0.930 8.881 -4.660 269 HA VAL 36 HA VAL 36 0.923 6.789 -3.764 270 HB VAL 36 HB VAL 36 -1.917 7.175 -2.804 271 HG11 VAL 36 1HG1 VAL 36 -0.893 5.527 -1.002 272 HG12 VAL 36 2HG1 VAL 36 -1.551 4.919 -2.540 273 HG13 VAL 36 3HG1 VAL 36 0.207 5.112 -2.338 274 HG21 VAL 36 1HG2 VAL 36 0.402 7.493 -0.953 275 HG22 VAL 36 2HG2 VAL 36 0.054 8.832 -2.073 276 HG23 VAL 36 3HG2 VAL 36 -1.197 8.274 -0.936 277 H VAL 37 H VAL 37 -0.188 4.531 -4.126 278 HA VAL 37 HA VAL 37 -1.951 4.582 -6.436 279 HB VAL 37 HB VAL 37 0.858 3.500 -6.401 280 HG11 VAL 37 1HG1 VAL 37 -1.450 2.183 -7.497 281 HG12 VAL 37 2HG1 VAL 37 -0.409 2.744 -8.827 282 HG13 VAL 37 3HG1 VAL 37 0.259 1.690 -7.557 283 HG21 VAL 37 1HG2 VAL 37 0.911 4.631 -8.645 284 HG22 VAL 37 2HG2 VAL 37 -0.710 5.278 -8.296 285 HG23 VAL 37 3HG2 VAL 37 0.671 5.732 -7.268 286 H VAL 38 H VAL 38 -3.634 3.533 -5.446 287 HA VAL 38 HA VAL 38 -2.977 0.902 -4.323 288 HB VAL 38 HB VAL 38 -4.644 3.127 -3.203 289 HG11 VAL 38 1HG1 VAL 38 -5.116 0.163 -2.824 290 HG12 VAL 38 2HG1 VAL 38 -5.599 1.368 -1.605 291 HG13 VAL 38 3HG1 VAL 38 -6.290 1.434 -3.245 292 HG21 VAL 38 1HG2 VAL 38 -2.372 1.404 -2.330 293 HG22 VAL 38 2HG2 VAL 38 -2.682 3.133 -2.040 294 HG23 VAL 38 3HG2 VAL 38 -3.544 1.902 -1.086 295 H ASP 39 H ASP 39 -3.675 -0.488 -5.882 296 HA ASP 39 HA ASP 39 -6.103 0.218 -7.280 297 HB2 ASP 39 1HB ASP 39 -3.769 -0.809 -8.210 298 HB3 ASP 39 2HB ASP 39 -4.585 -2.318 -7.848 299 H ILE 40 H ILE 40 -7.839 -0.372 -5.893 300 HA ILE 40 HA ILE 40 -7.689 -2.928 -4.525 301 HB ILE 40 HB ILE 40 -9.514 -0.545 -4.390 302 HG12 ILE 40 1HG1 ILE 40 -7.749 -1.933 -2.351 303 HG13 ILE 40 2HG1 ILE 40 -7.388 -0.428 -3.173 304 HG21 ILE 40 1HG2 ILE 40 -11.235 -1.807 -3.785 305 HG22 ILE 40 2HG2 ILE 40 -10.255 -3.288 -3.906 306 HG23 ILE 40 3HG2 ILE 40 -10.286 -2.363 -2.385 307 HD11 ILE 40 1HD1 ILE 40 -8.288 0.280 -1.101 308 HD12 ILE 40 2HD1 ILE 40 -9.671 0.417 -2.212 309 HD13 ILE 40 3HD1 ILE 40 -9.547 -0.979 -1.114 310 H GLN 41 H GLN 41 -8.275 -4.735 -5.591 311 HA GLN 41 HA GLN 41 -10.411 -4.417 -7.554 312 HB2 GLN 41 1HB GLN 41 -7.873 -6.032 -7.572 313 HB3 GLN 41 2HB GLN 41 -9.273 -6.719 -8.370 314 HG2 GLN 41 1HG GLN 41 -8.438 -3.850 -8.924 315 HG3 GLN 41 2HG GLN 41 -7.653 -5.179 -9.753 316 HE21 GLN 41 1HE2 GLN 41 -8.433 -4.593 -11.744 317 HE22 GLN 41 2HE2 GLN 41 -10.083 -4.794 -12.231 318 H ARG 42 H ARG 42 -11.133 -7.063 -7.979 319 HA ARG 42 HA ARG 42 -12.528 -7.565 -5.569 320 HB2 ARG 42 1HB ARG 42 -13.632 -7.901 -7.747 321 HB3 ARG 42 2HB ARG 42 -12.411 -9.060 -8.235 322 HG2 ARG 42 1HG ARG 42 -14.104 -10.500 -7.512 323 HG3 ARG 42 2HG ARG 42 -13.152 -10.364 -6.047 324 HD2 ARG 42 1HD ARG 42 -14.849 -9.335 -4.923 325 HD3 ARG 42 2HD ARG 42 -15.113 -8.185 -6.220 326 HE ARG 42 HE ARG 42 -16.665 -10.556 -5.721 327 HH11 ARG 42 2HH2 ARG 42 -15.354 -8.651 -8.373 328 HH12 ARG 42 1HH2 ARG 42 -16.581 -9.135 -9.496 329 HH21 ARG 42 2HH1 ARG 42 -18.284 -11.195 -7.202 330 HH22 ARG 42 1HH1 ARG 42 -18.258 -10.592 -8.825 331 H ARG 43 H ARG 43 -9.827 -9.041 -7.426 332 HA ARG 43 HA ARG 43 -9.230 -10.597 -5.068 333 HB2 ARG 43 1HB ARG 43 -10.488 -11.881 -7.087 334 HB3 ARG 43 2HB ARG 43 -8.865 -11.948 -7.745 335 HG2 ARG 43 1HG ARG 43 -8.025 -13.163 -5.839 336 HG3 ARG 43 2HG ARG 43 -9.449 -12.804 -4.882 337 HD2 ARG 43 1HD ARG 43 -10.604 -14.576 -5.744 338 HD3 ARG 43 2HD ARG 43 -10.164 -14.167 -7.390 339 HE ARG 43 HE ARG 43 -7.924 -15.289 -5.888 340 HH11 ARG 43 2HH2 ARG 43 -10.783 -16.090 -7.777 341 HH12 ARG 43 1HH2 ARG 43 -10.203 -17.659 -8.226 342 HH21 ARG 43 2HH1 ARG 43 -7.158 -17.358 -6.481 343 HH22 ARG 43 1HH1 ARG 43 -8.128 -18.385 -7.484 344 H HIS 44 H HIS 44 -7.855 -8.361 -5.438 345 HA HIS 44 HA HIS 44 -5.246 -9.176 -5.882 346 HB2 HIS 44 1HB HIS 44 -6.472 -8.854 -8.309 347 HB3 HIS 44 2HB HIS 44 -5.803 -7.254 -8.056 348 HD1 HIS 44 1HD HIS 44 -3.113 -7.186 -7.571 349 HD2 HIS 44 2HD HIS 44 -4.658 -10.743 -9.170 350 HE1 HIS 44 1HE HIS 44 -1.120 -8.471 -8.513 351 H LEU 45 H LEU 45 -3.815 -7.640 -5.028 352 HA LEU 45 HA LEU 45 -5.006 -5.032 -4.412 353 HB2 LEU 45 1HB LEU 45 -4.956 -6.824 -2.517 354 HB3 LEU 45 2HB LEU 45 -3.245 -6.452 -2.447 355 HG LEU 45 HG LEU 45 -3.617 -4.240 -1.746 356 HD11 LEU 45 1HD1 LEU 45 -5.179 -3.248 -3.086 357 HD12 LEU 45 2HD1 LEU 45 -6.330 -4.598 -2.944 358 HD13 LEU 45 3HD1 LEU 45 -6.136 -3.449 -1.599 359 HD21 LEU 45 1HD2 LEU 45 -5.013 -6.392 -0.388 360 HD22 LEU 45 2HD2 LEU 45 -4.023 -5.069 0.276 361 HD23 LEU 45 3HD2 LEU 45 -5.754 -4.809 -0.048 362 H ARG 46 H ARG 46 -3.800 -3.409 -5.227 363 HA ARG 46 HA ARG 46 -0.966 -3.987 -5.554 364 HB2 ARG 46 1HB ARG 46 -2.538 -3.781 -7.688 365 HB3 ARG 46 2HB ARG 46 -2.452 -2.059 -7.371 366 HG2 ARG 46 1HG ARG 46 0.169 -2.502 -7.232 367 HG3 ARG 46 2HG ARG 46 -0.217 -3.958 -8.127 368 HD2 ARG 46 1HD ARG 46 0.380 -1.905 -9.551 369 HD3 ARG 46 2HD ARG 46 -1.111 -2.719 -9.985 370 HE ARG 46 HE ARG 46 -1.424 -0.523 -8.040 371 HH11 ARG 46 2HH2 ARG 46 -1.479 -1.472 -11.428 372 HH12 ARG 46 1HH2 ARG 46 -2.435 -0.115 -11.924 373 HH21 ARG 46 2HH1 ARG 46 -2.685 1.266 -8.694 374 HH22 ARG 46 1HH1 ARG 46 -3.126 1.452 -10.359 375 H VAL 47 H VAL 47 0.202 -2.689 -4.174 376 HA VAL 47 HA VAL 47 -0.804 0.040 -3.760 377 HB VAL 47 HB VAL 47 0.513 -1.778 -1.733 378 HG11 VAL 47 1HG1 VAL 47 1.143 0.248 -0.913 379 HG12 VAL 47 2HG1 VAL 47 -0.147 1.124 -1.771 380 HG13 VAL 47 3HG1 VAL 47 -0.518 0.238 -0.273 381 HG21 VAL 47 1HG2 VAL 47 -1.701 -1.682 -0.581 382 HG22 VAL 47 2HG2 VAL 47 -2.370 -0.871 -2.017 383 HG23 VAL 47 3HG2 VAL 47 -1.745 -2.533 -2.144 384 H GLY 48 H GLY 48 0.879 1.659 -3.368 385 HA2 GLY 48 1HA GLY 48 3.573 1.318 -3.311 386 HA3 GLY 48 2HA GLY 48 3.190 1.169 -5.014 387 H LEU 49 H LEU 49 4.780 3.297 -3.920 388 HA LEU 49 HA LEU 49 3.052 5.594 -3.710 389 HB2 LEU 49 1HB LEU 49 6.003 5.095 -3.511 390 HB3 LEU 49 2HB LEU 49 5.394 6.727 -3.704 391 HG LEU 49 HG LEU 49 4.643 4.837 -1.456 392 HD11 LEU 49 1HD1 LEU 49 6.069 7.250 -0.692 393 HD12 LEU 49 2HD1 LEU 49 6.398 5.547 -0.290 394 HD13 LEU 49 3HD1 LEU 49 7.025 6.241 -1.804 395 HD21 LEU 49 1HD2 LEU 49 3.859 7.694 -2.051 396 HD22 LEU 49 2HD2 LEU 49 2.805 6.283 -1.792 397 HD23 LEU 49 3HD2 LEU 49 3.726 6.968 -0.431 398 H LYS 50 H LYS 50 2.678 7.151 -5.276 399 HA LYS 50 HA LYS 50 2.605 6.451 -7.884 400 HB2 LYS 50 1HB LYS 50 1.979 8.694 -6.370 401 HB3 LYS 50 2HB LYS 50 3.144 9.308 -7.526 402 HG2 LYS 50 1HG LYS 50 1.768 8.911 -9.347 403 HG3 LYS 50 2HG LYS 50 1.071 7.464 -8.647 404 HD2 LYS 50 1HD LYS 50 -0.343 8.801 -7.144 405 HD3 LYS 50 2HD LYS 50 0.445 10.282 -7.650 406 HE2 LYS 50 1HE LYS 50 -0.587 8.766 -9.955 407 HE3 LYS 50 2HE LYS 50 -1.857 9.131 -8.804 408 HZ1 LYS 50 1HZ LYS 50 -1.855 11.122 -9.728 409 HZ2 LYS 50 2HZ LYS 50 -0.442 11.426 -8.967 410 HZ3 LYS 50 3HZ LYS 50 -0.440 10.889 -10.509 411 H GLY 51 H GLY 51 3.983 6.320 -9.613 412 HA2 GLY 51 1HA GLY 51 5.873 6.670 -10.841 413 HA3 GLY 51 2HA GLY 51 6.546 7.653 -9.556 414 H GLN 52 H GLN 52 6.326 5.840 -7.344 415 HA GLN 52 HA GLN 52 8.593 4.249 -7.911 416 HB2 GLN 52 1HB GLN 52 7.040 5.085 -5.541 417 HB3 GLN 52 2HB GLN 52 7.654 3.449 -5.406 418 HG2 GLN 52 1HG GLN 52 9.753 5.086 -6.524 419 HG3 GLN 52 2HG GLN 52 9.103 5.930 -5.133 420 HE21 GLN 52 1HE2 GLN 52 8.909 4.766 -3.113 421 HE22 GLN 52 2HE2 GLN 52 10.053 3.532 -2.703 422 HA PRO 53 HA PRO 53 6.702 0.386 -8.531 423 HB2 PRO 53 1HB PRO 53 8.153 -1.400 -7.057 424 HB3 PRO 53 2HB PRO 53 8.701 -0.756 -8.592 425 HG2 PRO 53 1HG PRO 53 9.609 -0.070 -5.863 426 HG3 PRO 53 2HG PRO 53 10.408 0.228 -7.394 427 HD2 PRO 53 1HD PRO 53 8.991 2.143 -5.795 428 HD3 PRO 53 2HD PRO 53 9.691 2.413 -7.379 429 HA PRO 54 HA PRO 54 3.741 -0.576 -5.651 430 HB2 PRO 54 1HB PRO 54 2.807 -2.988 -6.531 431 HB3 PRO 54 2HB PRO 54 2.319 -1.458 -7.232 432 HG2 PRO 54 1HG PRO 54 4.176 -3.486 -8.318 433 HG3 PRO 54 2HG PRO 54 3.355 -2.186 -9.160 434 HD2 PRO 54 1HD PRO 54 6.112 -2.248 -8.369 435 HD3 PRO 54 2HD PRO 54 5.263 -0.904 -9.106 436 H VAL 55 H VAL 55 4.091 -0.907 -3.556 437 HA VAL 55 HA VAL 55 5.995 -2.929 -2.859 438 HB VAL 55 HB VAL 55 5.648 -0.635 -1.800 439 HG11 VAL 55 1HG1 VAL 55 3.964 -0.286 -0.210 440 HG12 VAL 55 2HG1 VAL 55 3.113 -1.084 -1.554 441 HG13 VAL 55 3HG1 VAL 55 3.566 -2.018 -0.108 442 HG21 VAL 55 1HG2 VAL 55 6.113 -3.236 -0.417 443 HG22 VAL 55 2HG2 VAL 55 7.194 -1.839 -0.630 444 HG23 VAL 55 3HG2 VAL 55 5.911 -1.791 0.603 445 H VAL 56 H VAL 56 2.898 -3.171 -3.935 446 HA VAL 56 HA VAL 56 2.547 -5.687 -2.561 447 HB VAL 56 HB VAL 56 0.330 -3.642 -2.505 448 HG11 VAL 56 1HG1 VAL 56 -0.058 -5.494 -0.478 449 HG12 VAL 56 2HG1 VAL 56 -0.866 -5.487 -2.064 450 HG13 VAL 56 3HG1 VAL 56 0.592 -6.475 -1.813 451 HG21 VAL 56 1HG2 VAL 56 2.280 -4.347 -0.286 452 HG22 VAL 56 2HG2 VAL 56 2.144 -2.782 -1.122 453 HG23 VAL 56 3HG2 VAL 56 0.811 -3.361 -0.095 454 H ASP 57 H ASP 57 1.773 -7.196 -3.976 455 HA ASP 57 HA ASP 57 -0.034 -6.520 -5.998 456 HB2 ASP 57 1HB ASP 57 1.917 -5.549 -7.115 457 HB3 ASP 57 2HB ASP 57 2.876 -6.978 -6.789 458 H GLY 58 H GLY 58 -1.217 -8.435 -5.886 459 HA2 GLY 58 1HA GLY 58 -0.221 -10.915 -6.656 460 HA3 GLY 58 2HA GLY 58 -0.137 -10.860 -4.906 461 H GLU 59 H GLU 59 -1.863 -12.602 -6.501 462 HA GLU 59 HA GLU 59 -4.457 -11.487 -6.492 463 HB2 GLU 59 1HB GLU 59 -3.785 -13.288 -8.053 464 HB3 GLU 59 2HB GLU 59 -3.519 -14.382 -6.710 465 HG2 GLU 59 1HG GLU 59 -5.976 -14.019 -6.059 466 HG3 GLU 59 2HG GLU 59 -6.177 -13.154 -7.569 467 H LEU 60 H LEU 60 -5.553 -11.010 -4.638 468 HA LEU 60 HA LEU 60 -4.899 -11.730 -2.123 469 HB2 LEU 60 1HB LEU 60 -7.580 -11.130 -3.357 470 HB3 LEU 60 2HB LEU 60 -7.377 -11.374 -1.634 471 HG LEU 60 HG LEU 60 -5.800 -9.298 -3.164 472 HD11 LEU 60 1HD1 LEU 60 -7.443 -7.631 -2.407 473 HD12 LEU 60 2HD1 LEU 60 -8.153 -8.815 -3.530 474 HD13 LEU 60 3HD1 LEU 60 -8.475 -8.941 -1.784 475 HD21 LEU 60 1HD2 LEU 60 -4.932 -8.670 -1.198 476 HD22 LEU 60 2HD2 LEU 60 -6.480 -8.856 -0.339 477 HD23 LEU 60 3HD2 LEU 60 -5.447 -10.276 -0.631 478 H TYR 61 H TYR 61 -6.098 -13.213 -0.556 479 HA TYR 61 HA TYR 61 -5.836 -15.864 -1.497 480 HB2 TYR 61 1HB TYR 61 -5.407 -15.124 0.845 481 HB3 TYR 61 2HB TYR 61 -7.028 -14.471 0.976 482 HD1 TYR 61 2HD TYR 61 -5.184 -17.690 0.513 483 HD2 TYR 61 1HD TYR 61 -8.769 -15.782 1.857 484 HE1 TYR 61 2HE TYR 61 -5.999 -19.892 1.488 485 HE2 TYR 61 1HE TYR 61 -9.573 -17.990 2.826 486 HH TYR 61 HH TYR 61 -8.772 -20.705 2.025 487 H ASN 62 H ASN 62 -8.569 -13.606 -1.116 488 HA ASN 62 HA ASN 62 -10.188 -15.494 -2.542 489 HB2 ASN 62 1HB ASN 62 -10.442 -15.726 0.116 490 HB3 ASN 62 2HB ASN 62 -11.409 -14.273 -0.044 491 HD21 ASN 62 1HD2 ASN 62 -13.298 -14.286 -1.291 492 HD22 ASN 62 2HD2 ASN 62 -14.153 -15.746 -1.667 493 H GLU 63 H GLU 63 -12.361 -14.354 -3.162 494 HA GLU 63 HA GLU 63 -11.804 -11.878 -4.222 495 HB2 GLU 63 1HB GLU 63 -14.316 -13.496 -3.805 496 HB3 GLU 63 2HB GLU 63 -14.472 -11.841 -4.358 497 HG2 GLU 63 1HG GLU 63 -12.786 -12.395 -6.205 498 HG3 GLU 63 2HG GLU 63 -12.887 -14.073 -5.709 499 H VAL 64 H VAL 64 -12.957 -9.767 -3.781 500 HA VAL 64 HA VAL 64 -13.951 -9.447 -1.087 501 HB VAL 64 HB VAL 64 -12.323 -7.608 -0.635 502 HG11 VAL 64 1HG1 VAL 64 -11.074 -10.358 -0.947 503 HG12 VAL 64 2HG1 VAL 64 -10.559 -9.072 0.171 504 HG13 VAL 64 3HG1 VAL 64 -12.139 -9.862 0.389 505 HG21 VAL 64 1HG2 VAL 64 -10.277 -7.423 -1.861 506 HG22 VAL 64 2HG2 VAL 64 -10.663 -8.855 -2.845 507 HG23 VAL 64 3HG2 VAL 64 -11.607 -7.359 -3.042 508 H LYS 65 H LYS 65 -15.233 -7.552 -0.862 509 HA LYS 65 HA LYS 65 -16.311 -6.631 -3.319 510 HB2 LYS 65 1HB LYS 65 -17.419 -6.994 -0.972 511 HB3 LYS 65 2HB LYS 65 -16.867 -5.363 -0.649 512 HG2 LYS 65 1HG LYS 65 -18.466 -4.445 -1.987 513 HG3 LYS 65 2HG LYS 65 -18.109 -5.546 -3.303 514 HD2 LYS 65 1HD LYS 65 -19.468 -7.324 -2.206 515 HD3 LYS 65 2HD LYS 65 -19.796 -6.256 -0.856 516 HE2 LYS 65 1HE LYS 65 -20.458 -5.233 -3.611 517 HE3 LYS 65 2HE LYS 65 -21.488 -6.490 -2.956 518 HZ1 LYS 65 1HZ LYS 65 -21.254 -3.769 -2.165 519 HZ2 LYS 65 2HZ LYS 65 -22.481 -4.819 -1.925 520 HZ3 LYS 65 3HZ LYS 65 -21.214 -4.795 -0.895 521 H VAL 66 H VAL 66 -15.445 -5.121 -4.625 522 HA VAL 66 HA VAL 66 -13.330 -3.459 -3.648 523 HB VAL 66 HB VAL 66 -14.619 -3.017 -6.294 524 HG11 VAL 66 1HG1 VAL 66 -12.648 -1.761 -5.878 525 HG12 VAL 66 2HG1 VAL 66 -11.787 -3.179 -5.234 526 HG13 VAL 66 3HG1 VAL 66 -12.164 -3.080 -6.971 527 HG21 VAL 66 1HG2 VAL 66 -14.818 -5.309 -6.479 528 HG22 VAL 66 2HG2 VAL 66 -13.153 -5.068 -7.062 529 HG23 VAL 66 3HG2 VAL 66 -13.441 -5.628 -5.397 530 H GLU 67 H GLU 67 -16.509 -2.723 -5.263 531 HA GLU 67 HA GLU 67 -16.576 -0.096 -4.873 532 HB2 GLU 67 1HB GLU 67 -18.840 -2.114 -4.608 533 HB3 GLU 67 2HB GLU 67 -19.124 -0.385 -4.640 534 HG2 GLU 67 1HG GLU 67 -18.690 -0.219 -6.889 535 HG3 GLU 67 2HG GLU 67 -17.335 -1.328 -6.814 536 H GLU 68 H GLU 68 -16.790 -2.589 -2.386 537 HA GLU 68 HA GLU 68 -17.486 -0.532 -0.447 538 HB2 GLU 68 1HB GLU 68 -17.687 -3.566 -0.373 539 HB3 GLU 68 2HB GLU 68 -17.847 -2.593 1.076 540 HG2 GLU 68 1HG GLU 68 -19.492 -1.567 -1.154 541 HG3 GLU 68 2HG GLU 68 -19.903 -3.216 -0.727 542 H SER 69 H SER 69 -14.910 -0.331 -1.459 543 HA SER 69 HA SER 69 -13.408 -1.096 0.888 544 HB2 SER 69 1HB SER 69 -12.886 -2.032 -1.909 545 HB3 SER 69 2HB SER 69 -11.483 -1.527 -0.989 546 HG SER 69 HG SER 69 -13.353 -3.258 0.296 547 H SER 70 H SER 70 -11.275 0.161 0.996 548 HA SER 70 HA SER 70 -10.986 2.334 -0.792 549 HB2 SER 70 1HB SER 70 -11.943 2.889 2.050 550 HB3 SER 70 2HB SER 70 -11.250 4.111 1.002 551 HG SER 70 HG SER 70 -13.810 3.018 1.002 552 H TRP 71 H TRP 71 -9.294 4.007 0.558 553 HA TRP 71 HA TRP 71 -7.523 2.513 2.257 554 HB2 TRP 71 1HB TRP 71 -5.581 2.642 0.818 555 HB3 TRP 71 2HB TRP 71 -6.829 1.636 0.110 556 HD1 TRP 71 HD TRP 71 -7.832 2.438 -2.249 557 HE1 TRP 71 1HE TRP 71 -7.244 4.297 -4.027 558 HE3 TRP 71 3HE TRP 71 -4.684 5.064 0.760 559 HZ2 TRP 71 2HZ TRP 71 -5.566 6.604 -3.978 560 HZ3 TRP 71 3HZ TRP 71 -3.612 7.107 -0.183 561 HH2 TRP 71 HH TRP 71 -4.010 7.888 -2.465 562 H LEU 72 H LEU 72 -5.708 4.000 2.999 563 HA LEU 72 HA LEU 72 -5.903 6.759 2.326 564 HB2 LEU 72 1HB LEU 72 -6.752 7.644 4.330 565 HB3 LEU 72 2HB LEU 72 -7.903 6.446 3.770 566 HG LEU 72 HG LEU 72 -6.355 4.944 5.462 567 HD11 LEU 72 1HD1 LEU 72 -5.776 7.675 6.099 568 HD12 LEU 72 2HD1 LEU 72 -6.696 6.946 7.438 569 HD13 LEU 72 3HD1 LEU 72 -5.187 6.186 6.877 570 HD21 LEU 72 1HD2 LEU 72 -8.296 4.628 6.561 571 HD22 LEU 72 2HD2 LEU 72 -8.595 6.371 6.765 572 HD23 LEU 72 3HD2 LEU 72 -8.972 5.579 5.216 573 H ILE 73 H ILE 73 -4.475 8.017 4.136 574 HA ILE 73 HA ILE 73 -2.174 6.252 4.610 575 HB ILE 73 HB ILE 73 -2.172 9.201 3.954 576 HG12 ILE 73 1HG1 ILE 73 -1.169 7.000 2.155 577 HG13 ILE 73 2HG1 ILE 73 -2.849 7.497 2.117 578 HG21 ILE 73 1HG2 ILE 73 0.171 9.125 3.981 579 HG22 ILE 73 2HG2 ILE 73 -0.325 8.247 5.448 580 HG23 ILE 73 3HG2 ILE 73 0.206 7.345 4.008 581 HD11 ILE 73 1HD1 ILE 73 -2.239 9.182 0.732 582 HD12 ILE 73 2HD1 ILE 73 -1.385 9.921 2.108 583 HD13 ILE 73 3HD1 ILE 73 -0.513 8.837 0.998 584 H GLU 74 H GLU 74 -1.684 5.917 6.707 585 HA GLU 74 HA GLU 74 -3.039 7.556 8.638 586 HB2 GLU 74 1HB GLU 74 -1.858 4.861 8.550 587 HB3 GLU 74 2HB GLU 74 -1.443 5.712 10.024 588 HG2 GLU 74 1HG GLU 74 -4.250 6.173 9.411 589 HG3 GLU 74 2HG GLU 74 -3.928 4.451 9.373 590 H ASP 75 H ASP 75 -2.067 9.048 10.017 591 HA ASP 75 HA ASP 75 -0.600 10.541 10.609 592 HB2 ASP 75 1HB ASP 75 0.808 7.918 10.880 593 HB3 ASP 75 2HB ASP 75 1.850 9.326 10.939 594 H GLY 76 H GLY 76 -0.821 9.813 7.636 595 HA2 GLY 76 1HA GLY 76 0.239 10.154 5.669 596 HA3 GLY 76 2HA GLY 76 0.839 11.594 6.468 597 H LYS 77 H LYS 77 1.513 8.018 6.664 598 HA LYS 77 HA LYS 77 4.231 8.495 5.850 599 HB2 LYS 77 1HB LYS 77 5.076 7.282 7.959 600 HB3 LYS 77 2HB LYS 77 4.698 8.989 8.072 601 HG2 LYS 77 1HG LYS 77 2.920 8.640 9.483 602 HG3 LYS 77 2HG LYS 77 2.369 7.227 8.606 603 HD2 LYS 77 1HD LYS 77 4.546 6.091 9.633 604 HD3 LYS 77 2HD LYS 77 4.457 7.402 10.791 605 HE2 LYS 77 1HE LYS 77 1.804 6.257 10.432 606 HE3 LYS 77 2HE LYS 77 2.945 4.975 10.785 607 HZ1 LYS 77 1HZ LYS 77 3.370 7.248 12.416 608 HZ2 LYS 77 2HZ LYS 77 1.853 6.667 12.583 609 HZ3 LYS 77 3HZ LYS 77 3.135 5.692 12.851 610 H VAL 78 H VAL 78 1.701 6.277 7.135 611 HA VAL 78 HA VAL 78 2.834 4.210 5.378 612 HB VAL 78 HB VAL 78 2.388 2.610 6.928 613 HG11 VAL 78 1HG1 VAL 78 2.700 5.047 8.715 614 HG12 VAL 78 2HG1 VAL 78 3.071 3.361 9.150 615 HG13 VAL 78 3HG1 VAL 78 4.024 4.187 7.894 616 HG21 VAL 78 1HG2 VAL 78 0.668 2.704 8.659 617 HG22 VAL 78 2HG2 VAL 78 0.297 4.391 8.227 618 HG23 VAL 78 3HG2 VAL 78 -0.032 3.082 7.067 619 H VAL 79 H VAL 79 1.391 3.044 4.034 620 HA VAL 79 HA VAL 79 -1.084 4.489 3.544 621 HB VAL 79 HB VAL 79 0.681 2.618 2.020 622 HG11 VAL 79 1HG1 VAL 79 -1.224 1.485 1.426 623 HG12 VAL 79 2HG1 VAL 79 -2.283 2.889 1.705 624 HG13 VAL 79 3HG1 VAL 79 -1.281 2.807 0.236 625 HG21 VAL 79 1HG2 VAL 79 0.449 4.362 0.286 626 HG22 VAL 79 2HG2 VAL 79 -0.647 5.268 1.356 627 HG23 VAL 79 3HG2 VAL 79 1.053 5.023 1.825 628 H THR 80 H THR 80 -3.092 3.698 4.021 629 HA THR 80 HA THR 80 -3.179 0.930 5.032 630 HB THR 80 HB THR 80 -5.191 2.002 6.374 631 HG1 THR 80 1HG THR 80 -3.434 4.277 5.829 632 HG21 THR 80 1HG2 THR 80 -3.698 2.801 8.158 633 HG22 THR 80 2HG2 THR 80 -2.968 1.351 7.430 634 HG23 THR 80 3HG2 THR 80 -2.353 2.966 7.005 635 H VAL 81 H VAL 81 -4.809 -0.429 4.355 636 HA VAL 81 HA VAL 81 -6.637 0.722 2.369 637 HB VAL 81 HB VAL 81 -5.111 -1.882 2.170 638 HG11 VAL 81 1HG1 VAL 81 -7.061 -0.623 0.211 639 HG12 VAL 81 2HG1 VAL 81 -6.156 -2.138 -0.020 640 HG13 VAL 81 3HG1 VAL 81 -7.399 -2.029 1.249 641 HG21 VAL 81 1HG2 VAL 81 -4.273 0.713 1.529 642 HG22 VAL 81 2HG2 VAL 81 -3.541 -0.817 0.989 643 HG23 VAL 81 3HG2 VAL 81 -4.761 -0.008 -0.024 644 H HIS 82 H HIS 82 -8.723 -0.286 2.261 645 HA HIS 82 HA HIS 82 -9.235 -2.064 4.534 646 HB2 HIS 82 1HB HIS 82 -10.042 0.278 4.884 647 HB3 HIS 82 2HB HIS 82 -11.080 0.099 3.484 648 HD1 HIS 82 1HD HIS 82 -10.665 -1.117 7.042 649 HD2 HIS 82 2HD HIS 82 -13.424 -1.392 3.895 650 HE1 HIS 82 1HE HIS 82 -12.784 -2.134 8.036 651 H LEU 83 H LEU 83 -9.565 -4.063 3.685 652 HA LEU 83 HA LEU 83 -11.004 -4.203 1.138 653 HB2 LEU 83 1HB LEU 83 -9.132 -6.102 2.544 654 HB3 LEU 83 2HB LEU 83 -10.121 -6.584 1.180 655 HG LEU 83 HG LEU 83 -7.856 -4.591 1.237 656 HD11 LEU 83 1HD1 LEU 83 -6.757 -6.447 0.656 657 HD12 LEU 83 2HD1 LEU 83 -8.255 -7.332 0.279 658 HD13 LEU 83 3HD1 LEU 83 -7.533 -6.248 -0.934 659 HD21 LEU 83 1HD2 LEU 83 -10.018 -4.897 -0.849 660 HD22 LEU 83 2HD2 LEU 83 -9.449 -3.419 -0.037 661 HD23 LEU 83 3HD2 LEU 83 -8.408 -4.238 -1.226 662 H GLU 84 H GLU 84 -12.911 -5.406 0.928 663 HA GLU 84 HA GLU 84 -14.003 -6.277 3.491 664 HB2 GLU 84 1HB GLU 84 -15.007 -4.353 1.651 665 HB3 GLU 84 2HB GLU 84 -16.046 -5.754 1.482 666 HG2 GLU 84 1HG GLU 84 -15.352 -4.981 4.292 667 HG3 GLU 84 2HG GLU 84 -16.374 -3.854 3.423 668 H LYS 85 H LYS 85 -14.355 -8.448 3.648 669 HA LYS 85 HA LYS 85 -13.903 -10.131 1.438 670 HB2 LYS 85 1HB LYS 85 -14.995 -10.625 4.219 671 HB3 LYS 85 2HB LYS 85 -14.722 -11.907 3.056 672 HG2 LYS 85 1HG LYS 85 -12.363 -11.538 3.011 673 HG3 LYS 85 2HG LYS 85 -12.506 -9.933 3.699 674 HD2 LYS 85 1HD LYS 85 -13.159 -10.852 5.878 675 HD3 LYS 85 2HD LYS 85 -13.259 -12.472 5.217 676 HE2 LYS 85 1HE LYS 85 -10.687 -11.864 4.514 677 HE3 LYS 85 2HE LYS 85 -10.837 -10.863 5.945 678 HZ1 LYS 85 1HZ LYS 85 -10.390 -12.735 7.014 679 HZ2 LYS 85 2HZ LYS 85 -11.932 -13.183 6.719 680 HZ3 LYS 85 3HZ LYS 85 -10.731 -13.698 5.740 681 H ILE 86 H ILE 86 -15.447 -11.672 0.470 682 HA ILE 86 HA ILE 86 -17.934 -10.304 -0.076 683 HB ILE 86 HB ILE 86 -16.624 -12.752 -1.258 684 HG12 ILE 86 1HG1 ILE 86 -15.551 -10.502 -1.652 685 HG13 ILE 86 2HG1 ILE 86 -16.016 -11.390 -3.090 686 HG21 ILE 86 1HG2 ILE 86 -19.367 -11.814 -1.439 687 HG22 ILE 86 2HG2 ILE 86 -18.569 -11.836 -3.030 688 HG23 ILE 86 3HG2 ILE 86 -18.626 -13.316 -2.043 689 HD11 ILE 86 1HD1 ILE 86 -16.962 -8.788 -2.136 690 HD12 ILE 86 2HD1 ILE 86 -17.153 -9.538 -3.738 691 HD13 ILE 86 3HD1 ILE 86 -18.319 -9.898 -2.442 692 H ASN 87 H ASN 87 -16.781 -13.470 1.245 693 HA ASN 87 HA ASN 87 -19.500 -14.068 1.983 694 HB2 ASN 87 1HB ASN 87 -17.328 -15.639 1.192 695 HB3 ASN 87 2HB ASN 87 -17.332 -15.880 2.928 696 HD21 ASN 87 1HD2 ASN 87 -19.888 -15.819 3.665 697 HD22 ASN 87 2HD2 ASN 87 -20.821 -17.076 2.925 698 H LYS 88 H LYS 88 -16.449 -12.848 3.271 699 HA LYS 88 HA LYS 88 -15.686 -12.507 5.346 700 HB2 LYS 88 1HB LYS 88 -17.513 -11.215 6.727 701 HB3 LYS 88 2HB LYS 88 -16.810 -10.515 5.283 702 HG2 LYS 88 1HG LYS 88 -18.738 -11.355 3.931 703 HG3 LYS 88 2HG LYS 88 -19.440 -12.069 5.370 704 HD2 LYS 88 1HD LYS 88 -18.770 -9.102 5.249 705 HD3 LYS 88 2HD LYS 88 -20.291 -9.715 4.631 706 HE2 LYS 88 1HE LYS 88 -20.302 -10.949 7.058 707 HE3 LYS 88 2HE LYS 88 -19.317 -9.559 7.468 708 HZ1 LYS 88 1HZ LYS 88 -21.872 -9.283 6.060 709 HZ2 LYS 88 2HZ LYS 88 -21.773 -9.290 7.690 710 HZ3 LYS 88 3HZ LYS 88 -21.021 -8.122 6.831 711 H MET 89 H MET 89 -15.471 -14.882 5.715 712 HA MET 89 HA MET 89 -16.682 -15.514 8.179 713 HB2 MET 89 1HB MET 89 -17.742 -17.687 7.301 714 HB3 MET 89 2HB MET 89 -18.580 -16.224 6.823 715 HG2 MET 89 1HG MET 89 -18.421 -17.070 4.700 716 HG3 MET 89 2HG MET 89 -16.775 -16.471 4.750 717 HE1 MET 89 1HE MET 89 -18.907 -20.045 5.004 718 HE2 MET 89 2HE MET 89 -18.780 -18.853 3.688 719 HE3 MET 89 3HE MET 89 -17.871 -20.381 3.596 720 H GLU 90 H GLU 90 -14.899 -16.601 5.249 721 HA GLU 90 HA GLU 90 -13.512 -18.584 6.784 722 HB2 GLU 90 1HB GLU 90 -14.065 -19.162 4.502 723 HB3 GLU 90 2HB GLU 90 -13.352 -17.687 3.880 724 HG2 GLU 90 1HG GLU 90 -11.324 -18.685 3.721 725 HG3 GLU 90 2HG GLU 90 -11.339 -19.058 5.434 726 H TRP 91 H TRP 91 -11.376 -18.462 7.526 727 HA TRP 91 HA TRP 91 -10.284 -15.786 7.626 728 HB2 TRP 91 1HB TRP 91 -10.173 -16.765 9.696 729 HB3 TRP 91 2HB TRP 91 -9.828 -18.362 9.061 730 HD1 TRP 91 HD TRP 91 -7.189 -18.795 8.278 731 HE1 TRP 91 1HE TRP 91 -4.890 -17.782 9.088 732 HE3 TRP 91 3HE TRP 91 -9.187 -14.694 10.524 733 HZ2 TRP 91 2HZ TRP 91 -4.182 -15.432 10.544 734 HZ3 TRP 91 3HZ TRP 91 -7.623 -13.091 11.617 735 HH2 TRP 91 HH TRP 91 -5.199 -13.407 11.650 736 H TRP 92 H TRP 92 -8.484 -15.096 6.475 737 HA TRP 92 HA TRP 92 -7.644 -16.782 4.307 738 HB2 TRP 92 1HB TRP 92 -6.824 -13.994 5.140 739 HB3 TRP 92 2HB TRP 92 -6.276 -14.807 3.687 740 HD1 TRP 92 HD TRP 92 -9.938 -15.404 4.475 741 HE1 TRP 92 1HE TRP 92 -11.535 -14.080 2.844 742 HE3 TRP 92 3HE TRP 92 -6.294 -12.536 2.390 743 HZ2 TRP 92 2HZ TRP 92 -11.105 -12.028 0.909 744 HZ3 TRP 92 3HZ TRP 92 -6.968 -10.896 0.636 745 HH2 TRP 92 HH TRP 92 -9.279 -10.618 -0.109 746 H ASN 93 H ASN 93 -5.376 -17.397 3.939 747 HA ASN 93 HA ASN 93 -4.053 -17.845 6.484 748 HB2 ASN 93 1HB ASN 93 -4.398 -19.396 4.006 749 HB3 ASN 93 2HB ASN 93 -2.703 -19.283 4.434 750 HD21 ASN 93 1HD2 ASN 93 -4.700 -21.496 4.497 751 HD22 ASN 93 2HD2 ASN 93 -4.633 -22.165 6.094 752 H ARG 94 H ARG 94 -3.980 -16.012 3.534 753 HA ARG 94 HA ARG 94 -1.557 -14.789 4.315 754 HB2 ARG 94 1HB ARG 94 -0.802 -15.253 1.700 755 HB3 ARG 94 2HB ARG 94 -0.193 -16.156 3.072 756 HG2 ARG 94 1HG ARG 94 -0.965 -17.778 1.455 757 HG3 ARG 94 2HG ARG 94 -2.116 -17.792 2.776 758 HD2 ARG 94 1HD ARG 94 -3.798 -16.753 1.517 759 HD3 ARG 94 2HD ARG 94 -2.660 -15.899 0.494 760 HE ARG 94 HE ARG 94 -2.737 -17.696 -0.985 761 HH11 ARG 94 2HH2 ARG 94 -3.630 -18.851 2.217 762 HH12 ARG 94 1HH2 ARG 94 -3.979 -20.460 1.679 763 HH21 ARG 94 2HH1 ARG 94 -3.198 -19.819 -1.695 764 HH22 ARG 94 1HH1 ARG 94 -3.732 -21.014 -0.561 765 H LEU 95 H LEU 95 -1.638 -12.628 3.666 766 HA LEU 95 HA LEU 95 -3.868 -11.467 2.732 767 HB2 LEU 95 1HB LEU 95 -1.778 -10.420 3.674 768 HB3 LEU 95 2HB LEU 95 -1.088 -10.503 2.065 769 HG LEU 95 HG LEU 95 -2.007 -8.276 2.655 770 HD11 LEU 95 1HD1 LEU 95 -3.711 -9.265 0.404 771 HD12 LEU 95 2HD1 LEU 95 -2.694 -7.808 0.522 772 HD13 LEU 95 3HD1 LEU 95 -1.941 -9.401 0.269 773 HD21 LEU 95 1HD2 LEU 95 -4.002 -9.429 3.916 774 HD22 LEU 95 2HD2 LEU 95 -4.211 -7.844 3.134 775 HD23 LEU 95 3HD2 LEU 95 -4.796 -9.319 2.327 776 H VAL 96 H VAL 96 -1.027 -12.356 0.643 777 HA VAL 96 HA VAL 96 -2.950 -12.568 -1.569 778 HB VAL 96 HB VAL 96 -0.941 -11.888 -2.993 779 HG11 VAL 96 1HG1 VAL 96 -2.926 -10.360 -1.607 780 HG12 VAL 96 2HG1 VAL 96 -1.435 -9.393 -1.705 781 HG13 VAL 96 3HG1 VAL 96 -2.173 -10.042 -3.188 782 HG21 VAL 96 1HG2 VAL 96 0.614 -12.136 -0.917 783 HG22 VAL 96 2HG2 VAL 96 0.887 -10.792 -2.052 784 HG23 VAL 96 3HG2 VAL 96 0.049 -10.498 -0.509 785 H THR 97 H THR 97 -2.600 -14.297 -3.050 786 HA THR 97 HA THR 97 -1.395 -16.583 -1.854 787 HB THR 97 HB THR 97 -2.308 -17.702 -3.824 788 HG1 THR 97 1HG THR 97 -2.734 -14.991 -4.836 789 HG21 THR 97 1HG2 THR 97 -4.428 -15.793 -4.071 790 HG22 THR 97 2HG2 THR 97 -4.431 -17.281 -3.094 791 HG23 THR 97 3HG2 THR 97 -3.903 -15.742 -2.371 792 H SER 98 H SER 98 -0.405 -14.194 -4.313 793 HA SER 98 HA SER 98 2.161 -15.579 -4.335 794 HB2 SER 98 1HB SER 98 0.510 -14.505 -6.607 795 HB3 SER 98 2HB SER 98 2.250 -14.330 -6.728 796 HG SER 98 HG SER 98 1.366 -16.884 -5.908 797 H ASP 99 H ASP 99 3.545 -14.303 -3.154 798 HA ASP 99 HA ASP 99 3.039 -11.501 -2.994 799 HB2 ASP 99 1HB ASP 99 5.303 -11.677 -1.639 800 HB3 ASP 99 2HB ASP 99 3.824 -12.319 -0.952 801 HA PRO 100 HA PRO 100 6.098 -10.358 -5.921 802 HB2 PRO 100 1HB PRO 100 7.085 -8.009 -4.934 803 HB3 PRO 100 2HB PRO 100 5.558 -8.124 -5.785 804 HG2 PRO 100 1HG PRO 100 6.044 -7.794 -2.888 805 HG3 PRO 100 2HG PRO 100 4.577 -7.490 -3.797 806 HD2 PRO 100 1HD PRO 100 5.116 -9.750 -2.116 807 HD3 PRO 100 2HD PRO 100 3.698 -9.502 -3.115 808 H GLU 101 H GLU 101 8.483 -8.681 -5.183 809 HA GLU 101 HA GLU 101 9.983 -10.841 -3.933 810 HB2 GLU 101 1HB GLU 101 10.634 -9.344 -6.494 811 HB3 GLU 101 2HB GLU 101 11.895 -10.115 -5.552 812 HG2 GLU 101 1HG GLU 101 9.920 -12.101 -5.707 813 HG3 GLU 101 2HG GLU 101 9.834 -11.336 -7.281 814 H ILE 102 H ILE 102 11.001 -7.664 -5.334 815 HA ILE 102 HA ILE 102 12.333 -7.015 -2.890 816 HB ILE 102 HB ILE 102 11.896 -5.263 -5.303 817 HG12 ILE 102 1HG1 ILE 102 14.452 -6.537 -5.357 818 HG13 ILE 102 2HG1 ILE 102 13.237 -7.789 -5.194 819 HG21 ILE 102 1HG2 ILE 102 13.944 -5.299 -3.077 820 HG22 ILE 102 2HG2 ILE 102 14.128 -4.356 -4.576 821 HG23 ILE 102 3HG2 ILE 102 12.771 -4.020 -3.474 822 HD11 ILE 102 1HD1 ILE 102 13.201 -7.547 -7.498 823 HD12 ILE 102 2HD1 ILE 102 11.989 -6.314 -7.075 824 HD13 ILE 102 3HD1 ILE 102 13.664 -5.829 -7.430 825 H ASN 103 H ASN 103 11.963 -4.912 -1.734 826 HA ASN 103 HA ASN 103 9.091 -4.518 -1.534 827 HB2 ASN 103 1HB ASN 103 9.812 -3.382 0.708 828 HB3 ASN 103 2HB ASN 103 9.944 -5.127 0.612 829 HD21 ASN 103 1HD2 ASN 103 11.920 -6.120 0.516 830 HD22 ASN 103 2HD2 ASN 103 13.423 -5.317 0.826 831 H THR 104 H THR 104 12.316 -2.869 -1.659 832 HA THR 104 HA THR 104 11.342 -0.731 -3.213 833 HB THR 104 HB THR 104 10.380 -0.291 -0.812 834 HG1 THR 104 1HG THR 104 10.382 1.648 -1.874 835 HG21 THR 104 1HG2 THR 104 11.825 0.526 0.844 836 HG22 THR 104 2HG2 THR 104 12.877 -0.716 0.123 837 HG23 THR 104 3HG2 THR 104 13.072 0.992 -0.338 838 H LYS 105 H LYS 105 13.203 1.242 -2.680 839 HA LYS 105 HA LYS 105 15.772 -0.101 -2.530 840 HB2 LYS 105 1HB LYS 105 14.550 0.874 -5.033 841 HB3 LYS 105 2HB LYS 105 16.174 1.464 -4.746 842 HG2 LYS 105 1HG LYS 105 15.573 -1.475 -4.323 843 HG3 LYS 105 2HG LYS 105 15.790 -0.873 -5.954 844 HD2 LYS 105 1HD LYS 105 17.886 0.173 -4.201 845 HD3 LYS 105 2HD LYS 105 17.825 -1.576 -4.099 846 HE2 LYS 105 1HE LYS 105 19.166 -1.441 -5.970 847 HE3 LYS 105 2HE LYS 105 17.625 -1.326 -6.796 848 HZ1 LYS 105 1HZ LYS 105 18.056 1.203 -6.132 849 HZ2 LYS 105 2HZ LYS 105 19.595 0.703 -6.352 850 HZ3 LYS 105 3HZ LYS 105 18.507 0.553 -7.561 851 H LYS 106 H LYS 106 17.471 1.929 -3.137 852 HA LYS 106 HA LYS 106 16.889 3.774 -1.000 853 HB2 LYS 106 1HB LYS 106 19.140 2.534 -1.619 854 HB3 LYS 106 2HB LYS 106 19.361 3.898 -2.696 855 HG2 LYS 106 1HG LYS 106 18.502 4.487 0.132 856 HG3 LYS 106 2HG LYS 106 20.156 3.965 -0.117 857 HD2 LYS 106 1HD LYS 106 20.132 5.797 -2.056 858 HD3 LYS 106 2HD LYS 106 18.778 6.451 -1.156 859 HE2 LYS 106 1HE LYS 106 20.194 7.392 0.345 860 HE3 LYS 106 2HE LYS 106 20.854 5.818 0.744 861 HZ1 LYS 106 1HZ LYS 106 22.610 7.073 -0.080 862 HZ2 LYS 106 2HZ LYS 106 22.222 6.084 -1.320 863 HZ3 LYS 106 3HZ LYS 106 21.762 7.651 -1.350 864 H ILE 107 H ILE 107 15.004 4.786 -2.057 865 HA ILE 107 HA ILE 107 14.812 5.944 -4.437 866 HB ILE 107 HB ILE 107 13.735 7.916 -2.987 867 HG12 ILE 107 1HG1 ILE 107 13.191 5.851 -0.984 868 HG13 ILE 107 2HG1 ILE 107 14.866 6.367 -0.978 869 HG21 ILE 107 1HG2 ILE 107 11.989 5.705 -2.628 870 HG22 ILE 107 2HG2 ILE 107 11.961 6.951 -3.898 871 HG23 ILE 107 3HG2 ILE 107 12.881 5.448 -4.147 872 HD11 ILE 107 1HD1 ILE 107 13.692 8.806 -1.185 873 HD12 ILE 107 2HD1 ILE 107 12.391 7.929 -0.343 874 HD13 ILE 107 3HD1 ILE 107 14.014 8.025 0.382 875 H ASN 108 H ASN 108 15.790 8.159 -1.761 876 HA ASN 108 HA ASN 108 18.260 8.789 -2.815 877 HB2 ASN 108 1HB ASN 108 16.167 9.915 -4.361 878 HB3 ASN 108 2HB ASN 108 16.691 11.234 -3.333 879 HD21 ASN 108 1HD2 ASN 108 18.276 8.494 -4.977 880 HD22 ASN 108 2HD2 ASN 108 19.510 9.405 -5.780 881 HA PRO 109 HA PRO 109 18.120 10.959 0.993 882 HB2 PRO 109 1HB PRO 109 20.254 12.656 0.797 883 HB3 PRO 109 2HB PRO 109 20.414 10.957 1.194 884 HG2 PRO 109 1HG PRO 109 21.018 12.329 -1.353 885 HG3 PRO 109 2HG PRO 109 21.556 10.756 -0.799 886 HD2 PRO 109 1HD PRO 109 19.497 11.285 -2.724 887 HD3 PRO 109 2HD PRO 109 19.956 9.720 -2.084 888 H GLU 110 H GLU 110 18.742 13.255 -1.622 889 HA GLU 110 HA GLU 110 16.489 14.753 -0.598 890 HB2 GLU 110 1HB GLU 110 19.289 15.879 -0.998 891 HB3 GLU 110 2HB GLU 110 17.868 16.901 -0.936 892 HG2 GLU 110 1HG GLU 110 17.409 15.451 1.310 893 HG3 GLU 110 2HG GLU 110 19.154 15.297 1.259 894 H ASN 111 H ASN 111 15.248 14.217 -2.427 895 HA ASN 111 HA ASN 111 16.446 14.939 -4.977 896 HB2 ASN 111 1HB ASN 111 14.539 13.583 -5.955 897 HB3 ASN 111 2HB ASN 111 15.598 12.640 -4.925 898 HD21 ASN 111 1HD2 ASN 111 14.957 12.125 -2.796 899 HD22 ASN 111 2HD2 ASN 111 13.289 12.063 -2.332 900 H SER 112 H SER 112 13.693 15.399 -2.719 901 HA SER 112 HA SER 112 12.058 16.825 -2.618 902 HB2 SER 112 1HB SER 112 14.230 18.429 -3.936 903 HB3 SER 112 2HB SER 112 12.631 19.145 -3.884 904 HG SER 112 HG SER 112 14.202 18.223 -1.633 905 H LYS 113 H LYS 113 10.416 18.241 -3.980 906 HA LYS 113 HA LYS 113 10.356 17.449 -6.771 907 HB2 LYS 113 1HB LYS 113 8.467 16.432 -4.681 908 HB3 LYS 113 2HB LYS 113 7.825 16.823 -6.264 909 HG2 LYS 113 1HG LYS 113 10.315 15.351 -6.580 910 HG3 LYS 113 2HG LYS 113 9.262 14.472 -5.489 911 HD2 LYS 113 1HD LYS 113 7.490 15.269 -7.485 912 HD3 LYS 113 2HD LYS 113 8.960 14.986 -8.396 913 HE2 LYS 113 1HE LYS 113 9.154 12.709 -7.341 914 HE3 LYS 113 2HE LYS 113 7.657 12.995 -6.476 915 HZ1 LYS 113 1HZ LYS 113 6.505 12.527 -8.285 916 HZ2 LYS 113 2HZ LYS 113 7.390 13.507 -9.246 917 HZ3 LYS 113 3HZ LYS 113 7.883 11.975 -8.967 918 H LEU 114 H LEU 114 8.998 18.824 -8.061 919 HA LEU 114 HA LEU 114 7.928 21.130 -6.604 920 HB2 LEU 114 1HB LEU 114 8.797 22.439 -8.684 921 HB3 LEU 114 2HB LEU 114 9.830 22.139 -7.301 922 HG LEU 114 HG LEU 114 9.859 20.276 -9.670 923 HD11 LEU 114 1HD1 LEU 114 10.233 22.339 -10.746 924 HD12 LEU 114 2HD1 LEU 114 11.249 22.946 -9.417 925 HD13 LEU 114 3HD1 LEU 114 11.848 21.643 -10.472 926 HD21 LEU 114 1HD2 LEU 114 11.662 19.338 -8.718 927 HD22 LEU 114 2HD2 LEU 114 12.327 20.900 -8.183 928 HD23 LEU 114 3HD2 LEU 114 11.054 20.100 -7.229 929 H SER 115 H SER 115 5.797 20.376 -6.819 930 HA SER 115 HA SER 115 4.862 20.493 -9.566 931 HB2 SER 115 1HB SER 115 4.870 18.147 -7.866 932 HB3 SER 115 2HB SER 115 3.209 18.623 -8.158 933 HG SER 115 HG SER 115 4.295 17.135 -9.777 934 H ASP 116 H ASP 116 4.297 22.727 -8.860 935 HA ASP 116 HA ASP 116 1.859 22.664 -7.267 936 HB2 ASP 116 1HB ASP 116 3.775 25.025 -7.325 937 HB3 ASP 116 2HB ASP 116 2.455 24.746 -6.208 938 H LEU 117 H LEU 117 0.615 22.654 -9.283 939 HA LEU 117 HA LEU 117 1.154 24.693 -11.238 940 HB2 LEU 117 1HB LEU 117 -0.447 22.249 -11.021 941 HB3 LEU 117 2HB LEU 117 -1.256 23.539 -11.889 942 HG LEU 117 HG LEU 117 1.569 22.954 -12.650 943 HD11 LEU 117 1HD1 LEU 117 0.239 20.740 -12.305 944 HD12 LEU 117 2HD1 LEU 117 -0.588 21.215 -13.808 945 HD13 LEU 117 3HD1 LEU 117 1.177 20.988 -13.797 946 HD21 LEU 117 1HD2 LEU 117 0.759 23.504 -14.876 947 HD22 LEU 117 2HD2 LEU 117 -0.913 23.588 -14.271 948 HD23 LEU 117 3HD2 LEU 117 0.296 24.769 -13.713 949 H ASP 118 H ASP 118 -1.143 25.763 -12.062 950 HA ASP 118 HA ASP 118 -1.610 27.809 -10.421 951 HB2 ASP 118 1HB ASP 118 -3.691 26.451 -12.199 952 HB3 ASP 118 2HB ASP 118 -3.787 28.104 -11.625 953 H SER 119 H SER 119 -2.511 27.959 -8.360 954 HA SER 119 HA SER 119 -4.564 25.996 -7.706 955 HB2 SER 119 1HB SER 119 -3.652 25.641 -5.536 956 HB3 SER 119 2HB SER 119 -2.277 25.563 -6.620 957 HG SER 119 HG SER 119 -1.822 27.822 -6.085 958 H GLU 120 H GLU 120 -4.469 27.420 -4.901 959 HA GLU 120 HA GLU 120 -5.921 29.792 -5.789 960 HB2 GLU 120 1HB GLU 120 -6.991 27.616 -4.450 961 HB3 GLU 120 2HB GLU 120 -6.623 28.698 -3.121 962 HG2 GLU 120 1HG GLU 120 -7.760 30.513 -4.765 963 HG3 GLU 120 2HG GLU 120 -8.542 29.084 -5.412 964 H THR 121 H THR 121 -6.277 30.528 -2.852 965 HA THR 121 HA THR 121 -3.501 31.387 -2.353 966 HB THR 121 HB THR 121 -5.107 33.182 -3.185 967 HG1 THR 121 1HG THR 121 -3.379 33.814 -1.800 968 HG21 THR 121 1HG2 THR 121 -7.231 32.630 -2.183 969 HG22 THR 121 2HG2 THR 121 -6.493 32.396 -0.580 970 HG23 THR 121 3HG2 THR 121 -6.638 34.033 -1.263 971 H ARG 122 H ARG 122 -2.941 31.780 -0.078 972 HA ARG 122 HA ARG 122 -4.692 30.654 1.851 973 HB2 ARG 122 1HB ARG 122 -3.145 28.860 2.601 974 HB3 ARG 122 2HB ARG 122 -3.649 28.585 0.945 975 HG2 ARG 122 1HG ARG 122 -1.364 28.284 0.680 976 HG3 ARG 122 2HG ARG 122 -1.446 30.009 0.383 977 HD2 ARG 122 1HD ARG 122 -1.243 29.517 3.254 978 HD3 ARG 122 2HD ARG 122 0.044 28.672 2.417 979 HE ARG 122 HE ARG 122 -0.103 31.496 2.814 980 HH11 ARG 122 2HH2 ARG 122 0.683 29.185 0.279 981 HH12 ARG 122 1HH2 ARG 122 1.770 30.257 -0.538 982 HH21 ARG 122 2HH1 ARG 122 1.332 32.911 1.736 983 HH22 ARG 122 1HH1 ARG 122 2.142 32.390 0.296 984 H SER 123 H SER 123 -3.462 30.634 4.114 985 HA SER 123 HA SER 123 -1.277 32.512 4.126 986 HB2 SER 123 1HB SER 123 -2.309 34.142 5.489 987 HB3 SER 123 2HB SER 123 -3.540 33.764 4.300 988 HG SER 123 HG SER 123 -3.384 32.906 7.048 989 H MET 124 H MET 124 -0.501 32.787 6.562 990 HA MET 124 HA MET 124 -1.181 30.473 8.140 991 HB2 MET 124 1HB MET 124 1.193 29.778 8.350 992 HB3 MET 124 2HB MET 124 0.736 29.769 6.659 993 HG2 MET 124 1HG MET 124 2.376 31.262 6.178 994 HG3 MET 124 2HG MET 124 1.677 32.424 7.289 995 HE1 MET 124 1HE MET 124 5.173 32.692 8.664 996 HE2 MET 124 2HE MET 124 4.165 33.122 7.261 997 HE3 MET 124 3HE MET 124 3.577 33.442 8.910 998 H VAL 125 H VAL 125 0.738 30.646 10.141 999 HA VAL 125 HA VAL 125 1.288 33.319 10.887 1000 HB VAL 125 HB VAL 125 -1.110 33.394 11.234 1001 HG11 VAL 125 1HG1 VAL 125 -2.368 31.796 12.230 1002 HG12 VAL 125 2HG1 VAL 125 -0.996 30.743 11.809 1003 HG13 VAL 125 3HG1 VAL 125 -1.126 31.423 13.449 1004 HG21 VAL 125 1HG2 VAL 125 0.526 33.277 13.787 1005 HG22 VAL 125 2HG2 VAL 125 0.201 34.699 12.767 1006 HG23 VAL 125 3HG2 VAL 125 -1.122 33.943 13.687 1007 H SER 126 H SER 126 3.319 32.846 11.585 1008 HA SER 126 HA SER 126 3.470 30.826 13.670 1009 HB2 SER 126 1HB SER 126 5.695 30.104 12.730 1010 HB3 SER 126 2HB SER 126 4.330 29.708 11.704 1011 HG SER 126 HG SER 126 5.936 32.092 11.363 1012 H GLY 127 H GLY 127 4.515 31.592 15.489 1013 HA2 GLY 127 1HA GLY 127 6.265 33.951 15.149 1014 HA3 GLY 127 2HA GLY 127 5.031 33.879 16.391 1015 HA PRO 128 HA PRO 128 8.829 31.216 17.445 1016 HB2 PRO 128 1HB PRO 128 11.139 32.659 17.219 1017 HB3 PRO 128 2HB PRO 128 10.609 31.503 16.013 1018 HG2 PRO 128 1HG PRO 128 10.536 34.456 15.908 1019 HG3 PRO 128 2HG PRO 128 10.419 33.308 14.589 1020 HD2 PRO 128 1HD PRO 128 8.264 34.782 15.778 1021 HD3 PRO 128 2HD PRO 128 8.133 33.549 14.540 1022 H SER 129 H SER 129 10.564 31.483 19.289 1023 HA SER 129 HA SER 129 9.582 33.656 20.954 1024 HB2 SER 129 1HB SER 129 9.687 32.039 22.923 1025 HB3 SER 129 2HB SER 129 8.375 31.765 21.794 1026 HG SER 129 HG SER 129 9.503 30.012 20.872 1027 H SER 130 H SER 130 11.123 34.044 22.884 1028 HA SER 130 HA SER 130 13.805 33.128 22.258 1029 HB2 SER 130 1HB SER 130 13.029 36.034 22.777 1030 HB3 SER 130 2HB SER 130 14.676 35.448 22.657 1031 HG SER 130 HG SER 130 12.850 36.029 20.639 1032 H GLY 131 H GLY 131 15.348 33.901 24.194 1033 HA2 GLY 131 1HA GLY 131 14.171 34.409 26.721 1034 HA3 GLY 131 2HA GLY 131 14.466 32.692 26.531 Start of MODEL 18 1 H1 GLY 1 H GLY 1 19.228 9.212 10.324 2 HA2 GLY 1 1HA GLY 1 17.141 7.801 11.170 3 HA3 GLY 1 2HA GLY 1 16.598 8.224 9.558 4 H SER 2 H SER 2 17.026 5.532 10.287 5 HA SER 2 HA SER 2 18.794 4.782 8.248 6 HB2 SER 2 1HB SER 2 20.103 5.233 10.667 7 HB3 SER 2 2HB SER 2 19.800 3.507 10.722 8 HG SER 2 HG SER 2 21.704 4.822 9.321 9 H SER 3 H SER 3 18.872 2.299 8.073 10 HA SER 3 HA SER 3 17.362 0.704 9.729 11 HB2 SER 3 1HB SER 3 15.640 2.332 8.333 12 HB3 SER 3 2HB SER 3 15.744 0.967 7.239 13 HG SER 3 HG SER 3 14.024 0.750 8.838 14 H GLY 4 H GLY 4 16.933 -1.515 8.632 15 HA2 GLY 4 1HA GLY 4 19.049 -1.956 6.622 16 HA3 GLY 4 2HA GLY 4 18.467 -3.128 7.788 17 H SER 5 H SER 5 18.074 -4.633 6.005 18 HA SER 5 HA SER 5 15.454 -4.191 4.910 19 HB2 SER 5 1HB SER 5 16.870 -3.286 3.133 20 HB3 SER 5 2HB SER 5 17.905 -4.699 3.171 21 HG SER 5 HG SER 5 16.418 -4.868 1.421 22 H SER 6 H SER 6 14.608 -5.955 6.050 23 HA SER 6 HA SER 6 14.997 -8.466 5.014 24 HB2 SER 6 1HB SER 6 16.761 -7.793 7.346 25 HB3 SER 6 2HB SER 6 15.983 -9.363 7.376 26 HG SER 6 HG SER 6 18.211 -8.904 6.180 27 H GLY 7 H GLY 7 13.491 -10.004 5.978 28 HA2 GLY 7 1HA GLY 7 12.001 -10.637 7.694 29 HA3 GLY 7 2HA GLY 7 11.903 -8.972 8.232 30 HA PRO 8 HA PRO 8 8.214 -9.372 5.768 31 HB2 PRO 8 1HB PRO 8 6.673 -7.660 7.239 32 HB3 PRO 8 2HB PRO 8 6.769 -9.380 7.561 33 HG2 PRO 8 1HG PRO 8 8.004 -7.145 9.050 34 HG3 PRO 8 2HG PRO 8 7.730 -8.794 9.575 35 HD2 PRO 8 1HD PRO 8 10.224 -7.651 8.737 36 HD3 PRO 8 2HD PRO 8 9.925 -9.328 9.150 37 H ASN 9 H ASN 9 6.495 -7.238 5.332 38 HA ASN 9 HA ASN 9 8.328 -5.206 4.376 39 HB2 ASN 9 1HB ASN 9 6.103 -6.421 2.657 40 HB3 ASN 9 2HB ASN 9 7.227 -5.173 2.157 41 HD21 ASN 9 1HD2 ASN 9 6.613 -8.014 1.300 42 HD22 ASN 9 2HD2 ASN 9 8.151 -8.806 1.196 43 H TYR 10 H TYR 10 4.915 -6.379 4.775 44 HA TYR 10 HA TYR 10 4.200 -3.784 5.873 45 HB2 TYR 10 1HB TYR 10 2.117 -3.939 4.310 46 HB3 TYR 10 2HB TYR 10 3.622 -3.534 3.508 47 HD1 TYR 10 2HD TYR 10 1.111 -6.182 4.047 48 HD2 TYR 10 1HD TYR 10 4.684 -5.082 1.966 49 HE1 TYR 10 2HE TYR 10 0.813 -8.158 2.475 50 HE2 TYR 10 1HE TYR 10 4.374 -7.062 0.401 51 HH TYR 10 HH TYR 10 3.050 -8.663 -0.230 52 H ARG 11 H ARG 11 2.035 -3.849 6.960 53 HA ARG 11 HA ARG 11 1.653 -6.524 8.005 54 HB2 ARG 11 1HB ARG 11 0.579 -5.420 9.934 55 HB3 ARG 11 2HB ARG 11 2.139 -4.682 9.632 56 HG2 ARG 11 1HG ARG 11 0.899 -2.910 8.231 57 HG3 ARG 11 2HG ARG 11 -0.596 -3.581 8.852 58 HD2 ARG 11 1HD ARG 11 1.256 -3.140 11.060 59 HD3 ARG 11 2HD ARG 11 1.111 -1.669 10.119 60 HE ARG 11 HE ARG 11 -1.160 -1.492 10.742 61 HH11 ARG 11 2HH2 ARG 11 0.123 -4.626 11.699 62 HH12 ARG 11 1HH2 ARG 11 -1.247 -5.030 12.679 63 HH21 ARG 11 2HH1 ARG 11 -2.967 -2.025 12.035 64 HH22 ARG 11 1HH1 ARG 11 -3.016 -3.541 12.871 65 H TRP 12 H TRP 12 -0.577 -7.350 8.307 66 HA TRP 12 HA TRP 12 -2.745 -5.898 7.125 67 HB2 TRP 12 1HB TRP 12 -3.207 -7.255 5.280 68 HB3 TRP 12 2HB TRP 12 -1.509 -6.841 5.148 69 HD1 TRP 12 HD TRP 12 0.226 -8.875 5.171 70 HE1 TRP 12 1HE TRP 12 0.080 -11.510 5.177 71 HE3 TRP 12 3HE TRP 12 -4.731 -9.122 6.276 72 HZ2 TRP 12 2HZ TRP 12 -2.044 -13.360 5.633 73 HZ3 TRP 12 3HZ TRP 12 -5.764 -11.381 6.484 74 HH2 TRP 12 HH TRP 12 -4.504 -13.454 6.182 75 H THR 13 H THR 13 -4.606 -6.531 8.188 76 HA THR 13 HA THR 13 -4.542 -9.142 9.538 77 HB THR 13 HB THR 13 -5.377 -8.082 11.575 78 HG1 THR 13 1HG THR 13 -6.464 -6.189 11.222 79 HG21 THR 13 1HG2 THR 13 -3.487 -6.878 12.257 80 HG22 THR 13 2HG2 THR 13 -2.820 -7.653 10.800 81 HG23 THR 13 3HG2 THR 13 -3.394 -5.970 10.730 82 H GLN 14 H GLN 14 -7.089 -8.962 10.722 83 HA GLN 14 HA GLN 14 -9.042 -8.045 9.018 84 HB2 GLN 14 1HB GLN 14 -9.747 -9.982 7.774 85 HB3 GLN 14 2HB GLN 14 -8.036 -9.772 7.458 86 HG2 GLN 14 1HG GLN 14 -7.818 -11.405 9.599 87 HG3 GLN 14 2HG GLN 14 -9.423 -11.891 9.090 88 HE21 GLN 14 1HE2 GLN 14 -6.435 -12.865 8.951 89 HE22 GLN 14 2HE2 GLN 14 -6.311 -13.566 7.372 90 H THR 15 H THR 15 -11.252 -9.231 9.529 91 HA THR 15 HA THR 15 -11.156 -10.523 12.150 92 HB THR 15 HB THR 15 -11.383 -7.975 12.393 93 HG1 THR 15 1HG THR 15 -12.262 -9.672 13.877 94 HG21 THR 15 1HG2 THR 15 -13.178 -6.839 11.493 95 HG22 THR 15 2HG2 THR 15 -13.213 -8.172 10.313 96 HG23 THR 15 3HG2 THR 15 -14.279 -8.216 11.738 97 H LEU 16 H LEU 16 -11.488 -12.172 10.216 98 HA LEU 16 HA LEU 16 -12.871 -13.430 8.993 99 HB2 LEU 16 1HB LEU 16 -14.342 -13.129 11.607 100 HB3 LEU 16 2HB LEU 16 -14.839 -14.257 10.362 101 HG LEU 16 HG LEU 16 -13.183 -14.865 12.417 102 HD11 LEU 16 1HD1 LEU 16 -14.329 -16.429 10.897 103 HD12 LEU 16 2HD1 LEU 16 -13.073 -16.138 9.669 104 HD13 LEU 16 3HD1 LEU 16 -12.643 -16.903 11.218 105 HD21 LEU 16 1HD2 LEU 16 -11.377 -13.427 11.701 106 HD22 LEU 16 2HD2 LEU 16 -10.893 -15.130 11.518 107 HD23 LEU 16 3HD2 LEU 16 -11.368 -14.181 10.088 108 H ALA 17 H ALA 17 -13.121 -10.518 8.528 109 HA ALA 17 HA ALA 17 -15.495 -10.621 6.983 110 HB1 ALA 17 1HB ALA 17 -15.986 -8.296 8.532 111 HB2 ALA 17 2HB ALA 17 -16.968 -9.778 8.455 112 HB3 ALA 17 3HB ALA 17 -15.697 -9.616 9.690 113 H GLU 18 H GLU 18 -14.071 -7.745 8.618 114 HA GLU 18 HA GLU 18 -13.397 -6.720 6.039 115 HB2 GLU 18 1HB GLU 18 -12.872 -4.651 7.234 116 HB3 GLU 18 2HB GLU 18 -14.403 -5.282 7.807 117 HG2 GLU 18 1HG GLU 18 -13.595 -5.324 9.923 118 HG3 GLU 18 2HG GLU 18 -12.376 -6.484 9.435 119 H LEU 19 H LEU 19 -11.201 -5.857 5.516 120 HA LEU 19 HA LEU 19 -9.114 -7.385 6.911 121 HB2 LEU 19 1HB LEU 19 -9.886 -7.335 4.098 122 HB3 LEU 19 2HB LEU 19 -8.192 -6.952 4.336 123 HG LEU 19 HG LEU 19 -9.215 -9.319 5.815 124 HD11 LEU 19 1HD1 LEU 19 -9.087 -10.787 3.862 125 HD12 LEU 19 2HD1 LEU 19 -10.379 -9.576 3.681 126 HD13 LEU 19 3HD1 LEU 19 -8.842 -9.375 2.807 127 HD21 LEU 19 1HD2 LEU 19 -7.058 -10.018 5.742 128 HD22 LEU 19 2HD2 LEU 19 -6.779 -9.370 4.108 129 HD23 LEU 19 3HD2 LEU 19 -6.771 -8.276 5.512 130 H ASP 20 H ASP 20 -7.455 -6.197 7.723 131 HA ASP 20 HA ASP 20 -7.464 -3.391 6.956 132 HB2 ASP 20 1HB ASP 20 -7.032 -4.872 9.483 133 HB3 ASP 20 2HB ASP 20 -5.797 -3.664 9.191 134 H LEU 21 H LEU 21 -5.393 -2.387 6.416 135 HA LEU 21 HA LEU 21 -3.039 -4.061 6.426 136 HB2 LEU 21 1HB LEU 21 -3.665 -4.830 4.376 137 HB3 LEU 21 2HB LEU 21 -4.559 -3.380 3.964 138 HG LEU 21 HG LEU 21 -2.283 -2.213 3.765 139 HD11 LEU 21 1HD1 LEU 21 -0.625 -4.235 2.978 140 HD12 LEU 21 2HD1 LEU 21 -0.568 -3.419 4.559 141 HD13 LEU 21 3HD1 LEU 21 -1.436 -4.964 4.385 142 HD21 LEU 21 1HD2 LEU 21 -2.868 -2.365 1.632 143 HD22 LEU 21 2HD2 LEU 21 -2.028 -3.932 1.544 144 HD23 LEU 21 3HD2 LEU 21 -3.763 -3.872 1.939 145 H ALA 22 H ALA 22 -1.096 -2.834 6.337 146 HA ALA 22 HA ALA 22 -1.390 0.043 6.044 147 HB1 ALA 22 1HB ALA 22 -0.457 0.538 8.204 148 HB2 ALA 22 2HB ALA 22 -1.822 -0.573 8.469 149 HB3 ALA 22 3HB ALA 22 -0.152 -1.184 8.535 150 H VAL 23 H VAL 23 0.186 0.646 4.654 151 HA VAL 23 HA VAL 23 2.645 -0.962 4.676 152 HB VAL 23 HB VAL 23 1.211 0.509 2.462 153 HG11 VAL 23 1HG1 VAL 23 3.867 -0.931 2.209 154 HG12 VAL 23 2HG1 VAL 23 3.024 0.045 0.982 155 HG13 VAL 23 3HG1 VAL 23 3.723 0.831 2.418 156 HG21 VAL 23 1HG2 VAL 23 1.154 -2.189 3.398 157 HG22 VAL 23 2HG2 VAL 23 0.322 -1.479 1.993 158 HG23 VAL 23 3HG2 VAL 23 1.951 -2.173 1.806 159 HA PRO 24 HA PRO 24 4.097 2.940 6.176 160 HB2 PRO 24 1HB PRO 24 6.277 1.963 7.503 161 HB3 PRO 24 2HB PRO 24 4.697 2.127 8.245 162 HG2 PRO 24 1HG PRO 24 6.059 -0.323 7.306 163 HG3 PRO 24 2HG PRO 24 4.706 -0.174 8.409 164 HD2 PRO 24 1HD PRO 24 4.595 -0.971 5.656 165 HD3 PRO 24 2HD PRO 24 3.233 -0.709 6.728 166 H PHE 25 H PHE 25 5.038 4.384 4.890 167 HA PHE 25 HA PHE 25 7.194 3.277 3.240 168 HB2 PHE 25 1HB PHE 25 5.189 5.588 2.982 169 HB3 PHE 25 2HB PHE 25 6.562 5.457 1.900 170 HD1 PHE 25 2HD PHE 25 6.598 2.471 1.537 171 HD2 PHE 25 1HD PHE 25 3.393 5.253 1.514 172 HE1 PHE 25 2HE PHE 25 5.279 0.940 0.049 173 HE2 PHE 25 1HE PHE 25 2.074 3.721 0.026 174 HZ PHE 25 HZ PHE 25 3.033 1.583 -0.689 175 H ARG 26 H ARG 26 9.221 4.251 3.214 176 HA ARG 26 HA ARG 26 9.746 5.943 5.421 177 HB2 ARG 26 1HB ARG 26 11.226 4.151 3.797 178 HB3 ARG 26 2HB ARG 26 11.937 5.718 3.468 179 HG2 ARG 26 1HG ARG 26 11.380 5.083 6.350 180 HG3 ARG 26 2HG ARG 26 12.670 4.175 5.587 181 HD2 ARG 26 1HD ARG 26 13.899 6.019 6.283 182 HD3 ARG 26 2HD ARG 26 13.405 6.610 4.709 183 HE ARG 26 HE ARG 26 12.182 8.260 5.804 184 HH11 ARG 26 2HH2 ARG 26 12.461 5.484 7.949 185 HH12 ARG 26 1HH2 ARG 26 11.624 6.250 9.257 186 HH21 ARG 26 2HH1 ARG 26 11.078 9.271 7.530 187 HH22 ARG 26 1HH1 ARG 26 10.832 8.419 9.018 188 H VAL 27 H VAL 27 8.508 7.886 4.886 189 HA VAL 27 HA VAL 27 9.801 9.473 2.781 190 HB VAL 27 HB VAL 27 7.479 10.561 2.603 191 HG11 VAL 27 1HG1 VAL 27 8.256 7.859 1.515 192 HG12 VAL 27 2HG1 VAL 27 6.705 8.610 1.067 193 HG13 VAL 27 3HG1 VAL 27 8.236 9.441 0.701 194 HG21 VAL 27 1HG2 VAL 27 5.580 9.416 3.311 195 HG22 VAL 27 2HG2 VAL 27 6.451 7.876 3.502 196 HG23 VAL 27 3HG2 VAL 27 6.698 9.190 4.677 197 H SER 28 H SER 28 9.829 11.809 3.205 198 HA SER 28 HA SER 28 9.874 12.259 6.075 199 HB2 SER 28 1HB SER 28 11.682 12.906 3.960 200 HB3 SER 28 2HB SER 28 11.024 14.430 4.523 201 HG SER 28 HG SER 28 12.874 12.805 5.726 202 H PHE 29 H PHE 29 7.598 12.414 3.843 203 HA PHE 29 HA PHE 29 6.538 14.930 4.874 204 HB2 PHE 29 1HB PHE 29 5.652 15.227 2.431 205 HB3 PHE 29 2HB PHE 29 7.361 15.532 2.671 206 HD1 PHE 29 2HD PHE 29 4.991 12.861 1.627 207 HD2 PHE 29 1HD PHE 29 8.941 14.394 1.390 208 HE1 PHE 29 2HE PHE 29 5.542 11.167 -0.141 209 HE2 PHE 29 1HE PHE 29 9.492 12.699 -0.378 210 HZ PHE 29 HZ PHE 29 7.786 11.106 -1.122 211 H ARG 30 H ARG 30 4.102 15.102 4.354 212 HA ARG 30 HA ARG 30 2.967 12.621 5.121 213 HB2 ARG 30 1HB ARG 30 1.978 15.452 4.738 214 HB3 ARG 30 2HB ARG 30 0.784 14.170 4.774 215 HG2 ARG 30 1HG ARG 30 0.882 14.243 7.039 216 HG3 ARG 30 2HG ARG 30 2.494 13.563 6.935 217 HD2 ARG 30 1HD ARG 30 2.492 16.460 6.379 218 HD3 ARG 30 2HD ARG 30 1.820 16.100 7.957 219 HE ARG 30 HE ARG 30 4.320 14.667 7.362 220 HH11 ARG 30 2HH2 ARG 30 2.880 17.565 8.744 221 HH12 ARG 30 1HH2 ARG 30 4.258 17.936 9.726 222 HH21 ARG 30 2HH1 ARG 30 6.138 15.156 8.656 223 HH22 ARG 30 1HH1 ARG 30 6.124 16.557 9.675 224 H LEU 31 H LEU 31 2.470 11.051 3.621 225 HA LEU 31 HA LEU 31 2.270 11.673 0.863 226 HB2 LEU 31 1HB LEU 31 1.841 9.189 2.508 227 HB3 LEU 31 2HB LEU 31 1.530 9.220 0.783 228 HG LEU 31 HG LEU 31 4.201 10.146 1.786 229 HD11 LEU 31 1HD1 LEU 31 4.048 8.130 3.004 230 HD12 LEU 31 2HD1 LEU 31 3.277 7.273 1.648 231 HD13 LEU 31 3HD1 LEU 31 4.990 7.746 1.543 232 HD21 LEU 31 1HD2 LEU 31 3.273 8.721 -0.723 233 HD22 LEU 31 2HD2 LEU 31 3.709 10.440 -0.565 234 HD23 LEU 31 3HD2 LEU 31 4.954 9.184 -0.362 235 H LYS 32 H LYS 32 0.576 12.655 -0.090 236 HA LYS 32 HA LYS 32 -1.993 12.562 1.235 237 HB2 LYS 32 1HB LYS 32 -0.978 14.079 -1.185 238 HB3 LYS 32 2HB LYS 32 -2.615 14.194 -0.572 239 HG2 LYS 32 1HG LYS 32 -1.779 15.896 0.711 240 HG3 LYS 32 2HG LYS 32 -1.207 14.606 1.750 241 HD2 LYS 32 1HD LYS 32 0.685 16.047 1.326 242 HD3 LYS 32 2HD LYS 32 0.959 14.575 0.416 243 HE2 LYS 32 1HE LYS 32 1.167 15.825 -1.465 244 HE3 LYS 32 2HE LYS 32 -0.528 16.251 -1.332 245 HZ1 LYS 32 1HZ LYS 32 0.334 18.286 -1.138 246 HZ2 LYS 32 2HZ LYS 32 0.530 17.895 0.435 247 HZ3 LYS 32 3HZ LYS 32 1.789 17.780 -0.598 248 H GLY 33 H GLY 33 -3.991 12.037 -0.019 249 HA2 GLY 33 1HA GLY 33 -3.677 9.498 -1.304 250 HA3 GLY 33 2HA GLY 33 -5.165 10.376 -1.012 251 H LYS 34 H LYS 34 -2.144 11.174 -2.878 252 HA LYS 34 HA LYS 34 -3.730 11.201 -5.313 253 HB2 LYS 34 1HB LYS 34 -3.059 13.444 -5.927 254 HB3 LYS 34 2HB LYS 34 -3.945 13.480 -4.416 255 HG2 LYS 34 1HG LYS 34 -1.495 13.257 -3.349 256 HG3 LYS 34 2HG LYS 34 -0.993 13.908 -4.896 257 HD2 LYS 34 1HD LYS 34 -3.242 15.252 -3.371 258 HD3 LYS 34 2HD LYS 34 -1.581 15.549 -2.897 259 HE2 LYS 34 1HE LYS 34 -1.016 16.457 -5.067 260 HE3 LYS 34 2HE LYS 34 -2.496 15.858 -5.787 261 HZ1 LYS 34 1HZ LYS 34 -3.427 17.754 -5.230 262 HZ2 LYS 34 2HZ LYS 34 -3.214 17.435 -3.643 263 HZ3 LYS 34 3HZ LYS 34 -2.079 18.271 -4.468 264 H ASP 35 H ASP 35 -0.544 11.602 -3.668 265 HA ASP 35 HA ASP 35 0.783 10.840 -6.091 266 HB2 ASP 35 1HB ASP 35 1.557 11.854 -3.381 267 HB3 ASP 35 2HB ASP 35 2.737 10.821 -4.163 268 H VAL 36 H VAL 36 -1.101 9.071 -4.272 269 HA VAL 36 HA VAL 36 0.828 6.907 -3.788 270 HB VAL 36 HB VAL 36 -1.921 7.254 -2.586 271 HG11 VAL 36 1HG1 VAL 36 0.289 5.272 -2.314 272 HG12 VAL 36 2HG1 VAL 36 -0.574 5.737 -0.828 273 HG13 VAL 36 3HG1 VAL 36 -1.474 5.052 -2.202 274 HG21 VAL 36 1HG2 VAL 36 0.333 7.683 -0.775 275 HG22 VAL 36 2HG2 VAL 36 0.263 8.896 -2.076 276 HG23 VAL 36 3HG2 VAL 36 -1.143 8.647 -1.014 277 H VAL 37 H VAL 37 -0.262 4.650 -4.060 278 HA VAL 37 HA VAL 37 -2.273 4.664 -6.154 279 HB VAL 37 HB VAL 37 -0.768 4.436 -7.762 280 HG11 VAL 37 1HG1 VAL 37 0.972 5.411 -6.327 281 HG12 VAL 37 2HG1 VAL 37 1.352 3.795 -5.682 282 HG13 VAL 37 3HG1 VAL 37 1.644 4.160 -7.400 283 HG21 VAL 37 1HG2 VAL 37 -1.432 2.114 -7.622 284 HG22 VAL 37 2HG2 VAL 37 0.300 2.197 -8.026 285 HG23 VAL 37 3HG2 VAL 37 -0.209 1.797 -6.368 286 H VAL 38 H VAL 38 -3.792 3.194 -5.598 287 HA VAL 38 HA VAL 38 -2.925 0.705 -4.392 288 HB VAL 38 HB VAL 38 -4.714 2.722 -3.039 289 HG11 VAL 38 1HG1 VAL 38 -4.579 -0.266 -2.702 290 HG12 VAL 38 2HG1 VAL 38 -4.937 0.779 -1.306 291 HG13 VAL 38 3HG1 VAL 38 -5.997 0.809 -2.736 292 HG21 VAL 38 1HG2 VAL 38 -3.066 1.752 -1.122 293 HG22 VAL 38 2HG2 VAL 38 -2.019 1.578 -2.551 294 HG23 VAL 38 3HG2 VAL 38 -2.687 3.172 -2.127 295 H ASP 39 H ASP 39 -3.615 -0.372 -6.262 296 HA ASP 39 HA ASP 39 -6.205 0.204 -7.291 297 HB2 ASP 39 1HB ASP 39 -3.943 -0.757 -8.425 298 HB3 ASP 39 2HB ASP 39 -4.689 -2.293 -8.031 299 H ILE 40 H ILE 40 -7.860 -0.463 -5.855 300 HA ILE 40 HA ILE 40 -7.582 -3.042 -4.548 301 HB ILE 40 HB ILE 40 -9.334 -0.642 -4.214 302 HG12 ILE 40 1HG1 ILE 40 -7.757 -2.299 -2.224 303 HG13 ILE 40 2HG1 ILE 40 -7.135 -0.878 -3.040 304 HG21 ILE 40 1HG2 ILE 40 -11.123 -1.929 -3.847 305 HG22 ILE 40 2HG2 ILE 40 -10.158 -3.423 -3.792 306 HG23 ILE 40 3HG2 ILE 40 -10.305 -2.404 -2.340 307 HD11 ILE 40 1HD1 ILE 40 -7.950 0.134 -1.122 308 HD12 ILE 40 2HD1 ILE 40 -9.424 0.208 -2.117 309 HD13 ILE 40 3HD1 ILE 40 -9.234 -1.078 -0.901 310 H GLN 41 H GLN 41 -7.813 -4.565 -6.209 311 HA GLN 41 HA GLN 41 -10.215 -4.325 -7.807 312 HB2 GLN 41 1HB GLN 41 -7.588 -5.714 -8.090 313 HB3 GLN 41 2HB GLN 41 -8.965 -6.573 -8.749 314 HG2 GLN 41 1HG GLN 41 -8.300 -3.662 -9.395 315 HG3 GLN 41 2HG GLN 41 -7.836 -5.020 -10.401 316 HE21 GLN 41 1HE2 GLN 41 -9.402 -2.932 -11.307 317 HE22 GLN 41 2HE2 GLN 41 -11.000 -3.492 -11.673 318 H ARG 42 H ARG 42 -11.307 -6.608 -8.286 319 HA ARG 42 HA ARG 42 -12.607 -7.385 -6.091 320 HB2 ARG 42 1HB ARG 42 -13.168 -8.031 -8.456 321 HB3 ARG 42 2HB ARG 42 -11.853 -9.189 -8.447 322 HG2 ARG 42 1HG ARG 42 -13.313 -10.719 -7.625 323 HG3 ARG 42 2HG ARG 42 -13.309 -9.821 -6.120 324 HD2 ARG 42 1HD ARG 42 -15.282 -9.613 -8.424 325 HD3 ARG 42 2HD ARG 42 -15.616 -9.963 -6.739 326 HE ARG 42 HE ARG 42 -14.438 -7.419 -6.723 327 HH11 ARG 42 2HH2 ARG 42 -17.272 -8.886 -8.206 328 HH12 ARG 42 1HH2 ARG 42 -18.183 -7.414 -8.223 329 HH21 ARG 42 2HH1 ARG 42 -15.640 -5.476 -6.746 330 HH22 ARG 42 1HH1 ARG 42 -17.249 -5.460 -7.388 331 H ARG 43 H ARG 43 -9.752 -9.106 -7.563 332 HA ARG 43 HA ARG 43 -9.147 -10.050 -4.889 333 HB2 ARG 43 1HB ARG 43 -10.264 -11.750 -6.723 334 HB3 ARG 43 2HB ARG 43 -8.576 -11.937 -7.156 335 HG2 ARG 43 1HG ARG 43 -7.987 -12.604 -4.879 336 HG3 ARG 43 2HG ARG 43 -9.584 -12.191 -4.287 337 HD2 ARG 43 1HD ARG 43 -10.363 -14.257 -4.820 338 HD3 ARG 43 2HD ARG 43 -9.894 -14.040 -6.494 339 HE ARG 43 HE ARG 43 -7.580 -14.635 -4.854 340 HH11 ARG 43 2HH2 ARG 43 -10.370 -16.128 -6.393 341 HH12 ARG 43 1HH2 ARG 43 -9.627 -17.688 -6.518 342 HH21 ARG 43 2HH1 ARG 43 -6.599 -16.692 -5.018 343 HH22 ARG 43 1HH1 ARG 43 -7.468 -18.011 -5.731 344 H HIS 44 H HIS 44 -7.884 -7.848 -5.835 345 HA HIS 44 HA HIS 44 -5.211 -8.774 -6.161 346 HB2 HIS 44 1HB HIS 44 -6.609 -8.388 -8.526 347 HB3 HIS 44 2HB HIS 44 -5.766 -6.867 -8.316 348 HD1 HIS 44 1HD HIS 44 -3.054 -7.099 -7.951 349 HD2 HIS 44 2HD HIS 44 -5.059 -10.431 -9.524 350 HE1 HIS 44 1HE HIS 44 -1.264 -8.574 -9.015 351 H LEU 45 H LEU 45 -3.816 -7.336 -5.190 352 HA LEU 45 HA LEU 45 -4.877 -4.646 -4.698 353 HB2 LEU 45 1HB LEU 45 -5.049 -6.320 -2.751 354 HB3 LEU 45 2HB LEU 45 -3.305 -6.184 -2.648 355 HG LEU 45 HG LEU 45 -3.452 -3.811 -2.177 356 HD11 LEU 45 1HD1 LEU 45 -6.264 -4.172 -3.051 357 HD12 LEU 45 2HD1 LEU 45 -5.988 -3.056 -1.692 358 HD13 LEU 45 3HD1 LEU 45 -5.161 -2.788 -3.245 359 HD21 LEU 45 1HD2 LEU 45 -4.302 -5.858 -0.482 360 HD22 LEU 45 2HD2 LEU 45 -3.758 -4.228 -0.016 361 HD23 LEU 45 3HD2 LEU 45 -5.492 -4.554 -0.251 362 H ARG 46 H ARG 46 -3.612 -3.271 -5.824 363 HA ARG 46 HA ARG 46 -0.776 -3.933 -5.880 364 HB2 ARG 46 1HB ARG 46 -2.334 -3.758 -8.080 365 HB3 ARG 46 2HB ARG 46 -1.998 -2.047 -7.901 366 HG2 ARG 46 1HG ARG 46 0.527 -2.897 -7.622 367 HG3 ARG 46 2HG ARG 46 -0.075 -4.310 -8.466 368 HD2 ARG 46 1HD ARG 46 -0.446 -1.457 -9.495 369 HD3 ARG 46 2HD ARG 46 0.887 -2.487 -9.974 370 HE ARG 46 HE ARG 46 -1.749 -3.735 -10.323 371 HH11 ARG 46 2HH2 ARG 46 0.729 -1.729 -11.812 372 HH12 ARG 46 1HH2 ARG 46 0.218 -2.076 -13.431 373 HH21 ARG 46 2HH1 ARG 46 -2.423 -4.193 -12.458 374 HH22 ARG 46 1HH1 ARG 46 -1.587 -3.487 -13.800 375 H VAL 47 H VAL 47 0.463 -2.541 -4.662 376 HA VAL 47 HA VAL 47 -0.379 0.259 -4.553 377 HB VAL 47 HB VAL 47 0.470 -1.397 -2.169 378 HG11 VAL 47 1HG1 VAL 47 -0.629 0.859 -1.143 379 HG12 VAL 47 2HG1 VAL 47 1.111 0.660 -1.461 380 HG13 VAL 47 3HG1 VAL 47 0.082 1.507 -2.641 381 HG21 VAL 47 1HG2 VAL 47 -2.189 -0.794 -3.329 382 HG22 VAL 47 2HG2 VAL 47 -1.667 -2.133 -2.279 383 HG23 VAL 47 3HG2 VAL 47 -2.039 -0.542 -1.574 384 H GLY 48 H GLY 48 1.268 1.577 -5.137 385 HA2 GLY 48 1HA GLY 48 3.982 0.968 -4.363 386 HA3 GLY 48 2HA GLY 48 3.677 0.792 -6.079 387 H LEU 49 H LEU 49 3.775 3.062 -3.334 388 HA LEU 49 HA LEU 49 2.842 5.349 -3.948 389 HB2 LEU 49 1HB LEU 49 5.684 4.702 -3.256 390 HB3 LEU 49 2HB LEU 49 5.213 6.368 -3.523 391 HG LEU 49 HG LEU 49 4.155 4.473 -1.415 392 HD11 LEU 49 1HD1 LEU 49 6.233 6.491 -1.485 393 HD12 LEU 49 2HD1 LEU 49 4.996 6.879 -0.266 394 HD13 LEU 49 3HD1 LEU 49 5.830 5.307 -0.218 395 HD21 LEU 49 1HD2 LEU 49 3.055 7.088 -2.395 396 HD22 LEU 49 2HD2 LEU 49 2.206 5.594 -1.932 397 HD23 LEU 49 3HD2 LEU 49 2.906 6.644 -0.678 398 H LYS 50 H LYS 50 2.477 6.658 -5.659 399 HA LYS 50 HA LYS 50 3.075 6.065 -8.204 400 HB2 LYS 50 1HB LYS 50 2.382 8.555 -6.747 401 HB3 LYS 50 2HB LYS 50 3.056 8.777 -8.349 402 HG2 LYS 50 1HG LYS 50 1.239 7.814 -9.404 403 HG3 LYS 50 2HG LYS 50 0.995 6.626 -8.140 404 HD2 LYS 50 1HD LYS 50 -0.054 8.307 -6.683 405 HD3 LYS 50 2HD LYS 50 0.328 9.588 -7.816 406 HE2 LYS 50 1HE LYS 50 -1.083 7.570 -9.295 407 HE3 LYS 50 2HE LYS 50 -1.966 7.811 -7.801 408 HZ1 LYS 50 1HZ LYS 50 -2.802 9.492 -9.006 409 HZ2 LYS 50 2HZ LYS 50 -1.502 10.301 -8.437 410 HZ3 LYS 50 3HZ LYS 50 -1.479 9.677 -9.946 411 H GLY 51 H GLY 51 4.884 5.816 -9.395 412 HA2 GLY 51 1HA GLY 51 6.906 6.573 -10.265 413 HA3 GLY 51 2HA GLY 51 7.184 7.541 -8.831 414 H GLN 52 H GLN 52 6.506 5.430 -6.876 415 HA GLN 52 HA GLN 52 9.025 4.058 -7.031 416 HB2 GLN 52 1HB GLN 52 7.100 4.818 -4.913 417 HB3 GLN 52 2HB GLN 52 7.796 3.227 -4.680 418 HG2 GLN 52 1HG GLN 52 9.885 5.073 -5.516 419 HG3 GLN 52 2HG GLN 52 9.016 5.762 -4.159 420 HE21 GLN 52 1HE2 GLN 52 8.473 4.114 -2.391 421 HE22 GLN 52 2HE2 GLN 52 9.758 3.072 -1.877 422 HA PRO 53 HA PRO 53 7.377 0.138 -7.918 423 HB2 PRO 53 1HB PRO 53 8.728 -1.601 -6.300 424 HB3 PRO 53 2HB PRO 53 9.418 -0.916 -7.758 425 HG2 PRO 53 1HG PRO 53 9.979 -0.223 -4.939 426 HG3 PRO 53 2HG PRO 53 10.933 0.127 -6.367 427 HD2 PRO 53 1HD PRO 53 9.261 1.961 -4.928 428 HD3 PRO 53 2HD PRO 53 10.123 2.278 -6.420 429 HA PRO 54 HA PRO 54 4.127 -0.877 -5.384 430 HB2 PRO 54 1HB PRO 54 3.211 -3.167 -6.560 431 HB3 PRO 54 2HB PRO 54 2.824 -1.565 -7.153 432 HG2 PRO 54 1HG PRO 54 4.715 -3.546 -8.266 433 HG3 PRO 54 2HG PRO 54 4.002 -2.148 -9.047 434 HD2 PRO 54 1HD PRO 54 6.679 -2.373 -8.041 435 HD3 PRO 54 2HD PRO 54 5.930 -0.940 -8.717 436 H VAL 55 H VAL 55 4.624 -1.264 -3.309 437 HA VAL 55 HA VAL 55 6.247 -3.522 -2.701 438 HB VAL 55 HB VAL 55 6.074 -1.255 -1.520 439 HG11 VAL 55 1HG1 VAL 55 4.463 -1.156 0.352 440 HG12 VAL 55 2HG1 VAL 55 3.652 -1.185 -1.232 441 HG13 VAL 55 3HG1 VAL 55 3.706 -2.657 -0.233 442 HG21 VAL 55 1HG2 VAL 55 6.465 -2.371 0.751 443 HG22 VAL 55 2HG2 VAL 55 6.142 -3.914 -0.076 444 HG23 VAL 55 3HG2 VAL 55 7.505 -2.894 -0.596 445 H VAL 56 H VAL 56 3.034 -3.235 -3.652 446 HA VAL 56 HA VAL 56 2.442 -5.816 -2.426 447 HB VAL 56 HB VAL 56 0.410 -3.592 -2.503 448 HG11 VAL 56 1HG1 VAL 56 -0.295 -5.268 -0.475 449 HG12 VAL 56 2HG1 VAL 56 -0.879 -5.416 -2.150 450 HG13 VAL 56 3HG1 VAL 56 0.489 -6.408 -1.594 451 HG21 VAL 56 1HG2 VAL 56 1.889 -2.631 -1.003 452 HG22 VAL 56 2HG2 VAL 56 0.876 -3.616 0.081 453 HG23 VAL 56 3HG2 VAL 56 2.483 -4.202 -0.413 454 H ASP 57 H ASP 57 2.106 -7.188 -4.090 455 HA ASP 57 HA ASP 57 0.284 -6.416 -6.128 456 HB2 ASP 57 1HB ASP 57 2.274 -5.472 -7.143 457 HB3 ASP 57 2HB ASP 57 3.234 -6.878 -6.728 458 H GLY 58 H GLY 58 -0.915 -8.296 -5.484 459 HA2 GLY 58 1HA GLY 58 -0.002 -10.802 -6.512 460 HA3 GLY 58 2HA GLY 58 0.059 -10.760 -4.761 461 H GLU 59 H GLU 59 -1.723 -12.317 -6.639 462 HA GLU 59 HA GLU 59 -4.261 -11.173 -6.597 463 HB2 GLU 59 1HB GLU 59 -3.760 -12.953 -8.156 464 HB3 GLU 59 2HB GLU 59 -3.297 -14.047 -6.868 465 HG2 GLU 59 1HG GLU 59 -5.527 -14.394 -6.167 466 HG3 GLU 59 2HG GLU 59 -6.090 -12.884 -6.855 467 H LEU 60 H LEU 60 -5.635 -10.839 -4.905 468 HA LEU 60 HA LEU 60 -5.019 -11.490 -2.311 469 HB2 LEU 60 1HB LEU 60 -7.624 -10.831 -3.671 470 HB3 LEU 60 2HB LEU 60 -7.512 -11.083 -1.941 471 HG LEU 60 HG LEU 60 -5.807 -9.043 -3.377 472 HD11 LEU 60 1HD1 LEU 60 -7.936 -8.277 -3.936 473 HD12 LEU 60 2HD1 LEU 60 -8.641 -8.797 -2.386 474 HD13 LEU 60 3HD1 LEU 60 -7.550 -7.391 -2.441 475 HD21 LEU 60 1HD2 LEU 60 -5.008 -8.490 -1.370 476 HD22 LEU 60 2HD2 LEU 60 -6.621 -8.524 -0.618 477 HD23 LEU 60 3HD2 LEU 60 -5.692 -10.031 -0.800 478 H TYR 61 H TYR 61 -6.286 -12.952 -0.797 479 HA TYR 61 HA TYR 61 -6.077 -15.607 -1.763 480 HB2 TYR 61 1HB TYR 61 -5.621 -15.004 0.580 481 HB3 TYR 61 2HB TYR 61 -7.146 -14.152 0.720 482 HD1 TYR 61 2HD TYR 61 -5.556 -17.483 0.629 483 HD2 TYR 61 1HD TYR 61 -9.206 -15.328 1.211 484 HE1 TYR 61 2HE TYR 61 -6.642 -19.569 1.596 485 HE2 TYR 61 1HE TYR 61 -10.279 -17.421 2.176 486 HH TYR 61 HH TYR 61 -9.872 -19.438 2.990 487 H ASN 62 H ASN 62 -8.770 -13.302 -1.245 488 HA ASN 62 HA ASN 62 -10.427 -15.050 -2.791 489 HB2 ASN 62 1HB ASN 62 -10.805 -14.593 0.150 490 HB3 ASN 62 2HB ASN 62 -12.255 -14.429 -0.820 491 HD21 ASN 62 1HD2 ASN 62 -13.153 -16.167 -1.831 492 HD22 ASN 62 2HD2 ASN 62 -12.668 -17.809 -1.566 493 H GLU 63 H GLU 63 -12.338 -13.841 -3.633 494 HA GLU 63 HA GLU 63 -11.842 -11.289 -4.327 495 HB2 GLU 63 1HB GLU 63 -14.527 -12.685 -3.965 496 HB3 GLU 63 2HB GLU 63 -14.348 -11.143 -4.778 497 HG2 GLU 63 1HG GLU 63 -12.718 -12.214 -6.383 498 HG3 GLU 63 2HG GLU 63 -12.992 -13.757 -5.597 499 H VAL 64 H VAL 64 -12.874 -9.199 -3.708 500 HA VAL 64 HA VAL 64 -13.962 -9.110 -1.023 501 HB VAL 64 HB VAL 64 -12.304 -7.257 -0.480 502 HG11 VAL 64 1HG1 VAL 64 -10.729 -8.790 0.491 503 HG12 VAL 64 2HG1 VAL 64 -12.334 -9.559 0.525 504 HG13 VAL 64 3HG1 VAL 64 -11.137 -10.049 -0.698 505 HG21 VAL 64 1HG2 VAL 64 -10.648 -8.625 -2.624 506 HG22 VAL 64 2HG2 VAL 64 -11.429 -7.037 -2.812 507 HG23 VAL 64 3HG2 VAL 64 -10.159 -7.265 -1.585 508 H LYS 65 H LYS 65 -15.575 -7.609 -0.915 509 HA LYS 65 HA LYS 65 -16.493 -6.371 -3.199 510 HB2 LYS 65 1HB LYS 65 -17.514 -6.848 -0.767 511 HB3 LYS 65 2HB LYS 65 -17.121 -5.155 -0.546 512 HG2 LYS 65 1HG LYS 65 -18.951 -4.563 -1.741 513 HG3 LYS 65 2HG LYS 65 -18.311 -5.392 -3.147 514 HD2 LYS 65 1HD LYS 65 -19.376 -7.480 -2.518 515 HD3 LYS 65 2HD LYS 65 -19.775 -6.875 -0.922 516 HE2 LYS 65 1HE LYS 65 -20.833 -5.412 -3.355 517 HE3 LYS 65 2HE LYS 65 -21.612 -6.898 -2.849 518 HZ1 LYS 65 1HZ LYS 65 -21.084 -5.041 -0.731 519 HZ2 LYS 65 2HZ LYS 65 -22.164 -4.516 -1.838 520 HZ3 LYS 65 3HZ LYS 65 -22.428 -5.916 -1.040 521 H VAL 66 H VAL 66 -15.126 -5.106 -4.407 522 HA VAL 66 HA VAL 66 -13.350 -3.263 -3.149 523 HB VAL 66 HB VAL 66 -12.496 -2.936 -5.243 524 HG11 VAL 66 1HG1 VAL 66 -12.287 -5.036 -6.298 525 HG12 VAL 66 2HG1 VAL 66 -12.646 -5.413 -4.596 526 HG13 VAL 66 3HG1 VAL 66 -13.928 -5.536 -5.824 527 HG21 VAL 66 1HG2 VAL 66 -14.381 -1.894 -6.307 528 HG22 VAL 66 2HG2 VAL 66 -13.817 -3.211 -7.363 529 HG23 VAL 66 3HG2 VAL 66 -15.272 -3.434 -6.362 530 H GLU 67 H GLU 67 -16.695 -3.263 -4.169 531 HA GLU 67 HA GLU 67 -16.869 -0.494 -4.633 532 HB2 GLU 67 1HB GLU 67 -19.044 -2.512 -3.919 533 HB3 GLU 67 2HB GLU 67 -19.333 -0.898 -4.535 534 HG2 GLU 67 1HG GLU 67 -18.775 -1.473 -6.689 535 HG3 GLU 67 2HG GLU 67 -17.429 -2.474 -6.183 536 H GLU 68 H GLU 68 -16.386 -2.338 -1.803 537 HA GLU 68 HA GLU 68 -17.462 -0.142 -0.211 538 HB2 GLU 68 1HB GLU 68 -17.277 -3.097 0.521 539 HB3 GLU 68 2HB GLU 68 -17.749 -1.833 1.639 540 HG2 GLU 68 1HG GLU 68 -19.344 -1.476 -0.717 541 HG3 GLU 68 2HG GLU 68 -19.368 -3.191 -0.354 542 H SER 69 H SER 69 -14.691 -1.550 -1.424 543 HA SER 69 HA SER 69 -13.130 -1.512 0.944 544 HB2 SER 69 1HB SER 69 -12.336 -1.631 -1.999 545 HB3 SER 69 2HB SER 69 -11.217 -1.838 -0.667 546 HG SER 69 HG SER 69 -13.455 -3.482 -0.423 547 H SER 70 H SER 70 -11.376 0.016 1.416 548 HA SER 70 HA SER 70 -11.184 2.355 -0.184 549 HB2 SER 70 1HB SER 70 -11.757 3.894 1.784 550 HB3 SER 70 2HB SER 70 -13.114 3.115 0.995 551 HG SER 70 HG SER 70 -11.921 1.747 3.193 552 H TRP 71 H TRP 71 -9.138 3.288 0.093 553 HA TRP 71 HA TRP 71 -7.572 2.219 2.343 554 HB2 TRP 71 1HB TRP 71 -5.623 2.280 0.933 555 HB3 TRP 71 2HB TRP 71 -6.865 1.277 0.211 556 HD1 TRP 71 HD TRP 71 -7.768 2.029 -2.196 557 HE1 TRP 71 1HE TRP 71 -7.128 3.861 -3.984 558 HE3 TRP 71 3HE TRP 71 -4.744 4.723 0.878 559 HZ2 TRP 71 2HZ TRP 71 -5.466 6.180 -3.913 560 HZ3 TRP 71 3HZ TRP 71 -3.651 6.758 -0.060 561 HH2 TRP 71 HH TRP 71 -3.972 7.498 -2.367 562 H LEU 72 H LEU 72 -5.888 3.751 3.156 563 HA LEU 72 HA LEU 72 -6.124 6.493 2.339 564 HB2 LEU 72 1HB LEU 72 -6.859 7.369 4.449 565 HB3 LEU 72 2HB LEU 72 -8.068 6.292 3.780 566 HG LEU 72 HG LEU 72 -8.074 5.765 6.038 567 HD11 LEU 72 1HD1 LEU 72 -7.731 3.783 4.487 568 HD12 LEU 72 2HD1 LEU 72 -6.044 3.756 5.054 569 HD13 LEU 72 3HD1 LEU 72 -7.376 3.519 6.211 570 HD21 LEU 72 1HD2 LEU 72 -6.130 5.531 7.464 571 HD22 LEU 72 2HD2 LEU 72 -5.044 5.773 6.075 572 HD23 LEU 72 3HD2 LEU 72 -6.087 7.104 6.632 573 H ILE 73 H ILE 73 -4.740 7.817 4.201 574 HA ILE 73 HA ILE 73 -2.351 6.154 4.610 575 HB ILE 73 HB ILE 73 -2.468 9.095 3.934 576 HG12 ILE 73 1HG1 ILE 73 -1.285 7.094 2.068 577 HG13 ILE 73 2HG1 ILE 73 -3.034 7.148 2.168 578 HG21 ILE 73 1HG2 ILE 73 -0.082 9.015 3.793 579 HG22 ILE 73 2HG2 ILE 73 -0.561 8.358 5.376 580 HG23 ILE 73 3HG2 ILE 73 -0.066 7.257 4.068 581 HD11 ILE 73 1HD1 ILE 73 -2.829 8.831 0.629 582 HD12 ILE 73 2HD1 ILE 73 -2.464 9.837 2.052 583 HD13 ILE 73 3HD1 ILE 73 -1.138 9.162 1.076 584 H GLU 74 H GLU 74 -1.598 6.007 6.670 585 HA GLU 74 HA GLU 74 -2.980 7.680 8.604 586 HB2 GLU 74 1HB GLU 74 -1.731 4.936 8.701 587 HB3 GLU 74 2HB GLU 74 -1.822 5.861 10.187 588 HG2 GLU 74 1HG GLU 74 -4.372 6.233 9.197 589 HG3 GLU 74 2HG GLU 74 -4.015 4.631 8.582 590 H ASP 75 H ASP 75 -1.872 9.138 9.899 591 HA ASP 75 HA ASP 75 -0.267 10.432 10.569 592 HB2 ASP 75 1HB ASP 75 1.282 7.821 10.364 593 HB3 ASP 75 2HB ASP 75 2.060 9.287 10.925 594 H GLY 76 H GLY 76 -0.668 9.693 7.540 595 HA2 GLY 76 1HA GLY 76 0.263 10.143 5.538 596 HA3 GLY 76 2HA GLY 76 0.956 11.532 6.351 597 H LYS 77 H LYS 77 1.630 8.032 6.967 598 HA LYS 77 HA LYS 77 4.284 8.411 5.808 599 HB2 LYS 77 1HB LYS 77 5.164 7.130 7.871 600 HB3 LYS 77 2HB LYS 77 4.859 8.850 8.011 601 HG2 LYS 77 1HG LYS 77 2.927 8.551 9.315 602 HG3 LYS 77 2HG LYS 77 2.603 6.955 8.667 603 HD2 LYS 77 1HD LYS 77 3.485 6.211 10.644 604 HD3 LYS 77 2HD LYS 77 5.031 6.501 9.871 605 HE2 LYS 77 1HE LYS 77 5.525 8.098 11.403 606 HE3 LYS 77 2HE LYS 77 4.114 9.021 10.926 607 HZ1 LYS 77 1HZ LYS 77 2.944 8.227 12.639 608 HZ2 LYS 77 2HZ LYS 77 3.587 6.727 12.575 609 HZ3 LYS 77 3HZ LYS 77 4.407 7.936 13.306 610 H VAL 78 H VAL 78 1.758 6.228 7.163 611 HA VAL 78 HA VAL 78 2.771 4.165 5.330 612 HB VAL 78 HB VAL 78 2.356 2.556 6.873 613 HG11 VAL 78 1HG1 VAL 78 4.008 4.208 7.798 614 HG12 VAL 78 2HG1 VAL 78 2.688 4.900 8.771 615 HG13 VAL 78 3HG1 VAL 78 3.193 3.212 9.027 616 HG21 VAL 78 1HG2 VAL 78 0.677 2.625 8.633 617 HG22 VAL 78 2HG2 VAL 78 0.334 4.335 8.277 618 HG23 VAL 78 3HG2 VAL 78 -0.059 3.081 7.077 619 H VAL 79 H VAL 79 1.284 3.120 3.966 620 HA VAL 79 HA VAL 79 -1.231 4.571 3.692 621 HB VAL 79 HB VAL 79 0.556 2.976 1.919 622 HG11 VAL 79 1HG1 VAL 79 -2.422 3.320 1.430 623 HG12 VAL 79 2HG1 VAL 79 -1.238 2.782 0.215 624 HG13 VAL 79 3HG1 VAL 79 -1.547 1.787 1.658 625 HG21 VAL 79 1HG2 VAL 79 -1.081 5.351 1.091 626 HG22 VAL 79 2HG2 VAL 79 0.303 5.591 2.184 627 HG23 VAL 79 3HG2 VAL 79 0.552 4.855 0.582 628 H THR 80 H THR 80 -3.108 3.729 4.432 629 HA THR 80 HA THR 80 -3.082 0.888 5.175 630 HB THR 80 HB THR 80 -5.319 1.983 6.334 631 HG1 THR 80 1HG THR 80 -3.223 4.013 6.362 632 HG21 THR 80 1HG2 THR 80 -2.411 1.983 7.237 633 HG22 THR 80 2HG2 THR 80 -3.675 2.698 8.266 634 HG23 THR 80 3HG2 THR 80 -3.754 0.975 7.828 635 H VAL 81 H VAL 81 -4.805 -0.511 4.614 636 HA VAL 81 HA VAL 81 -6.537 0.521 2.489 637 HB VAL 81 HB VAL 81 -4.977 -2.069 2.402 638 HG11 VAL 81 1HG1 VAL 81 -6.370 -2.751 0.800 639 HG12 VAL 81 2HG1 VAL 81 -7.391 -1.328 1.122 640 HG13 VAL 81 3HG1 VAL 81 -6.114 -1.246 -0.116 641 HG21 VAL 81 1HG2 VAL 81 -4.530 0.620 1.119 642 HG22 VAL 81 2HG2 VAL 81 -3.366 -0.455 1.929 643 HG23 VAL 81 3HG2 VAL 81 -3.985 -0.870 0.313 644 H HIS 82 H HIS 82 -8.648 -0.199 2.605 645 HA HIS 82 HA HIS 82 -9.159 -2.139 4.743 646 HB2 HIS 82 1HB HIS 82 -9.877 0.215 5.211 647 HB3 HIS 82 2HB HIS 82 -10.962 0.122 3.838 648 HD1 HIS 82 1HD HIS 82 -10.446 -1.336 7.304 649 HD2 HIS 82 2HD HIS 82 -13.364 -1.228 4.292 650 HE1 HIS 82 1HE HIS 82 -12.570 -2.309 8.331 651 H LEU 83 H LEU 83 -9.326 -4.055 3.611 652 HA LEU 83 HA LEU 83 -10.858 -4.044 1.143 653 HB2 LEU 83 1HB LEU 83 -9.337 -6.276 2.496 654 HB3 LEU 83 2HB LEU 83 -10.050 -6.324 0.896 655 HG LEU 83 HG LEU 83 -7.925 -5.870 0.276 656 HD11 LEU 83 1HD1 LEU 83 -8.472 -3.010 1.040 657 HD12 LEU 83 2HD1 LEU 83 -7.667 -3.659 -0.409 658 HD13 LEU 83 3HD1 LEU 83 -9.428 -3.833 -0.216 659 HD21 LEU 83 1HD2 LEU 83 -7.423 -5.719 2.926 660 HD22 LEU 83 2HD2 LEU 83 -6.217 -5.379 1.662 661 HD23 LEU 83 3HD2 LEU 83 -7.087 -4.038 2.445 662 H GLU 84 H GLU 84 -12.791 -5.218 0.834 663 HA GLU 84 HA GLU 84 -14.039 -5.981 3.358 664 HB2 GLU 84 1HB GLU 84 -14.961 -3.971 1.987 665 HB3 GLU 84 2HB GLU 84 -15.541 -5.168 0.845 666 HG2 GLU 84 1HG GLU 84 -17.344 -5.555 2.158 667 HG3 GLU 84 2HG GLU 84 -16.292 -6.099 3.450 668 H LYS 85 H LYS 85 -14.641 -8.102 3.593 669 HA LYS 85 HA LYS 85 -14.054 -9.909 1.471 670 HB2 LYS 85 1HB LYS 85 -15.149 -10.220 4.271 671 HB3 LYS 85 2HB LYS 85 -15.001 -11.579 3.175 672 HG2 LYS 85 1HG LYS 85 -12.560 -11.077 2.891 673 HG3 LYS 85 2HG LYS 85 -12.713 -9.728 4.000 674 HD2 LYS 85 1HD LYS 85 -13.524 -11.347 5.777 675 HD3 LYS 85 2HD LYS 85 -13.222 -12.666 4.664 676 HE2 LYS 85 1HE LYS 85 -10.809 -11.987 4.526 677 HE3 LYS 85 2HE LYS 85 -11.116 -10.684 5.656 678 HZ1 LYS 85 1HZ LYS 85 -10.812 -13.461 6.165 679 HZ2 LYS 85 2HZ LYS 85 -10.647 -12.195 7.183 680 HZ3 LYS 85 3HZ LYS 85 -12.125 -12.835 6.909 681 H ILE 86 H ILE 86 -15.410 -10.872 0.009 682 HA ILE 86 HA ILE 86 -17.850 -9.675 -0.547 683 HB ILE 86 HB ILE 86 -16.713 -12.348 -1.368 684 HG12 ILE 86 1HG1 ILE 86 -15.456 -10.179 -1.906 685 HG13 ILE 86 2HG1 ILE 86 -15.791 -11.283 -3.226 686 HG21 ILE 86 1HG2 ILE 86 -18.338 -11.875 -3.372 687 HG22 ILE 86 2HG2 ILE 86 -18.930 -12.662 -1.890 688 HG23 ILE 86 3HG2 ILE 86 -19.231 -10.929 -2.157 689 HD11 ILE 86 1HD1 ILE 86 -17.278 -8.715 -2.539 690 HD12 ILE 86 2HD1 ILE 86 -16.366 -9.086 -4.022 691 HD13 ILE 86 3HD1 ILE 86 -17.910 -9.910 -3.697 692 H ASN 87 H ASN 87 -17.223 -12.978 0.847 693 HA ASN 87 HA ASN 87 -19.973 -13.051 1.666 694 HB2 ASN 87 1HB ASN 87 -17.982 -14.984 0.984 695 HB3 ASN 87 2HB ASN 87 -18.312 -15.244 2.685 696 HD21 ASN 87 1HD2 ASN 87 -19.209 -16.009 -0.389 697 HD22 ASN 87 2HD2 ASN 87 -20.824 -16.581 -0.136 698 H LYS 88 H LYS 88 -16.803 -12.213 2.875 699 HA LYS 88 HA LYS 88 -15.944 -11.924 4.915 700 HB2 LYS 88 1HB LYS 88 -17.355 -10.411 6.341 701 HB3 LYS 88 2HB LYS 88 -17.119 -9.875 4.689 702 HG2 LYS 88 1HG LYS 88 -19.341 -10.708 4.041 703 HG3 LYS 88 2HG LYS 88 -19.573 -11.439 5.617 704 HD2 LYS 88 1HD LYS 88 -18.928 -8.730 6.164 705 HD3 LYS 88 2HD LYS 88 -20.007 -8.663 4.784 706 HE2 LYS 88 1HE LYS 88 -21.648 -10.119 6.012 707 HE3 LYS 88 2HE LYS 88 -20.573 -10.148 7.396 708 HZ1 LYS 88 1HZ LYS 88 -21.968 -7.832 6.272 709 HZ2 LYS 88 2HZ LYS 88 -22.088 -8.446 7.781 710 HZ3 LYS 88 3HZ LYS 88 -20.730 -7.663 7.323 711 H MET 89 H MET 89 -15.952 -14.361 5.167 712 HA MET 89 HA MET 89 -16.899 -14.954 7.723 713 HB2 MET 89 1HB MET 89 -18.534 -16.744 7.120 714 HB3 MET 89 2HB MET 89 -19.073 -15.196 6.500 715 HG2 MET 89 1HG MET 89 -19.191 -16.138 4.436 716 HG3 MET 89 2HG MET 89 -17.441 -16.241 4.436 717 HE1 MET 89 1HE MET 89 -20.789 -17.984 5.275 718 HE2 MET 89 2HE MET 89 -20.306 -18.193 3.575 719 HE3 MET 89 3HE MET 89 -20.406 -19.606 4.652 720 H GLU 90 H GLU 90 -14.375 -14.997 6.507 721 HA GLU 90 HA GLU 90 -13.609 -17.627 7.076 722 HB2 GLU 90 1HB GLU 90 -14.407 -18.174 4.850 723 HB3 GLU 90 2HB GLU 90 -13.592 -16.790 4.148 724 HG2 GLU 90 1HG GLU 90 -11.745 -18.055 3.813 725 HG3 GLU 90 2HG GLU 90 -11.581 -18.267 5.545 726 H TRP 91 H TRP 91 -11.418 -17.665 7.644 727 HA TRP 91 HA TRP 91 -10.120 -15.093 7.651 728 HB2 TRP 91 1HB TRP 91 -9.946 -16.231 9.673 729 HB3 TRP 91 2HB TRP 91 -9.591 -17.766 8.907 730 HD1 TRP 91 HD TRP 91 -6.999 -18.036 7.912 731 HE1 TRP 91 1HE TRP 91 -4.686 -16.993 8.638 732 HE3 TRP 91 3HE TRP 91 -8.977 -14.191 10.586 733 HZ2 TRP 91 2HZ TRP 91 -3.960 -14.726 10.213 734 HZ3 TRP 91 3HZ TRP 91 -7.397 -12.607 11.687 735 HH2 TRP 91 HH TRP 91 -4.967 -12.828 11.533 736 H TRP 92 H TRP 92 -8.152 -14.604 6.553 737 HA TRP 92 HA TRP 92 -7.726 -16.257 4.199 738 HB2 TRP 92 1HB TRP 92 -6.866 -13.478 4.989 739 HB3 TRP 92 2HB TRP 92 -6.211 -14.299 3.586 740 HD1 TRP 92 HD TRP 92 -9.834 -15.158 3.985 741 HE1 TRP 92 1HE TRP 92 -11.391 -13.843 2.308 742 HE3 TRP 92 3HE TRP 92 -6.301 -11.814 2.503 743 HZ2 TRP 92 2HZ TRP 92 -10.979 -11.603 0.589 744 HZ3 TRP 92 3HZ TRP 92 -6.961 -10.096 0.822 745 HH2 TRP 92 HH TRP 92 -9.208 -9.957 -0.129 746 H ASN 93 H ASN 93 -5.814 -17.410 3.828 747 HA ASN 93 HA ASN 93 -4.202 -17.779 6.172 748 HB2 ASN 93 1HB ASN 93 -4.704 -19.234 3.600 749 HB3 ASN 93 2HB ASN 93 -3.079 -19.399 4.233 750 HD21 ASN 93 1HD2 ASN 93 -3.572 -21.623 4.523 751 HD22 ASN 93 2HD2 ASN 93 -4.445 -22.182 5.911 752 H ARG 94 H ARG 94 -4.255 -15.859 3.317 753 HA ARG 94 HA ARG 94 -1.752 -14.774 3.859 754 HB2 ARG 94 1HB ARG 94 -0.985 -15.422 1.324 755 HB3 ARG 94 2HB ARG 94 -0.497 -16.350 2.728 756 HG2 ARG 94 1HG ARG 94 -1.348 -18.018 1.296 757 HG3 ARG 94 2HG ARG 94 -2.710 -17.705 2.353 758 HD2 ARG 94 1HD ARG 94 -3.878 -16.453 0.699 759 HD3 ARG 94 2HD ARG 94 -2.425 -16.133 -0.228 760 HE ARG 94 HE ARG 94 -4.141 -18.412 -0.530 761 HH11 ARG 94 2HH2 ARG 94 -0.723 -17.577 -0.495 762 HH12 ARG 94 1HH2 ARG 94 -0.260 -18.894 -1.521 763 HH21 ARG 94 2HH1 ARG 94 -3.531 -20.148 -1.884 764 HH22 ARG 94 1HH1 ARG 94 -1.868 -20.366 -2.317 765 H LEU 95 H LEU 95 -2.199 -12.642 3.404 766 HA LEU 95 HA LEU 95 -4.338 -11.645 2.168 767 HB2 LEU 95 1HB LEU 95 -2.355 -10.517 3.373 768 HB3 LEU 95 2HB LEU 95 -1.648 -10.364 1.777 769 HG LEU 95 HG LEU 95 -3.748 -9.145 1.062 770 HD11 LEU 95 1HD1 LEU 95 -5.499 -8.924 2.407 771 HD12 LEU 95 2HD1 LEU 95 -4.694 -10.019 3.556 772 HD13 LEU 95 3HD1 LEU 95 -4.485 -8.258 3.710 773 HD21 LEU 95 1HD2 LEU 95 -3.047 -7.020 2.023 774 HD22 LEU 95 2HD2 LEU 95 -2.109 -7.873 3.272 775 HD23 LEU 95 3HD2 LEU 95 -1.635 -8.000 1.561 776 H VAL 96 H VAL 96 -1.182 -12.263 0.470 777 HA VAL 96 HA VAL 96 -2.765 -12.500 -1.996 778 HB VAL 96 HB VAL 96 -0.633 -11.724 -3.119 779 HG11 VAL 96 1HG1 VAL 96 -1.594 -9.472 -1.413 780 HG12 VAL 96 2HG1 VAL 96 -1.427 -9.584 -3.181 781 HG13 VAL 96 3HG1 VAL 96 -2.810 -10.355 -2.368 782 HG21 VAL 96 1HG2 VAL 96 0.699 -12.101 -0.917 783 HG22 VAL 96 2HG2 VAL 96 1.084 -10.688 -1.929 784 HG23 VAL 96 3HG2 VAL 96 0.091 -10.490 -0.466 785 H THR 97 H THR 97 -1.993 -14.094 -3.547 786 HA THR 97 HA THR 97 -0.917 -16.403 -2.194 787 HB THR 97 HB THR 97 -1.441 -17.446 -4.454 788 HG1 THR 97 1HG THR 97 -2.358 -15.929 -5.994 789 HG21 THR 97 1HG2 THR 97 -3.855 -15.752 -3.988 790 HG22 THR 97 2HG2 THR 97 -3.711 -17.526 -4.025 791 HG23 THR 97 3HG2 THR 97 -3.276 -16.629 -2.551 792 H SER 98 H SER 98 0.232 -13.840 -4.336 793 HA SER 98 HA SER 98 2.850 -15.056 -4.111 794 HB2 SER 98 1HB SER 98 1.349 -15.006 -6.535 795 HB3 SER 98 2HB SER 98 2.585 -13.776 -6.710 796 HG SER 98 HG SER 98 3.929 -15.766 -5.666 797 H ASP 99 H ASP 99 3.896 -13.512 -2.890 798 HA ASP 99 HA ASP 99 3.126 -10.792 -3.100 799 HB2 ASP 99 1HB ASP 99 5.697 -11.568 -1.760 800 HB3 ASP 99 2HB ASP 99 4.448 -10.470 -1.207 801 HA PRO 100 HA PRO 100 6.268 -9.580 -5.909 802 HB2 PRO 100 1HB PRO 100 6.856 -7.027 -5.131 803 HB3 PRO 100 2HB PRO 100 5.441 -7.438 -6.081 804 HG2 PRO 100 1HG PRO 100 5.609 -6.738 -3.214 805 HG3 PRO 100 2HG PRO 100 4.206 -6.734 -4.265 806 HD2 PRO 100 1HD PRO 100 4.866 -8.708 -2.291 807 HD3 PRO 100 2HD PRO 100 3.528 -8.762 -3.422 808 H GLU 101 H GLU 101 7.464 -7.903 -3.049 809 HA GLU 101 HA GLU 101 10.056 -8.186 -3.517 810 HB2 GLU 101 1HB GLU 101 8.631 -8.463 -0.836 811 HB3 GLU 101 2HB GLU 101 10.360 -8.220 -0.991 812 HG2 GLU 101 1HG GLU 101 9.236 -6.232 -2.654 813 HG3 GLU 101 2HG GLU 101 8.176 -6.269 -1.259 814 H ILE 102 H ILE 102 8.208 -10.567 -1.466 815 HA ILE 102 HA ILE 102 10.263 -12.539 -2.162 816 HB ILE 102 HB ILE 102 8.306 -12.515 0.138 817 HG12 ILE 102 1HG1 ILE 102 11.285 -11.991 0.243 818 HG13 ILE 102 2HG1 ILE 102 10.093 -10.709 0.152 819 HG21 ILE 102 1HG2 ILE 102 8.876 -14.773 -0.476 820 HG22 ILE 102 2HG2 ILE 102 10.608 -14.367 -0.533 821 HG23 ILE 102 3HG2 ILE 102 9.738 -14.341 1.020 822 HD11 ILE 102 1HD1 ILE 102 10.995 -11.790 2.503 823 HD12 ILE 102 2HD1 ILE 102 9.411 -11.000 2.323 824 HD13 ILE 102 3HD1 ILE 102 9.537 -12.773 2.229 825 H ASN 103 H ASN 103 9.417 -14.843 -2.396 826 HA ASN 103 HA ASN 103 6.941 -14.682 -3.920 827 HB2 ASN 103 1HB ASN 103 7.898 -16.950 -4.877 828 HB3 ASN 103 2HB ASN 103 8.601 -15.443 -5.430 829 HD21 ASN 103 1HD2 ASN 103 9.257 -18.452 -4.304 830 HD22 ASN 103 2HD2 ASN 103 10.861 -18.244 -3.684 831 H THR 104 H THR 104 8.984 -16.927 -1.893 832 HA THR 104 HA THR 104 8.431 -18.684 -0.619 833 HB THR 104 HB THR 104 7.840 -16.637 0.762 834 HG1 THR 104 1HG THR 104 6.279 -18.057 2.090 835 HG21 THR 104 1HG2 THR 104 5.889 -15.687 -0.267 836 HG22 THR 104 2HG2 THR 104 5.102 -17.276 -0.420 837 HG23 THR 104 3HG2 THR 104 5.261 -16.512 1.180 838 H LYS 105 H LYS 105 6.009 -19.723 0.366 839 HA LYS 105 HA LYS 105 4.710 -21.416 -0.312 840 HB2 LYS 105 1HB LYS 105 3.435 -19.105 -0.451 841 HB3 LYS 105 2HB LYS 105 3.364 -19.477 -2.161 842 HG2 LYS 105 1HG LYS 105 1.648 -20.904 -1.780 843 HG3 LYS 105 2HG LYS 105 2.695 -21.897 -0.786 844 HD2 LYS 105 1HD LYS 105 2.055 -19.686 0.860 845 HD3 LYS 105 2HD LYS 105 0.556 -20.061 0.033 846 HE2 LYS 105 1HE LYS 105 0.319 -22.100 1.087 847 HE3 LYS 105 2HE LYS 105 2.037 -22.444 1.044 848 HZ1 LYS 105 1HZ LYS 105 0.588 -21.493 3.169 849 HZ2 LYS 105 2HZ LYS 105 2.205 -21.710 3.096 850 HZ3 LYS 105 3HZ LYS 105 1.558 -20.258 2.721 851 H LYS 106 H LYS 106 6.551 -22.543 -1.366 852 HA LYS 106 HA LYS 106 7.313 -22.280 -3.957 853 HB2 LYS 106 1HB LYS 106 7.053 -24.717 -2.190 854 HB3 LYS 106 2HB LYS 106 7.730 -24.811 -3.803 855 HG2 LYS 106 1HG LYS 106 9.718 -24.207 -2.883 856 HG3 LYS 106 2HG LYS 106 9.049 -22.597 -2.707 857 HD2 LYS 106 1HD LYS 106 8.307 -23.055 -0.438 858 HD3 LYS 106 2HD LYS 106 8.630 -24.769 -0.608 859 HE2 LYS 106 1HE LYS 106 11.066 -23.355 -1.238 860 HE3 LYS 106 2HE LYS 106 10.435 -22.686 0.253 861 HZ1 LYS 106 1HZ LYS 106 10.111 -25.181 0.812 862 HZ2 LYS 106 2HZ LYS 106 11.282 -25.403 -0.304 863 HZ3 LYS 106 3HZ LYS 106 11.571 -24.476 1.008 864 H ILE 107 H ILE 107 6.792 -23.778 -5.861 865 HA ILE 107 HA ILE 107 4.274 -23.296 -6.766 866 HB ILE 107 HB ILE 107 6.159 -25.546 -7.474 867 HG12 ILE 107 1HG1 ILE 107 6.050 -23.469 -9.426 868 HG13 ILE 107 2HG1 ILE 107 6.286 -22.709 -7.865 869 HG21 ILE 107 1HG2 ILE 107 4.923 -26.029 -9.358 870 HG22 ILE 107 2HG2 ILE 107 3.643 -25.717 -8.160 871 HG23 ILE 107 3HG2 ILE 107 4.079 -24.462 -9.345 872 HD11 ILE 107 1HD1 ILE 107 8.425 -23.415 -9.064 873 HD12 ILE 107 2HD1 ILE 107 8.256 -24.034 -7.404 874 HD13 ILE 107 3HD1 ILE 107 7.931 -25.103 -8.790 875 H ASN 108 H ASN 108 5.383 -26.596 -5.713 876 HA ASN 108 HA ASN 108 2.701 -27.415 -5.429 877 HB2 ASN 108 1HB ASN 108 5.209 -28.673 -5.651 878 HB3 ASN 108 2HB ASN 108 4.735 -29.036 -4.004 879 HD21 ASN 108 1HD2 ASN 108 4.097 -31.069 -4.056 880 HD22 ASN 108 2HD2 ASN 108 2.876 -31.743 -5.082 881 HA PRO 109 HA PRO 109 2.244 -26.360 -1.196 882 HB2 PRO 109 1HB PRO 109 0.324 -28.126 -0.382 883 HB3 PRO 109 2HB PRO 109 -0.037 -26.662 -1.274 884 HG2 PRO 109 1HG PRO 109 -0.014 -29.458 -2.232 885 HG3 PRO 109 2HG PRO 109 -0.767 -28.054 -2.962 886 HD2 PRO 109 1HD PRO 109 1.671 -29.319 -3.790 887 HD3 PRO 109 2HD PRO 109 0.978 -27.848 -4.444 888 H GLU 110 H GLU 110 2.269 -29.882 -1.521 889 HA GLU 110 HA GLU 110 4.205 -29.836 0.661 890 HB2 GLU 110 1HB GLU 110 2.236 -32.102 0.178 891 HB3 GLU 110 2HB GLU 110 3.250 -31.848 1.584 892 HG2 GLU 110 1HG GLU 110 1.750 -29.453 1.333 893 HG3 GLU 110 2HG GLU 110 0.606 -30.735 0.986 894 H ASN 111 H ASN 111 4.060 -32.982 0.133 895 HA ASN 111 HA ASN 111 5.596 -32.935 -2.331 896 HB2 ASN 111 1HB ASN 111 7.186 -34.618 -1.214 897 HB3 ASN 111 2HB ASN 111 7.316 -32.972 -0.626 898 HD21 ASN 111 1HD2 ASN 111 6.362 -32.390 1.361 899 HD22 ASN 111 2HD2 ASN 111 6.045 -33.556 2.602 900 H SER 112 H SER 112 5.882 -35.309 -3.165 901 HA SER 112 HA SER 112 3.356 -36.588 -2.921 902 HB2 SER 112 1HB SER 112 4.884 -36.333 -5.031 903 HB3 SER 112 2HB SER 112 5.764 -37.707 -4.391 904 HG SER 112 HG SER 112 4.031 -39.042 -4.704 905 H LYS 113 H LYS 113 3.507 -39.205 -2.831 906 HA LYS 113 HA LYS 113 5.524 -40.100 -0.971 907 HB2 LYS 113 1HB LYS 113 2.610 -39.867 -0.192 908 HB3 LYS 113 2HB LYS 113 3.716 -40.968 0.604 909 HG2 LYS 113 1HG LYS 113 5.264 -38.825 0.835 910 HG3 LYS 113 2HG LYS 113 3.780 -37.938 0.548 911 HD2 LYS 113 1HD LYS 113 3.309 -38.170 2.755 912 HD3 LYS 113 2HD LYS 113 3.038 -39.875 2.454 913 HE2 LYS 113 1HE LYS 113 5.393 -40.396 2.944 914 HE3 LYS 113 2HE LYS 113 5.787 -38.693 3.070 915 HZ1 LYS 113 1HZ LYS 113 4.278 -38.549 4.939 916 HZ2 LYS 113 2HZ LYS 113 3.926 -40.140 4.826 917 HZ3 LYS 113 3HZ LYS 113 5.438 -39.664 5.219 918 H LEU 114 H LEU 114 5.027 -42.556 -0.453 919 HA LEU 114 HA LEU 114 3.641 -43.794 -2.694 920 HB2 LEU 114 1HB LEU 114 6.571 -43.858 -2.199 921 HB3 LEU 114 2HB LEU 114 5.804 -45.362 -2.670 922 HG LEU 114 HG LEU 114 5.019 -43.091 -4.359 923 HD11 LEU 114 1HD1 LEU 114 6.995 -42.409 -5.226 924 HD12 LEU 114 2HD1 LEU 114 7.581 -42.829 -3.598 925 HD13 LEU 114 3HD1 LEU 114 7.792 -43.975 -4.944 926 HD21 LEU 114 1HD2 LEU 114 6.023 -45.904 -4.798 927 HD22 LEU 114 2HD2 LEU 114 4.391 -45.247 -5.065 928 HD23 LEU 114 3HD2 LEU 114 5.729 -44.769 -6.137 929 H SER 115 H SER 115 2.081 -44.852 -1.559 930 HA SER 115 HA SER 115 2.905 -46.134 0.903 931 HB2 SER 115 1HB SER 115 0.196 -45.467 -0.305 932 HB3 SER 115 2HB SER 115 0.343 -46.531 1.080 933 HG SER 115 HG SER 115 0.451 -44.777 2.287 934 H ASP 116 H ASP 116 4.143 -47.841 -0.238 935 HA ASP 116 HA ASP 116 2.320 -49.854 -1.288 936 HB2 ASP 116 1HB ASP 116 4.621 -48.588 -2.579 937 HB3 ASP 116 2HB ASP 116 4.892 -50.312 -2.421 938 H LEU 117 H LEU 117 2.359 -50.888 0.842 939 HA LEU 117 HA LEU 117 4.995 -51.965 1.569 940 HB2 LEU 117 1HB LEU 117 2.794 -50.793 3.187 941 HB3 LEU 117 2HB LEU 117 3.637 -52.173 3.862 942 HG LEU 117 HG LEU 117 5.228 -49.851 2.815 943 HD11 LEU 117 1HD1 LEU 117 4.248 -48.424 4.212 944 HD12 LEU 117 2HD1 LEU 117 3.311 -49.716 5.001 945 HD13 LEU 117 3HD1 LEU 117 4.971 -49.365 5.538 946 HD21 LEU 117 1HD2 LEU 117 6.845 -50.554 4.459 947 HD22 LEU 117 2HD2 LEU 117 5.701 -51.737 5.138 948 HD23 LEU 117 3HD2 LEU 117 6.341 -51.961 3.492 949 H ASP 118 H ASP 118 5.204 -54.108 1.236 950 HA ASP 118 HA ASP 118 3.311 -55.929 2.058 951 HB2 ASP 118 1HB ASP 118 2.253 -54.859 -0.124 952 HB3 ASP 118 2HB ASP 118 3.426 -55.846 -0.973 953 H SER 119 H SER 119 4.037 -58.211 1.423 954 HA SER 119 HA SER 119 6.249 -58.599 -0.204 955 HB2 SER 119 1HB SER 119 6.990 -57.496 2.266 956 HB3 SER 119 2HB SER 119 7.258 -59.213 2.495 957 HG SER 119 HG SER 119 8.209 -57.902 0.117 958 H GLU 120 H GLU 120 5.295 -60.489 -0.953 959 HA GLU 120 HA GLU 120 5.193 -62.649 0.936 960 HB2 GLU 120 1HB GLU 120 2.864 -63.310 0.121 961 HB3 GLU 120 2HB GLU 120 2.928 -61.922 1.189 962 HG2 GLU 120 1HG GLU 120 1.875 -60.688 -0.393 963 HG3 GLU 120 2HG GLU 120 3.270 -60.872 -1.437 964 H THR 121 H THR 121 6.485 -64.133 -0.062 965 HA THR 121 HA THR 121 6.146 -64.441 -2.974 966 HB THR 121 HB THR 121 8.343 -63.502 -2.471 967 HG1 THR 121 1HG THR 121 8.540 -66.425 -2.577 968 HG21 THR 121 1HG2 THR 121 8.919 -63.907 -0.225 969 HG22 THR 121 2HG2 THR 121 8.290 -65.572 -0.263 970 HG23 THR 121 3HG2 THR 121 9.851 -65.192 -1.030 971 H ARG 122 H ARG 122 5.922 -66.487 -3.843 972 HA ARG 122 HA ARG 122 6.094 -68.691 -2.010 973 HB2 ARG 122 1HB ARG 122 3.558 -67.488 -2.790 974 HB3 ARG 122 2HB ARG 122 3.646 -69.109 -3.450 975 HG2 ARG 122 1HG ARG 122 4.412 -68.611 -0.556 976 HG3 ARG 122 2HG ARG 122 2.723 -68.752 -1.001 977 HD2 ARG 122 1HD ARG 122 2.881 -71.015 -1.151 978 HD3 ARG 122 2HD ARG 122 4.226 -70.900 -2.269 979 HE ARG 122 HE ARG 122 5.664 -71.390 -0.502 980 HH11 ARG 122 2HH2 ARG 122 2.691 -70.046 0.818 981 HH12 ARG 122 1HH2 ARG 122 3.167 -70.279 2.467 982 HH21 ARG 122 2HH1 ARG 122 6.292 -71.698 1.674 983 HH22 ARG 122 1HH1 ARG 122 5.229 -71.225 2.957 984 H SER 123 H SER 123 6.508 -70.693 -3.105 985 HA SER 123 HA SER 123 6.398 -70.578 -5.999 986 HB2 SER 123 1HB SER 123 8.678 -71.514 -6.194 987 HB3 SER 123 2HB SER 123 8.707 -69.948 -5.408 988 HG SER 123 HG SER 123 8.871 -72.537 -4.120 989 H MET 124 H MET 124 6.642 -72.838 -6.976 990 HA MET 124 HA MET 124 6.613 -75.087 -5.363 991 HB2 MET 124 1HB MET 124 4.135 -73.681 -5.350 992 HB3 MET 124 2HB MET 124 3.878 -75.007 -6.467 993 HG2 MET 124 1HG MET 124 5.299 -75.818 -3.988 994 HG3 MET 124 2HG MET 124 3.693 -75.183 -3.692 995 HE1 MET 124 1HE MET 124 3.747 -78.614 -3.123 996 HE2 MET 124 2HE MET 124 3.020 -77.042 -2.711 997 HE3 MET 124 3HE MET 124 2.063 -78.265 -3.580 998 H VAL 125 H VAL 125 6.033 -77.108 -6.659 999 HA VAL 125 HA VAL 125 5.504 -76.890 -9.413 1000 HB VAL 125 HB VAL 125 7.777 -75.922 -9.383 1001 HG11 VAL 125 1HG1 VAL 125 9.110 -78.511 -8.900 1002 HG12 VAL 125 2HG1 VAL 125 9.566 -76.868 -8.389 1003 HG13 VAL 125 3HG1 VAL 125 8.355 -77.784 -7.461 1004 HG21 VAL 125 1HG2 VAL 125 7.401 -78.594 -10.767 1005 HG22 VAL 125 2HG2 VAL 125 7.066 -76.969 -11.412 1006 HG23 VAL 125 3HG2 VAL 125 8.745 -77.481 -11.118 1007 H SER 126 H SER 126 4.456 -78.759 -9.839 1008 HA SER 126 HA SER 126 5.563 -81.186 -8.763 1009 HB2 SER 126 1HB SER 126 3.502 -79.949 -7.368 1010 HB3 SER 126 2HB SER 126 2.624 -81.061 -8.399 1011 HG SER 126 HG SER 126 3.110 -82.282 -6.613 1012 H GLY 127 H GLY 127 4.580 -83.143 -9.834 1013 HA2 GLY 127 1HA GLY 127 3.223 -82.451 -12.369 1014 HA3 GLY 127 2HA GLY 127 4.598 -83.536 -12.311 1015 HA PRO 128 HA PRO 128 0.562 -85.669 -11.164 1016 HB2 PRO 128 1HB PRO 128 -0.747 -86.097 -13.525 1017 HB3 PRO 128 2HB PRO 128 -1.163 -84.802 -12.420 1018 HG2 PRO 128 1HG PRO 128 0.284 -84.649 -14.993 1019 HG3 PRO 128 2HG PRO 128 -0.504 -83.365 -14.099 1020 HD2 PRO 128 1HD PRO 128 2.315 -83.872 -14.248 1021 HD3 PRO 128 2HD PRO 128 1.519 -82.661 -13.263 1022 H SER 129 H SER 129 -0.395 -87.875 -12.331 1023 HA SER 129 HA SER 129 1.705 -89.190 -13.695 1024 HB2 SER 129 1HB SER 129 2.063 -89.174 -10.973 1025 HB3 SER 129 2HB SER 129 1.095 -90.624 -11.151 1026 HG SER 129 HG SER 129 3.604 -90.682 -11.378 1027 H SER 130 H SER 130 1.049 -91.516 -14.212 1028 HA SER 130 HA SER 130 -1.749 -92.020 -13.706 1029 HB2 SER 130 1HB SER 130 -0.619 -91.214 -16.308 1030 HB3 SER 130 2HB SER 130 -1.476 -92.739 -16.400 1031 HG SER 130 HG SER 130 -2.670 -90.506 -15.041 1032 H GLY 131 H GLY 131 -2.310 -94.333 -14.692 1033 HA2 GLY 131 1HA GLY 131 0.024 -96.072 -14.166 1034 HA3 GLY 131 2HA GLY 131 -1.638 -96.459 -13.764 Start of MODEL 19 1 H1 GLY 1 H GLY 1 23.734 -3.200 -1.144 2 HA2 GLY 1 1HA GLY 1 21.983 -3.945 -3.397 3 HA3 GLY 1 2HA GLY 1 23.200 -5.061 -2.809 4 H SER 2 H SER 2 20.925 -6.247 -2.576 5 HA SER 2 HA SER 2 20.321 -6.046 0.231 6 HB2 SER 2 1HB SER 2 18.640 -4.588 -0.950 7 HB3 SER 2 2HB SER 2 18.122 -5.978 -1.883 8 HG SER 2 HG SER 2 16.743 -5.659 -0.048 9 H SER 3 H SER 3 18.776 -7.994 0.846 10 HA SER 3 HA SER 3 19.736 -10.255 -0.708 11 HB2 SER 3 1HB SER 3 19.178 -11.582 1.372 12 HB3 SER 3 2HB SER 3 20.433 -10.380 1.597 13 HG SER 3 HG SER 3 17.796 -10.463 2.634 14 H GLY 4 H GLY 4 18.092 -12.252 -0.506 15 HA2 GLY 4 1HA GLY 4 15.399 -11.194 -1.127 16 HA3 GLY 4 2HA GLY 4 16.145 -12.565 -1.923 17 H SER 5 H SER 5 13.575 -12.536 -0.499 18 HA SER 5 HA SER 5 13.834 -14.902 0.870 19 HB2 SER 5 1HB SER 5 14.215 -12.479 2.541 20 HB3 SER 5 2HB SER 5 12.990 -13.572 3.153 21 HG SER 5 HG SER 5 15.648 -13.813 3.390 22 H SER 6 H SER 6 11.638 -14.866 2.607 23 HA SER 6 HA SER 6 9.553 -14.024 0.762 24 HB2 SER 6 1HB SER 6 9.838 -16.288 2.722 25 HB3 SER 6 2HB SER 6 8.225 -15.666 2.438 26 HG SER 6 HG SER 6 9.069 -17.481 1.002 27 H GLY 7 H GLY 7 8.368 -12.241 1.336 28 HA2 GLY 7 1HA GLY 7 7.320 -11.843 3.920 29 HA3 GLY 7 2HA GLY 7 8.752 -10.851 3.730 30 HA PRO 8 HA PRO 8 5.043 -9.156 1.371 31 HB2 PRO 8 1HB PRO 8 3.407 -8.029 3.248 32 HB3 PRO 8 2HB PRO 8 3.102 -9.597 2.529 33 HG2 PRO 8 1HG PRO 8 4.122 -8.964 5.230 34 HG3 PRO 8 2HG PRO 8 3.417 -10.458 4.645 35 HD2 PRO 8 1HD PRO 8 6.201 -9.935 5.095 36 HD3 PRO 8 2HD PRO 8 5.506 -11.386 4.401 37 H ASN 9 H ASN 9 6.785 -7.974 4.110 38 HA ASN 9 HA ASN 9 8.074 -6.205 4.229 39 HB2 ASN 9 1HB ASN 9 7.735 -6.275 1.480 40 HB3 ASN 9 2HB ASN 9 7.022 -4.718 1.852 41 HD21 ASN 9 1HD2 ASN 9 9.747 -6.118 0.888 42 HD22 ASN 9 2HD2 ASN 9 10.958 -5.058 1.526 43 H TYR 10 H TYR 10 5.002 -6.531 4.775 44 HA TYR 10 HA TYR 10 4.635 -3.916 5.871 45 HB2 TYR 10 1HB TYR 10 2.443 -3.639 4.556 46 HB3 TYR 10 2HB TYR 10 3.870 -3.525 3.545 47 HD1 TYR 10 1HD TYR 10 1.231 -5.919 4.666 48 HD2 TYR 10 2HD TYR 10 4.133 -4.939 1.679 49 HE1 TYR 10 1HE TYR 10 0.328 -7.768 3.171 50 HE2 TYR 10 2HE TYR 10 3.220 -6.790 0.195 51 HH TYR 10 HH TYR 10 1.042 -9.143 1.382 52 H ARG 11 H ARG 11 2.472 -3.800 7.074 53 HA ARG 11 HA ARG 11 1.989 -6.455 8.128 54 HB2 ARG 11 1HB ARG 11 1.219 -5.358 10.154 55 HB3 ARG 11 2HB ARG 11 2.704 -4.560 9.675 56 HG2 ARG 11 1HG ARG 11 1.429 -2.718 8.630 57 HG3 ARG 11 2HG ARG 11 -0.085 -3.538 8.958 58 HD2 ARG 11 1HD ARG 11 -0.030 -3.044 11.238 59 HD3 ARG 11 2HD ARG 11 1.721 -3.060 11.315 60 HE ARG 11 HE ARG 11 1.778 -0.795 10.606 61 HH11 ARG 11 2HH2 ARG 11 -1.497 -2.072 10.461 62 HH12 ARG 11 1HH2 ARG 11 -2.231 -0.517 10.256 63 HH21 ARG 11 2HH1 ARG 11 0.811 1.257 10.336 64 HH22 ARG 11 1HH1 ARG 11 -0.910 1.390 10.185 65 H TRP 12 H TRP 12 -0.285 -7.099 8.629 66 HA TRP 12 HA TRP 12 -2.401 -5.508 7.520 67 HB2 TRP 12 1HB TRP 12 -3.091 -6.905 5.781 68 HB3 TRP 12 2HB TRP 12 -1.376 -6.652 5.527 69 HD1 TRP 12 HD TRP 12 0.256 -8.829 6.035 70 HE1 TRP 12 1HE TRP 12 -0.145 -11.437 6.016 71 HE3 TRP 12 3HE TRP 12 -4.816 -8.579 6.304 72 HZ2 TRP 12 2HZ TRP 12 -2.486 -13.066 6.114 73 HZ3 TRP 12 3HZ TRP 12 -6.084 -10.725 6.338 74 HH2 TRP 12 HH TRP 12 -5.000 -12.914 6.248 75 H THR 13 H THR 13 -4.517 -6.444 8.139 76 HA THR 13 HA THR 13 -4.424 -8.768 9.877 77 HB THR 13 HB THR 13 -4.791 -7.631 11.862 78 HG1 THR 13 1HG THR 13 -6.562 -6.304 11.775 79 HG21 THR 13 1HG2 THR 13 -3.825 -5.318 11.918 80 HG22 THR 13 2HG2 THR 13 -2.759 -6.440 11.038 81 HG23 THR 13 3HG2 THR 13 -3.791 -5.302 10.139 82 H GLN 14 H GLN 14 -7.037 -8.217 11.030 83 HA GLN 14 HA GLN 14 -8.944 -7.478 9.282 84 HB2 GLN 14 1HB GLN 14 -9.707 -9.805 8.419 85 HB3 GLN 14 2HB GLN 14 -8.379 -9.020 7.587 86 HG2 GLN 14 1HG GLN 14 -6.744 -10.350 8.933 87 HG3 GLN 14 2HG GLN 14 -8.068 -11.131 9.775 88 HE21 GLN 14 1HE2 GLN 14 -6.159 -12.548 8.397 89 HE22 GLN 14 2HE2 GLN 14 -6.854 -13.325 7.014 90 H THR 15 H THR 15 -11.120 -8.973 9.718 91 HA THR 15 HA THR 15 -11.029 -10.007 12.443 92 HB THR 15 HB THR 15 -12.599 -8.422 13.284 93 HG1 THR 15 1HG THR 15 -12.923 -7.939 10.412 94 HG21 THR 15 1HG2 THR 15 -11.277 -6.617 11.228 95 HG22 THR 15 2HG2 THR 15 -11.657 -6.270 12.931 96 HG23 THR 15 3HG2 THR 15 -10.298 -7.345 12.524 97 H LEU 16 H LEU 16 -11.143 -11.605 10.246 98 HA LEU 16 HA LEU 16 -12.389 -13.050 9.107 99 HB2 LEU 16 1HB LEU 16 -13.808 -13.001 11.769 100 HB3 LEU 16 2HB LEU 16 -14.160 -14.174 10.515 101 HG LEU 16 HG LEU 16 -12.353 -14.512 12.532 102 HD11 LEU 16 1HD1 LEU 16 -11.778 -16.537 11.488 103 HD12 LEU 16 2HD1 LEU 16 -13.419 -16.165 10.907 104 HD13 LEU 16 3HD1 LEU 16 -12.014 -15.867 9.856 105 HD21 LEU 16 1HD2 LEU 16 -10.100 -14.500 11.509 106 HD22 LEU 16 2HD2 LEU 16 -10.772 -13.657 10.093 107 HD23 LEU 16 3HD2 LEU 16 -10.793 -12.870 11.689 108 H ALA 17 H ALA 17 -13.075 -10.141 8.831 109 HA ALA 17 HA ALA 17 -15.621 -10.585 7.522 110 HB1 ALA 17 1HB ALA 17 -16.888 -9.358 8.922 111 HB2 ALA 17 2HB ALA 17 -15.542 -9.438 10.084 112 HB3 ALA 17 3HB ALA 17 -15.678 -8.053 8.974 113 H GLU 18 H GLU 18 -13.417 -7.867 8.528 114 HA GLU 18 HA GLU 18 -13.298 -7.187 5.695 115 HB2 GLU 18 1HB GLU 18 -12.885 -4.879 6.371 116 HB3 GLU 18 2HB GLU 18 -14.328 -5.459 7.177 117 HG2 GLU 18 1HG GLU 18 -13.188 -4.452 8.960 118 HG3 GLU 18 2HG GLU 18 -12.681 -6.120 9.133 119 H LEU 19 H LEU 19 -11.147 -6.070 5.047 120 HA LEU 19 HA LEU 19 -8.981 -7.596 6.297 121 HB2 LEU 19 1HB LEU 19 -9.775 -7.146 3.595 122 HB3 LEU 19 2HB LEU 19 -8.206 -6.402 3.832 123 HG LEU 19 HG LEU 19 -7.871 -8.625 3.027 124 HD11 LEU 19 1HD1 LEU 19 -7.276 -8.614 5.999 125 HD12 LEU 19 2HD1 LEU 19 -6.458 -9.579 4.746 126 HD13 LEU 19 3HD1 LEU 19 -6.301 -7.806 4.748 127 HD21 LEU 19 1HD2 LEU 19 -9.186 -10.359 3.476 128 HD22 LEU 19 2HD2 LEU 19 -8.928 -10.191 5.229 129 HD23 LEU 19 3HD2 LEU 19 -10.207 -9.251 4.423 130 H ASP 20 H ASP 20 -6.852 -6.491 6.500 131 HA ASP 20 HA ASP 20 -7.098 -3.612 6.611 132 HB2 ASP 20 1HB ASP 20 -6.113 -5.355 8.920 133 HB3 ASP 20 2HB ASP 20 -5.991 -3.607 8.876 134 H LEU 21 H LEU 21 -5.246 -2.764 5.636 135 HA LEU 21 HA LEU 21 -2.771 -4.304 5.883 136 HB2 LEU 21 1HB LEU 21 -3.522 -4.998 3.782 137 HB3 LEU 21 2HB LEU 21 -4.124 -3.408 3.358 138 HG LEU 21 HG LEU 21 -2.062 -4.116 2.137 139 HD11 LEU 21 1HD1 LEU 21 -2.815 -1.649 2.924 140 HD12 LEU 21 2HD1 LEU 21 -1.187 -1.718 3.641 141 HD13 LEU 21 3HD1 LEU 21 -1.401 -1.972 1.893 142 HD21 LEU 21 1HD2 LEU 21 -0.107 -3.448 4.108 143 HD22 LEU 21 2HD2 LEU 21 -1.150 -4.737 4.757 144 HD23 LEU 21 3HD2 LEU 21 -0.315 -4.966 3.202 145 H ALA 22 H ALA 22 -0.854 -3.026 5.872 146 HA ALA 22 HA ALA 22 -1.226 -0.147 5.693 147 HB1 ALA 22 1HB ALA 22 -1.682 -0.723 8.059 148 HB2 ALA 22 2HB ALA 22 -0.106 -1.543 8.157 149 HB3 ALA 22 3HB ALA 22 -0.179 0.215 7.890 150 H VAL 23 H VAL 23 0.500 0.788 4.676 151 HA VAL 23 HA VAL 23 2.968 -0.800 4.577 152 HB VAL 23 HB VAL 23 1.350 0.428 2.379 153 HG11 VAL 23 1HG1 VAL 23 3.558 1.536 2.257 154 HG12 VAL 23 2HG1 VAL 23 4.344 -0.061 2.215 155 HG13 VAL 23 3HG1 VAL 23 3.276 0.441 0.882 156 HG21 VAL 23 1HG2 VAL 23 1.864 -2.172 3.204 157 HG22 VAL 23 2HG2 VAL 23 1.211 -1.677 1.624 158 HG23 VAL 23 3HG2 VAL 23 2.959 -1.950 1.818 159 HA PRO 24 HA PRO 24 4.156 3.153 6.170 160 HB2 PRO 24 1HB PRO 24 6.356 2.282 7.536 161 HB3 PRO 24 2HB PRO 24 4.753 2.341 8.240 162 HG2 PRO 24 1HG PRO 24 6.277 -0.010 7.297 163 HG3 PRO 24 2HG PRO 24 4.892 0.042 8.369 164 HD2 PRO 24 1HD PRO 24 4.893 -0.713 5.601 165 HD3 PRO 24 2HD PRO 24 3.493 -0.549 6.642 166 H PHE 25 H PHE 25 4.990 4.642 4.864 167 HA PHE 25 HA PHE 25 7.204 3.691 3.210 168 HB2 PHE 25 1HB PHE 25 5.199 6.017 3.127 169 HB3 PHE 25 2HB PHE 25 6.556 5.946 2.021 170 HD1 PHE 25 2HD PHE 25 6.432 2.850 1.717 171 HD2 PHE 25 1HD PHE 25 3.519 5.922 1.422 172 HE1 PHE 25 2HE PHE 25 5.083 1.421 0.155 173 HE2 PHE 25 1HE PHE 25 2.171 4.493 -0.140 174 HZ PHE 25 HZ PHE 25 2.969 2.260 -0.755 175 H ARG 26 H ARG 26 9.243 4.256 3.787 176 HA ARG 26 HA ARG 26 9.706 5.992 5.891 177 HB2 ARG 26 1HB ARG 26 11.198 4.157 4.360 178 HB3 ARG 26 2HB ARG 26 11.987 5.688 4.033 179 HG2 ARG 26 1HG ARG 26 11.288 5.016 6.896 180 HG3 ARG 26 2HG ARG 26 12.660 4.209 6.163 181 HD2 ARG 26 1HD ARG 26 13.949 6.104 6.194 182 HD3 ARG 26 2HD ARG 26 12.639 7.119 5.625 183 HE ARG 26 HE ARG 26 12.302 7.763 7.835 184 HH11 ARG 26 2HH2 ARG 26 13.672 4.521 7.827 185 HH12 ARG 26 1HH2 ARG 26 13.728 4.403 9.555 186 HH21 ARG 26 2HH1 ARG 26 12.375 7.607 10.114 187 HH22 ARG 26 1HH1 ARG 26 12.985 6.170 10.864 188 H VAL 27 H VAL 27 8.657 8.030 5.398 189 HA VAL 27 HA VAL 27 10.159 9.618 3.444 190 HB VAL 27 HB VAL 27 7.942 10.778 2.998 191 HG11 VAL 27 1HG1 VAL 27 7.249 9.050 1.321 192 HG12 VAL 27 2HG1 VAL 27 8.988 9.427 1.300 193 HG13 VAL 27 3HG1 VAL 27 8.411 7.927 2.067 194 HG21 VAL 27 1HG2 VAL 27 6.369 8.376 3.473 195 HG22 VAL 27 2HG2 VAL 27 7.023 9.041 4.989 196 HG23 VAL 27 3HG2 VAL 27 6.034 10.066 3.921 197 H SER 28 H SER 28 9.248 12.103 3.885 198 HA SER 28 HA SER 28 9.398 12.398 6.782 199 HB2 SER 28 1HB SER 28 11.166 13.456 4.679 200 HB3 SER 28 2HB SER 28 10.530 14.730 5.701 201 HG SER 28 HG SER 28 12.224 12.535 6.378 202 H PHE 29 H PHE 29 7.438 12.649 4.158 203 HA PHE 29 HA PHE 29 6.149 15.071 5.203 204 HB2 PHE 29 1HB PHE 29 5.299 15.119 2.692 205 HB3 PHE 29 2HB PHE 29 6.938 15.652 3.010 206 HD1 PHE 29 1HD PHE 29 8.791 13.821 2.805 207 HD2 PHE 29 2HD PHE 29 4.923 13.482 1.091 208 HE1 PHE 29 1HE PHE 29 9.660 12.117 1.180 209 HE2 PHE 29 2HE PHE 29 5.793 11.778 -0.534 210 HZ PHE 29 HZ PHE 29 8.151 11.116 -0.470 211 H ARG 30 H ARG 30 3.718 15.060 4.156 212 HA ARG 30 HA ARG 30 2.669 12.535 5.089 213 HB2 ARG 30 1HB ARG 30 1.564 15.341 4.803 214 HB3 ARG 30 2HB ARG 30 0.436 14.000 4.839 215 HG2 ARG 30 1HG ARG 30 0.574 14.066 7.104 216 HG3 ARG 30 2HG ARG 30 2.197 13.421 6.952 217 HD2 ARG 30 1HD ARG 30 3.164 15.415 7.519 218 HD3 ARG 30 2HD ARG 30 2.119 16.328 6.449 219 HE ARG 30 HE ARG 30 0.543 15.449 8.658 220 HH11 ARG 30 2HH2 ARG 30 3.208 17.647 7.989 221 HH12 ARG 30 1HH2 ARG 30 2.820 18.718 9.294 222 HH21 ARG 30 2HH1 ARG 30 0.031 16.861 10.380 223 HH22 ARG 30 1HH1 ARG 30 1.001 18.267 10.664 224 H LEU 31 H LEU 31 2.523 11.058 3.399 225 HA LEU 31 HA LEU 31 2.345 11.669 0.732 226 HB2 LEU 31 1HB LEU 31 1.513 9.263 2.334 227 HB3 LEU 31 2HB LEU 31 1.333 9.314 0.592 228 HG LEU 31 HG LEU 31 3.402 8.168 1.461 229 HD11 LEU 31 1HD1 LEU 31 2.993 9.463 -0.849 230 HD12 LEU 31 2HD1 LEU 31 4.383 10.396 -0.244 231 HD13 LEU 31 3HD1 LEU 31 4.517 8.634 -0.455 232 HD21 LEU 31 1HD2 LEU 31 5.310 9.611 2.108 233 HD22 LEU 31 2HD2 LEU 31 4.203 11.003 2.170 234 HD23 LEU 31 3HD2 LEU 31 3.977 9.636 3.288 235 H LYS 32 H LYS 32 0.816 12.582 -0.527 236 HA LYS 32 HA LYS 32 -1.819 12.941 0.642 237 HB2 LYS 32 1HB LYS 32 -0.312 14.207 -1.640 238 HB3 LYS 32 2HB LYS 32 -2.049 14.392 -1.506 239 HG2 LYS 32 1HG LYS 32 -0.167 14.995 0.816 240 HG3 LYS 32 2HG LYS 32 -0.600 16.207 -0.374 241 HD2 LYS 32 1HD LYS 32 -2.837 16.307 0.323 242 HD3 LYS 32 2HD LYS 32 -2.841 14.660 0.922 243 HE2 LYS 32 1HE LYS 32 -1.836 15.242 2.962 244 HE3 LYS 32 2HE LYS 32 -1.023 16.642 2.290 245 HZ1 LYS 32 1HZ LYS 32 -2.937 17.876 2.393 246 HZ2 LYS 32 2HZ LYS 32 -3.936 16.585 2.427 247 HZ3 LYS 32 3HZ LYS 32 -3.064 16.978 3.751 248 H GLY 33 H GLY 33 -3.739 12.712 -0.944 249 HA2 GLY 33 1HA GLY 33 -3.686 10.003 -1.931 250 HA3 GLY 33 2HA GLY 33 -5.053 11.098 -1.867 251 H LYS 34 H LYS 34 -1.789 11.459 -3.418 252 HA LYS 34 HA LYS 34 -3.101 11.430 -6.020 253 HB2 LYS 34 1HB LYS 34 -2.083 13.517 -6.706 254 HB3 LYS 34 2HB LYS 34 -3.108 13.783 -5.310 255 HG2 LYS 34 1HG LYS 34 -0.857 13.376 -3.942 256 HG3 LYS 34 2HG LYS 34 -0.085 13.774 -5.464 257 HD2 LYS 34 1HD LYS 34 -2.261 15.569 -4.338 258 HD3 LYS 34 2HD LYS 34 -0.615 15.705 -3.753 259 HE2 LYS 34 1HE LYS 34 0.025 16.847 -5.610 260 HE3 LYS 34 2HE LYS 34 -0.595 15.591 -6.663 261 HZ1 LYS 34 1HZ LYS 34 -1.745 18.071 -6.024 262 HZ2 LYS 34 2HZ LYS 34 -2.181 17.006 -7.182 263 HZ3 LYS 34 3HZ LYS 34 -2.794 16.869 -5.674 264 H ASP 35 H ASP 35 -0.053 11.617 -4.089 265 HA ASP 35 HA ASP 35 1.349 10.408 -6.291 266 HB2 ASP 35 1HB ASP 35 2.231 11.346 -3.523 267 HB3 ASP 35 2HB ASP 35 3.327 10.614 -4.677 268 H VAL 36 H VAL 36 -0.778 8.851 -5.002 269 HA VAL 36 HA VAL 36 0.858 6.735 -3.789 270 HB VAL 36 HB VAL 36 -1.986 7.397 -3.024 271 HG11 VAL 36 1HG1 VAL 36 -1.188 6.049 -0.947 272 HG12 VAL 36 2HG1 VAL 36 -1.598 5.173 -2.441 273 HG13 VAL 36 3HG1 VAL 36 0.107 5.472 -2.024 274 HG21 VAL 36 1HG2 VAL 36 0.357 8.025 -1.247 275 HG22 VAL 36 2HG2 VAL 36 -0.138 9.184 -2.504 276 HG23 VAL 36 3HG2 VAL 36 -1.291 8.699 -1.238 277 H VAL 37 H VAL 37 -0.383 4.543 -3.938 278 HA VAL 37 HA VAL 37 -2.106 4.428 -6.271 279 HB VAL 37 HB VAL 37 0.590 3.079 -6.073 280 HG11 VAL 37 1HG1 VAL 37 -1.301 2.641 -8.370 281 HG12 VAL 37 2HG1 VAL 37 0.066 1.645 -7.817 282 HG13 VAL 37 3HG1 VAL 37 -1.455 1.659 -6.894 283 HG21 VAL 37 1HG2 VAL 37 -0.616 5.116 -7.959 284 HG22 VAL 37 2HG2 VAL 37 0.864 5.247 -6.978 285 HG23 VAL 37 3HG2 VAL 37 0.821 4.154 -8.383 286 H VAL 38 H VAL 38 -3.802 3.158 -5.740 287 HA VAL 38 HA VAL 38 -3.289 0.793 -4.133 288 HB VAL 38 HB VAL 38 -5.064 3.090 -3.325 289 HG11 VAL 38 1HG1 VAL 38 -6.607 1.436 -2.947 290 HG12 VAL 38 2HG1 VAL 38 -5.371 0.170 -2.748 291 HG13 VAL 38 3HG1 VAL 38 -5.680 1.328 -1.431 292 HG21 VAL 38 1HG2 VAL 38 -2.976 3.359 -2.320 293 HG22 VAL 38 2HG2 VAL 38 -3.907 2.491 -1.075 294 HG23 VAL 38 3HG2 VAL 38 -2.744 1.609 -2.095 295 H ASP 39 H ASP 39 -3.771 -0.471 -5.958 296 HA ASP 39 HA ASP 39 -6.246 0.071 -7.308 297 HB2 ASP 39 1HB ASP 39 -4.710 -0.638 -8.892 298 HB3 ASP 39 2HB ASP 39 -3.828 -1.631 -7.749 299 H ILE 40 H ILE 40 -7.806 -0.475 -5.617 300 HA ILE 40 HA ILE 40 -7.636 -3.089 -4.408 301 HB ILE 40 HB ILE 40 -9.481 -0.731 -4.119 302 HG12 ILE 40 1HG1 ILE 40 -7.695 -2.080 -2.080 303 HG13 ILE 40 2HG1 ILE 40 -7.165 -0.746 -3.086 304 HG21 ILE 40 1HG2 ILE 40 -10.125 -3.486 -3.628 305 HG22 ILE 40 2HG2 ILE 40 -10.034 -2.609 -2.082 306 HG23 ILE 40 3HG2 ILE 40 -11.115 -2.029 -3.373 307 HD11 ILE 40 1HD1 ILE 40 -7.951 0.502 -1.317 308 HD12 ILE 40 2HD1 ILE 40 -9.501 0.313 -2.171 309 HD13 ILE 40 3HD1 ILE 40 -9.101 -0.757 -0.807 310 H GLN 41 H GLN 41 -7.833 -4.540 -6.168 311 HA GLN 41 HA GLN 41 -10.242 -4.274 -7.740 312 HB2 GLN 41 1HB GLN 41 -7.604 -5.578 -8.071 313 HB3 GLN 41 2HB GLN 41 -8.940 -6.562 -8.634 314 HG2 GLN 41 1HG GLN 41 -8.625 -3.633 -9.422 315 HG3 GLN 41 2HG GLN 41 -7.909 -4.936 -10.350 316 HE21 GLN 41 1HE2 GLN 41 -9.063 -5.891 -11.856 317 HE22 GLN 41 2HE2 GLN 41 -10.777 -5.779 -12.079 318 H ARG 42 H ARG 42 -11.360 -6.532 -8.255 319 HA ARG 42 HA ARG 42 -12.628 -7.338 -6.028 320 HB2 ARG 42 1HB ARG 42 -13.292 -7.842 -8.414 321 HB3 ARG 42 2HB ARG 42 -12.044 -9.071 -8.484 322 HG2 ARG 42 1HG ARG 42 -14.105 -10.218 -7.975 323 HG3 ARG 42 2HG ARG 42 -13.160 -10.217 -6.499 324 HD2 ARG 42 1HD ARG 42 -14.623 -8.811 -5.397 325 HD3 ARG 42 2HD ARG 42 -14.938 -7.844 -6.824 326 HE ARG 42 HE ARG 42 -16.505 -10.093 -5.903 327 HH11 ARG 42 2HH2 ARG 42 -15.416 -8.485 -8.838 328 HH12 ARG 42 1HH2 ARG 42 -16.757 -9.032 -9.788 329 HH21 ARG 42 2HH1 ARG 42 -18.274 -10.816 -7.156 330 HH22 ARG 42 1HH1 ARG 42 -18.393 -10.367 -8.825 331 H ARG 43 H ARG 43 -9.747 -8.867 -7.616 332 HA ARG 43 HA ARG 43 -9.155 -10.071 -5.057 333 HB2 ARG 43 1HB ARG 43 -10.314 -11.641 -6.946 334 HB3 ARG 43 2HB ARG 43 -8.657 -11.758 -7.506 335 HG2 ARG 43 1HG ARG 43 -7.902 -12.739 -5.465 336 HG3 ARG 43 2HG ARG 43 -9.308 -12.194 -4.573 337 HD2 ARG 43 1HD ARG 43 -10.601 -13.976 -5.254 338 HD3 ARG 43 2HD ARG 43 -9.953 -13.960 -6.882 339 HE ARG 43 HE ARG 43 -8.025 -14.860 -4.858 340 HH11 ARG 43 2HH2 ARG 43 -10.573 -15.848 -7.075 341 HH12 ARG 43 1HH2 ARG 43 -10.041 -17.494 -7.155 342 HH21 ARG 43 2HH1 ARG 43 -7.322 -17.032 -4.963 343 HH22 ARG 43 1HH1 ARG 43 -8.180 -18.172 -5.946 344 H HIS 44 H HIS 44 -7.897 -7.805 -5.843 345 HA HIS 44 HA HIS 44 -5.228 -8.683 -6.220 346 HB2 HIS 44 1HB HIS 44 -6.570 -8.314 -8.586 347 HB3 HIS 44 2HB HIS 44 -5.868 -6.728 -8.335 348 HD1 HIS 44 1HD HIS 44 -3.136 -6.781 -7.840 349 HD2 HIS 44 2HD HIS 44 -4.846 -10.135 -9.691 350 HE1 HIS 44 1HE HIS 44 -1.212 -8.056 -8.929 351 H LEU 45 H LEU 45 -3.845 -7.249 -5.218 352 HA LEU 45 HA LEU 45 -4.925 -4.580 -4.672 353 HB2 LEU 45 1HB LEU 45 -5.198 -6.236 -2.759 354 HB3 LEU 45 2HB LEU 45 -3.451 -6.227 -2.625 355 HG LEU 45 HG LEU 45 -3.448 -3.848 -2.118 356 HD11 LEU 45 1HD1 LEU 45 -5.081 -2.625 -3.033 357 HD12 LEU 45 2HD1 LEU 45 -6.207 -4.002 -3.102 358 HD13 LEU 45 3HD1 LEU 45 -6.028 -3.073 -1.594 359 HD21 LEU 45 1HD2 LEU 45 -3.600 -4.582 -0.027 360 HD22 LEU 45 2HD2 LEU 45 -5.346 -4.246 -0.103 361 HD23 LEU 45 3HD2 LEU 45 -4.735 -5.872 -0.494 362 H ARG 46 H ARG 46 -3.634 -3.242 -5.826 363 HA ARG 46 HA ARG 46 -0.798 -3.895 -5.786 364 HB2 ARG 46 1HB ARG 46 -2.300 -3.672 -8.019 365 HB3 ARG 46 2HB ARG 46 -1.961 -1.966 -7.800 366 HG2 ARG 46 1HG ARG 46 0.505 -2.503 -7.691 367 HG3 ARG 46 2HG ARG 46 0.129 -4.186 -8.002 368 HD2 ARG 46 1HD ARG 46 -0.805 -1.983 -9.888 369 HD3 ARG 46 2HD ARG 46 0.788 -2.697 -10.039 370 HE ARG 46 HE ARG 46 -1.692 -3.904 -10.862 371 HH11 ARG 46 2HH2 ARG 46 1.400 -4.725 -9.396 372 HH12 ARG 46 1HH2 ARG 46 1.381 -6.360 -9.967 373 HH21 ARG 46 2HH1 ARG 46 -1.718 -6.061 -11.615 374 HH22 ARG 46 1HH1 ARG 46 -0.404 -7.125 -11.237 375 H VAL 47 H VAL 47 -0.175 -2.725 -3.913 376 HA VAL 47 HA VAL 47 -0.891 0.118 -3.889 377 HB VAL 47 HB VAL 47 0.244 -1.574 -1.659 378 HG11 VAL 47 1HG1 VAL 47 0.625 0.596 -0.991 379 HG12 VAL 47 2HG1 VAL 47 -0.766 1.239 -1.896 380 HG13 VAL 47 3HG1 VAL 47 -1.027 0.359 -0.372 381 HG21 VAL 47 1HG2 VAL 47 -2.669 -0.841 -2.093 382 HG22 VAL 47 2HG2 VAL 47 -1.965 -2.430 -2.477 383 HG23 VAL 47 3HG2 VAL 47 -1.986 -1.850 -0.795 384 H GLY 48 H GLY 48 0.911 1.587 -3.008 385 HA2 GLY 48 1HA GLY 48 3.494 1.268 -2.764 386 HA3 GLY 48 2HA GLY 48 3.360 0.929 -4.478 387 H LEU 49 H LEU 49 4.867 3.125 -3.498 388 HA LEU 49 HA LEU 49 3.259 5.487 -3.630 389 HB2 LEU 49 1HB LEU 49 6.218 4.948 -3.482 390 HB3 LEU 49 2HB LEU 49 5.572 6.566 -3.675 391 HG LEU 49 HG LEU 49 5.060 4.692 -1.349 392 HD11 LEU 49 1HD1 LEU 49 7.281 6.221 -1.827 393 HD12 LEU 49 2HD1 LEU 49 6.277 7.319 -0.849 394 HD13 LEU 49 3HD1 LEU 49 6.705 5.710 -0.222 395 HD21 LEU 49 1HD2 LEU 49 3.054 5.913 -1.631 396 HD22 LEU 49 2HD2 LEU 49 3.955 6.732 -0.332 397 HD23 LEU 49 3HD2 LEU 49 3.929 7.425 -1.972 398 H LYS 50 H LYS 50 2.689 6.649 -5.402 399 HA LYS 50 HA LYS 50 2.720 5.702 -7.899 400 HB2 LYS 50 1HB LYS 50 1.873 7.995 -6.716 401 HB3 LYS 50 2HB LYS 50 3.166 8.629 -7.714 402 HG2 LYS 50 1HG LYS 50 2.133 7.994 -9.720 403 HG3 LYS 50 2HG LYS 50 1.269 6.659 -8.982 404 HD2 LYS 50 1HD LYS 50 0.038 8.613 -7.629 405 HD3 LYS 50 2HD LYS 50 0.580 9.603 -8.970 406 HE2 LYS 50 1HE LYS 50 -0.764 8.489 -10.530 407 HE3 LYS 50 2HE LYS 50 -0.740 6.979 -9.641 408 HZ1 LYS 50 1HZ LYS 50 -2.668 7.578 -8.801 409 HZ2 LYS 50 2HZ LYS 50 -1.958 8.817 -8.009 410 HZ3 LYS 50 3HZ LYS 50 -2.604 9.057 -9.490 411 H GLY 51 H GLY 51 4.093 5.500 -9.642 412 HA2 GLY 51 1HA GLY 51 5.984 5.780 -10.883 413 HA3 GLY 51 2HA GLY 51 6.629 6.881 -9.682 414 H GLN 52 H GLN 52 6.468 5.278 -7.325 415 HA GLN 52 HA GLN 52 8.759 3.686 -7.752 416 HB2 GLN 52 1HB GLN 52 7.184 4.689 -5.466 417 HB3 GLN 52 2HB GLN 52 7.825 3.082 -5.190 418 HG2 GLN 52 1HG GLN 52 9.903 4.646 -6.437 419 HG3 GLN 52 2HG GLN 52 9.230 5.605 -5.134 420 HE21 GLN 52 1HE2 GLN 52 8.948 4.533 -3.029 421 HE22 GLN 52 2HE2 GLN 52 10.140 3.396 -2.494 422 HA PRO 53 HA PRO 53 6.959 -0.259 -8.038 423 HB2 PRO 53 1HB PRO 53 8.430 -1.876 -6.398 424 HB3 PRO 53 2HB PRO 53 8.981 -1.358 -7.978 425 HG2 PRO 53 1HG PRO 53 9.844 -0.415 -5.313 426 HG3 PRO 53 2HG PRO 53 10.655 -0.235 -6.856 427 HD2 PRO 53 1HD PRO 53 9.181 1.782 -5.447 428 HD3 PRO 53 2HD PRO 53 9.892 1.926 -7.042 429 HA PRO 54 HA PRO 54 3.952 -0.822 -5.089 430 HB2 PRO 54 1HB PRO 54 2.691 -3.038 -6.073 431 HB3 PRO 54 2HB PRO 54 2.380 -1.417 -6.662 432 HG2 PRO 54 1HG PRO 54 3.927 -3.588 -7.940 433 HG3 PRO 54 2HG PRO 54 3.252 -2.144 -8.669 434 HD2 PRO 54 1HD PRO 54 6.003 -2.601 -7.995 435 HD3 PRO 54 2HD PRO 54 5.308 -1.117 -8.616 436 H VAL 55 H VAL 55 4.531 -1.255 -3.056 437 HA VAL 55 HA VAL 55 6.129 -3.539 -2.545 438 HB VAL 55 HB VAL 55 6.150 -1.364 -1.311 439 HG11 VAL 55 1HG1 VAL 55 3.572 -2.438 -0.117 440 HG12 VAL 55 2HG1 VAL 55 4.496 -1.051 0.508 441 HG13 VAL 55 3HG1 VAL 55 3.758 -0.972 -1.110 442 HG21 VAL 55 1HG2 VAL 55 5.908 -4.023 0.085 443 HG22 VAL 55 2HG2 VAL 55 7.359 -3.049 -0.253 444 HG23 VAL 55 3HG2 VAL 55 6.220 -2.538 1.015 445 H VAL 56 H VAL 56 2.852 -3.200 -3.297 446 HA VAL 56 HA VAL 56 2.313 -5.796 -2.064 447 HB VAL 56 HB VAL 56 0.381 -3.471 -2.052 448 HG11 VAL 56 1HG1 VAL 56 0.226 -6.349 -1.268 449 HG12 VAL 56 2HG1 VAL 56 -0.611 -5.164 -0.236 450 HG13 VAL 56 3HG1 VAL 56 -1.014 -5.280 -1.966 451 HG21 VAL 56 1HG2 VAL 56 0.996 -4.191 0.594 452 HG22 VAL 56 2HG2 VAL 56 2.563 -4.094 -0.246 453 HG23 VAL 56 3HG2 VAL 56 1.460 -2.697 -0.256 454 H ASP 57 H ASP 57 1.887 -7.192 -3.686 455 HA ASP 57 HA ASP 57 0.051 -6.383 -5.710 456 HB2 ASP 57 1HB ASP 57 1.554 -6.986 -7.601 457 HB3 ASP 57 2HB ASP 57 2.152 -5.597 -6.714 458 H GLY 58 H GLY 58 -1.026 -8.263 -6.539 459 HA2 GLY 58 1HA GLY 58 -0.369 -10.736 -7.016 460 HA3 GLY 58 2HA GLY 58 -0.250 -10.792 -5.268 461 H GLU 59 H GLU 59 -2.127 -12.328 -6.859 462 HA GLU 59 HA GLU 59 -4.628 -11.025 -6.795 463 HB2 GLU 59 1HB GLU 59 -4.193 -12.815 -8.402 464 HB3 GLU 59 2HB GLU 59 -3.847 -13.954 -7.116 465 HG2 GLU 59 1HG GLU 59 -6.217 -13.640 -6.267 466 HG3 GLU 59 2HG GLU 59 -6.540 -12.614 -7.651 467 H LEU 60 H LEU 60 -5.756 -10.552 -4.964 468 HA LEU 60 HA LEU 60 -5.110 -11.310 -2.446 469 HB2 LEU 60 1HB LEU 60 -7.771 -10.575 -3.656 470 HB3 LEU 60 2HB LEU 60 -7.552 -10.818 -1.934 471 HG LEU 60 HG LEU 60 -5.895 -8.833 -3.500 472 HD11 LEU 60 1HD1 LEU 60 -8.653 -8.520 -2.339 473 HD12 LEU 60 2HD1 LEU 60 -7.535 -7.138 -2.433 474 HD13 LEU 60 3HD1 LEU 60 -8.020 -7.993 -3.917 475 HD21 LEU 60 1HD2 LEU 60 -5.990 -9.720 -0.742 476 HD22 LEU 60 2HD2 LEU 60 -4.803 -8.685 -1.571 477 HD23 LEU 60 3HD2 LEU 60 -6.274 -7.968 -0.872 478 H TYR 61 H TYR 61 -6.409 -12.732 -0.888 479 HA TYR 61 HA TYR 61 -6.173 -15.381 -1.691 480 HB2 TYR 61 1HB TYR 61 -6.155 -14.475 0.659 481 HB3 TYR 61 2HB TYR 61 -7.811 -13.932 0.480 482 HD1 TYR 61 2HD TYR 61 -5.663 -16.952 0.728 483 HD2 TYR 61 1HD TYR 61 -9.649 -15.406 0.873 484 HE1 TYR 61 2HE TYR 61 -6.497 -19.170 1.649 485 HE2 TYR 61 1HE TYR 61 -10.470 -17.629 1.794 486 HH TYR 61 HH TYR 61 -8.971 -19.638 3.247 487 H ASN 62 H ASN 62 -8.988 -13.146 -1.665 488 HA ASN 62 HA ASN 62 -10.297 -14.873 -3.501 489 HB2 ASN 62 1HB ASN 62 -10.868 -15.698 -1.066 490 HB3 ASN 62 2HB ASN 62 -11.818 -14.231 -0.936 491 HD21 ASN 62 1HD2 ASN 62 -13.338 -16.192 -0.604 492 HD22 ASN 62 2HD2 ASN 62 -14.247 -16.694 -1.990 493 H GLU 63 H GLU 63 -12.645 -13.789 -3.948 494 HA GLU 63 HA GLU 63 -12.189 -11.205 -4.724 495 HB2 GLU 63 1HB GLU 63 -14.836 -12.629 -4.206 496 HB3 GLU 63 2HB GLU 63 -14.687 -11.117 -5.079 497 HG2 GLU 63 1HG GLU 63 -13.226 -12.205 -6.769 498 HG3 GLU 63 2HG GLU 63 -13.289 -13.713 -5.878 499 H VAL 64 H VAL 64 -12.867 -9.135 -3.926 500 HA VAL 64 HA VAL 64 -13.989 -9.103 -1.238 501 HB VAL 64 HB VAL 64 -12.234 -7.330 -0.683 502 HG11 VAL 64 1HG1 VAL 64 -10.571 -9.087 0.015 503 HG12 VAL 64 2HG1 VAL 64 -12.255 -9.428 0.479 504 HG13 VAL 64 3HG1 VAL 64 -11.526 -10.271 -0.909 505 HG21 VAL 64 1HG2 VAL 64 -10.161 -7.328 -1.831 506 HG22 VAL 64 2HG2 VAL 64 -10.590 -8.775 -2.775 507 HG23 VAL 64 3HG2 VAL 64 -11.410 -7.228 -3.095 508 H LYS 65 H LYS 65 -15.535 -7.542 -1.045 509 HA LYS 65 HA LYS 65 -16.453 -6.185 -3.251 510 HB2 LYS 65 1HB LYS 65 -17.352 -6.649 -0.727 511 HB3 LYS 65 2HB LYS 65 -16.970 -4.943 -0.609 512 HG2 LYS 65 1HG LYS 65 -18.768 -4.369 -1.874 513 HG3 LYS 65 2HG LYS 65 -18.312 -5.486 -3.145 514 HD2 LYS 65 1HD LYS 65 -19.449 -7.334 -2.060 515 HD3 LYS 65 2HD LYS 65 -19.658 -6.425 -0.577 516 HE2 LYS 65 1HE LYS 65 -20.844 -5.355 -3.154 517 HE3 LYS 65 2HE LYS 65 -21.670 -6.642 -2.297 518 HZ1 LYS 65 1HZ LYS 65 -20.912 -4.045 -1.148 519 HZ2 LYS 65 2HZ LYS 65 -22.422 -4.504 -1.567 520 HZ3 LYS 65 3HZ LYS 65 -21.656 -5.247 -0.331 521 H VAL 66 H VAL 66 -15.103 -4.928 -4.476 522 HA VAL 66 HA VAL 66 -13.174 -3.228 -3.239 523 HB VAL 66 HB VAL 66 -12.445 -2.794 -5.386 524 HG11 VAL 66 1HG1 VAL 66 -12.306 -4.898 -6.503 525 HG12 VAL 66 2HG1 VAL 66 -12.424 -5.249 -4.761 526 HG13 VAL 66 3HG1 VAL 66 -13.850 -5.447 -5.808 527 HG21 VAL 66 1HG2 VAL 66 -14.477 -1.817 -6.293 528 HG22 VAL 66 2HG2 VAL 66 -13.836 -3.030 -7.427 529 HG23 VAL 66 3HG2 VAL 66 -15.237 -3.422 -6.401 530 H GLU 67 H GLU 67 -16.558 -3.023 -4.098 531 HA GLU 67 HA GLU 67 -16.587 -0.219 -4.419 532 HB2 GLU 67 1HB GLU 67 -18.696 -2.362 -4.067 533 HB3 GLU 67 2HB GLU 67 -19.153 -0.672 -3.996 534 HG2 GLU 67 1HG GLU 67 -17.506 -0.773 -6.259 535 HG3 GLU 67 2HG GLU 67 -18.357 -2.304 -6.330 536 H GLU 68 H GLU 68 -16.355 -2.355 -1.707 537 HA GLU 68 HA GLU 68 -17.327 -0.236 0.042 538 HB2 GLU 68 1HB GLU 68 -17.032 -3.233 0.501 539 HB3 GLU 68 2HB GLU 68 -17.401 -2.102 1.788 540 HG2 GLU 68 1HG GLU 68 -19.220 -1.450 -0.288 541 HG3 GLU 68 2HG GLU 68 -19.172 -3.202 -0.273 542 H SER 69 H SER 69 -14.527 -1.711 -1.237 543 HA SER 69 HA SER 69 -12.893 -1.732 1.011 544 HB2 SER 69 1HB SER 69 -12.470 -1.702 -1.969 545 HB3 SER 69 2HB SER 69 -11.086 -1.363 -0.949 546 HG SER 69 HG SER 69 -12.639 -3.760 -1.161 547 H SER 70 H SER 70 -11.174 -0.194 1.624 548 HA SER 70 HA SER 70 -11.312 2.403 0.428 549 HB2 SER 70 1HB SER 70 -11.759 3.572 2.578 550 HB3 SER 70 2HB SER 70 -13.116 2.585 2.075 551 HG SER 70 HG SER 70 -11.109 1.560 3.876 552 H TRP 71 H TRP 71 -9.311 3.462 0.602 553 HA TRP 71 HA TRP 71 -7.374 2.225 2.435 554 HB2 TRP 71 1HB TRP 71 -5.659 2.396 0.777 555 HB3 TRP 71 2HB TRP 71 -6.988 1.445 0.144 556 HD1 TRP 71 HD TRP 71 -8.318 2.474 -1.977 557 HE1 TRP 71 1HE TRP 71 -7.875 4.421 -3.703 558 HE3 TRP 71 3HE TRP 71 -4.629 4.720 0.706 559 HZ2 TRP 71 2HZ TRP 71 -6.071 6.632 -3.751 560 HZ3 TRP 71 3HZ TRP 71 -3.579 6.769 -0.251 561 HH2 TRP 71 HH TRP 71 -4.244 7.726 -2.400 562 H LEU 72 H LEU 72 -5.796 3.736 3.300 563 HA LEU 72 HA LEU 72 -6.022 6.504 2.584 564 HB2 LEU 72 1HB LEU 72 -7.042 7.367 4.413 565 HB3 LEU 72 2HB LEU 72 -7.943 5.876 4.225 566 HG LEU 72 HG LEU 72 -5.922 6.625 6.313 567 HD11 LEU 72 1HD1 LEU 72 -8.717 6.398 6.221 568 HD12 LEU 72 2HD1 LEU 72 -8.152 4.996 7.162 569 HD13 LEU 72 3HD1 LEU 72 -7.690 6.642 7.654 570 HD21 LEU 72 1HD2 LEU 72 -4.900 4.639 6.011 571 HD22 LEU 72 2HD2 LEU 72 -6.307 4.016 6.906 572 HD23 LEU 72 3HD2 LEU 72 -6.276 3.936 5.128 573 H ILE 73 H ILE 73 -4.438 7.831 3.973 574 HA ILE 73 HA ILE 73 -2.113 6.118 4.447 575 HB ILE 73 HB ILE 73 -2.232 9.097 3.975 576 HG12 ILE 73 1HG1 ILE 73 -1.064 7.687 1.786 577 HG13 ILE 73 2HG1 ILE 73 -2.617 6.948 2.120 578 HG21 ILE 73 1HG2 ILE 73 0.058 9.126 3.968 579 HG22 ILE 73 2HG2 ILE 73 -0.241 7.874 5.197 580 HG23 ILE 73 3HG2 ILE 73 0.196 7.405 3.536 581 HD11 ILE 73 1HD1 ILE 73 -1.997 9.786 1.309 582 HD12 ILE 73 2HD1 ILE 73 -3.267 8.691 0.711 583 HD13 ILE 73 3HD1 ILE 73 -3.445 9.478 2.297 584 H GLU 74 H GLU 74 -2.111 5.449 6.548 585 HA GLU 74 HA GLU 74 -3.219 7.028 8.583 586 HB2 GLU 74 1HB GLU 74 -1.849 4.407 8.339 587 HB3 GLU 74 2HB GLU 74 -1.594 5.197 9.883 588 HG2 GLU 74 1HG GLU 74 -4.400 5.412 9.041 589 HG3 GLU 74 2HG GLU 74 -3.883 3.738 9.083 590 H ASP 75 H ASP 75 -2.258 8.423 10.084 591 HA ASP 75 HA ASP 75 -0.836 9.921 10.763 592 HB2 ASP 75 1HB ASP 75 0.755 7.380 10.665 593 HB3 ASP 75 2HB ASP 75 1.680 8.852 10.886 594 H GLY 76 H GLY 76 -1.180 9.479 7.746 595 HA2 GLY 76 1HA GLY 76 -0.236 10.056 5.772 596 HA3 GLY 76 2HA GLY 76 0.304 11.457 6.675 597 H LYS 77 H LYS 77 1.233 7.934 6.581 598 HA LYS 77 HA LYS 77 3.838 8.620 5.603 599 HB2 LYS 77 1HB LYS 77 5.041 7.632 7.552 600 HB3 LYS 77 2HB LYS 77 4.271 9.171 7.886 601 HG2 LYS 77 1HG LYS 77 2.647 8.229 9.270 602 HG3 LYS 77 2HG LYS 77 2.639 6.701 8.411 603 HD2 LYS 77 1HD LYS 77 4.774 6.044 9.420 604 HD3 LYS 77 2HD LYS 77 4.982 7.632 10.132 605 HE2 LYS 77 1HE LYS 77 2.693 7.165 11.333 606 HE3 LYS 77 2HE LYS 77 2.958 5.492 10.885 607 HZ1 LYS 77 1HZ LYS 77 4.317 5.339 12.589 608 HZ2 LYS 77 2HZ LYS 77 5.321 6.454 11.945 609 HZ3 LYS 77 3HZ LYS 77 4.130 6.918 12.961 610 H VAL 78 H VAL 78 1.535 6.244 7.001 611 HA VAL 78 HA VAL 78 2.748 4.231 5.236 612 HB VAL 78 HB VAL 78 2.457 2.662 6.820 613 HG11 VAL 78 1HG1 VAL 78 3.615 4.795 7.830 614 HG12 VAL 78 2HG1 VAL 78 2.165 4.848 8.861 615 HG13 VAL 78 3HG1 VAL 78 3.215 3.410 8.874 616 HG21 VAL 78 1HG2 VAL 78 -0.009 2.828 6.772 617 HG22 VAL 78 2HG2 VAL 78 0.614 2.531 8.412 618 HG23 VAL 78 3HG2 VAL 78 0.068 4.161 7.948 619 H VAL 79 H VAL 79 1.471 3.254 3.692 620 HA VAL 79 HA VAL 79 -1.124 4.472 3.295 621 HB VAL 79 HB VAL 79 0.793 2.832 1.689 622 HG11 VAL 79 1HG1 VAL 79 -1.298 1.667 1.315 623 HG12 VAL 79 2HG1 VAL 79 -2.147 3.205 1.027 624 HG13 VAL 79 3HG1 VAL 79 -0.908 2.644 -0.121 625 HG21 VAL 79 1HG2 VAL 79 -0.595 5.500 1.405 626 HG22 VAL 79 2HG2 VAL 79 1.148 5.142 1.454 627 HG23 VAL 79 3HG2 VAL 79 0.189 4.701 0.021 628 H THR 80 H THR 80 -2.802 3.640 4.437 629 HA THR 80 HA THR 80 -2.776 0.775 5.020 630 HB THR 80 HB THR 80 -5.008 2.324 6.107 631 HG1 THR 80 1HG THR 80 -2.221 3.201 6.401 632 HG21 THR 80 1HG2 THR 80 -3.589 1.854 8.274 633 HG22 THR 80 2HG2 THR 80 -4.284 0.459 7.413 634 HG23 THR 80 3HG2 THR 80 -2.565 0.871 7.199 635 H VAL 81 H VAL 81 -4.423 -0.653 4.429 636 HA VAL 81 HA VAL 81 -6.371 0.420 2.529 637 HB VAL 81 HB VAL 81 -4.562 -1.963 2.089 638 HG11 VAL 81 1HG1 VAL 81 -7.181 -1.263 0.968 639 HG12 VAL 81 2HG1 VAL 81 -5.927 -1.509 -0.272 640 HG13 VAL 81 3HG1 VAL 81 -6.279 -2.796 0.907 641 HG21 VAL 81 1HG2 VAL 81 -4.325 -0.331 -0.106 642 HG22 VAL 81 2HG2 VAL 81 -4.490 0.850 1.215 643 HG23 VAL 81 3HG2 VAL 81 -3.197 -0.371 1.269 644 H HIS 82 H HIS 82 -8.349 -0.787 2.433 645 HA HIS 82 HA HIS 82 -8.555 -2.926 4.402 646 HB2 HIS 82 1HB HIS 82 -9.471 -1.411 5.800 647 HB3 HIS 82 2HB HIS 82 -9.843 -0.276 4.518 648 HD1 HIS 82 1HD HIS 82 -11.402 -2.714 6.756 649 HD2 HIS 82 2HD HIS 82 -12.300 -1.020 3.025 650 HE1 HIS 82 1HE HIS 82 -13.885 -3.143 6.355 651 H LEU 83 H LEU 83 -9.355 -4.696 3.397 652 HA LEU 83 HA LEU 83 -10.994 -4.226 1.012 653 HB2 LEU 83 1HB LEU 83 -9.586 -6.782 1.751 654 HB3 LEU 83 2HB LEU 83 -10.263 -6.321 0.201 655 HG LEU 83 HG LEU 83 -8.051 -6.005 -0.236 656 HD11 LEU 83 1HD1 LEU 83 -8.207 -3.315 1.033 657 HD12 LEU 83 2HD1 LEU 83 -7.737 -3.786 -0.617 658 HD13 LEU 83 3HD1 LEU 83 -9.457 -3.743 -0.160 659 HD21 LEU 83 1HD2 LEU 83 -7.339 -6.678 2.049 660 HD22 LEU 83 2HD2 LEU 83 -6.331 -5.397 1.333 661 HD23 LEU 83 3HD2 LEU 83 -7.542 -4.989 2.572 662 H GLU 84 H GLU 84 -13.034 -5.179 0.811 663 HA GLU 84 HA GLU 84 -14.052 -6.183 3.339 664 HB2 GLU 84 1HB GLU 84 -15.190 -4.200 2.393 665 HB3 GLU 84 2HB GLU 84 -15.511 -5.066 0.904 666 HG2 GLU 84 1HG GLU 84 -17.492 -5.652 1.869 667 HG3 GLU 84 2HG GLU 84 -16.554 -6.816 2.783 668 H LYS 85 H LYS 85 -14.273 -8.365 3.540 669 HA LYS 85 HA LYS 85 -13.899 -10.099 1.380 670 HB2 LYS 85 1HB LYS 85 -15.124 -10.647 4.100 671 HB3 LYS 85 2HB LYS 85 -14.520 -11.855 2.984 672 HG2 LYS 85 1HG LYS 85 -12.241 -10.905 3.121 673 HG3 LYS 85 2HG LYS 85 -12.816 -9.594 4.133 674 HD2 LYS 85 1HD LYS 85 -13.186 -11.008 5.996 675 HD3 LYS 85 2HD LYS 85 -13.306 -12.451 5.009 676 HE2 LYS 85 1HE LYS 85 -10.822 -12.131 4.425 677 HE3 LYS 85 2HE LYS 85 -10.773 -10.869 5.641 678 HZ1 LYS 85 1HZ LYS 85 -11.133 -12.374 7.306 679 HZ2 LYS 85 2HZ LYS 85 -11.836 -13.489 6.343 680 HZ3 LYS 85 3HZ LYS 85 -10.220 -13.265 6.287 681 H ILE 86 H ILE 86 -15.341 -11.360 0.146 682 HA ILE 86 HA ILE 86 -17.859 -10.098 -0.301 683 HB ILE 86 HB ILE 86 -16.562 -12.562 -1.468 684 HG12 ILE 86 1HG1 ILE 86 -15.476 -10.290 -1.830 685 HG13 ILE 86 2HG1 ILE 86 -15.868 -11.219 -3.263 686 HG21 ILE 86 1HG2 ILE 86 -18.359 -11.888 -3.328 687 HG22 ILE 86 2HG2 ILE 86 -18.710 -13.043 -2.020 688 HG23 ILE 86 3HG2 ILE 86 -19.249 -11.352 -1.883 689 HD11 ILE 86 1HD1 ILE 86 -18.202 -9.691 -2.667 690 HD12 ILE 86 2HD1 ILE 86 -16.815 -8.589 -2.492 691 HD13 ILE 86 3HD1 ILE 86 -17.071 -9.460 -4.023 692 H ASN 87 H ASN 87 -16.638 -12.851 1.556 693 HA ASN 87 HA ASN 87 -19.395 -13.632 2.055 694 HB2 ASN 87 1HB ASN 87 -16.939 -15.116 1.662 695 HB3 ASN 87 2HB ASN 87 -17.483 -15.419 3.300 696 HD21 ASN 87 1HD2 ASN 87 -19.922 -15.774 3.491 697 HD22 ASN 87 2HD2 ASN 87 -20.644 -16.861 2.353 698 H LYS 88 H LYS 88 -16.302 -12.494 3.445 699 HA LYS 88 HA LYS 88 -15.664 -12.050 5.542 700 HB2 LYS 88 1HB LYS 88 -17.571 -10.510 6.640 701 HB3 LYS 88 2HB LYS 88 -16.505 -9.962 5.362 702 HG2 LYS 88 1HG LYS 88 -18.215 -10.622 3.655 703 HG3 LYS 88 2HG LYS 88 -19.281 -11.166 4.934 704 HD2 LYS 88 1HD LYS 88 -18.239 -8.368 5.202 705 HD3 LYS 88 2HD LYS 88 -19.356 -8.644 3.880 706 HE2 LYS 88 1HE LYS 88 -20.534 -10.002 6.057 707 HE3 LYS 88 2HE LYS 88 -19.887 -8.540 6.773 708 HZ1 LYS 88 1HZ LYS 88 -21.347 -8.321 4.272 709 HZ2 LYS 88 2HZ LYS 88 -22.194 -8.544 5.650 710 HZ3 LYS 88 3HZ LYS 88 -21.219 -7.244 5.492 711 H MET 89 H MET 89 -15.778 -14.425 6.064 712 HA MET 89 HA MET 89 -17.390 -14.696 8.414 713 HB2 MET 89 1HB MET 89 -18.240 -16.988 7.582 714 HB3 MET 89 2HB MET 89 -18.975 -15.599 6.806 715 HG2 MET 89 1HG MET 89 -18.402 -16.656 4.854 716 HG3 MET 89 2HG MET 89 -16.808 -15.992 5.152 717 HE1 MET 89 1HE MET 89 -19.113 -18.581 4.854 718 HE2 MET 89 2HE MET 89 -18.000 -19.832 4.249 719 HE3 MET 89 3HE MET 89 -18.640 -19.936 5.907 720 H GLU 90 H GLU 90 -15.104 -16.185 6.049 721 HA GLU 90 HA GLU 90 -14.023 -17.823 8.154 722 HB2 GLU 90 1HB GLU 90 -12.677 -18.851 6.380 723 HB3 GLU 90 2HB GLU 90 -14.354 -18.768 5.878 724 HG2 GLU 90 1HG GLU 90 -12.603 -16.430 5.161 725 HG3 GLU 90 2HG GLU 90 -12.313 -17.929 4.301 726 H TRP 91 H TRP 91 -11.288 -17.912 7.458 727 HA TRP 91 HA TRP 91 -10.445 -15.135 7.935 728 HB2 TRP 91 1HB TRP 91 -9.995 -15.882 10.002 729 HB3 TRP 91 2HB TRP 91 -9.977 -17.568 9.523 730 HD1 TRP 91 HD TRP 91 -7.567 -18.545 8.615 731 HE1 TRP 91 1HE TRP 91 -5.055 -17.816 8.963 732 HE3 TRP 91 3HE TRP 91 -8.608 -13.850 10.268 733 HZ2 TRP 91 2HZ TRP 91 -3.813 -15.413 9.870 734 HZ3 TRP 91 3HZ TRP 91 -6.688 -12.376 10.864 735 HH2 TRP 91 HH TRP 91 -4.356 -13.090 10.687 736 H TRP 92 H TRP 92 -8.719 -14.451 6.659 737 HA TRP 92 HA TRP 92 -8.003 -16.201 4.490 738 HB2 TRP 92 1HB TRP 92 -7.449 -13.322 5.168 739 HB3 TRP 92 2HB TRP 92 -6.613 -14.129 3.856 740 HD1 TRP 92 HD TRP 92 -10.253 -15.152 4.278 741 HE1 TRP 92 1HE TRP 92 -11.782 -14.178 2.360 742 HE3 TRP 92 3HE TRP 92 -6.742 -12.021 2.349 743 HZ2 TRP 92 2HZ TRP 92 -11.361 -12.251 0.298 744 HZ3 TRP 92 3HZ TRP 92 -7.382 -10.628 0.383 745 HH2 TRP 92 HH TRP 92 -9.601 -10.707 -0.640 746 H ASN 93 H ASN 93 -6.311 -17.611 4.604 747 HA ASN 93 HA ASN 93 -4.673 -17.697 6.840 748 HB2 ASN 93 1HB ASN 93 -5.278 -19.503 4.962 749 HB3 ASN 93 2HB ASN 93 -3.837 -18.891 4.175 750 HD21 ASN 93 1HD2 ASN 93 -4.187 -21.509 5.133 751 HD22 ASN 93 2HD2 ASN 93 -3.044 -21.818 6.397 752 H ARG 94 H ARG 94 -4.691 -15.617 4.123 753 HA ARG 94 HA ARG 94 -2.160 -14.570 4.857 754 HB2 ARG 94 1HB ARG 94 -0.998 -14.856 2.775 755 HB3 ARG 94 2HB ARG 94 -1.658 -16.437 3.145 756 HG2 ARG 94 1HG ARG 94 -3.571 -14.788 1.628 757 HG3 ARG 94 2HG ARG 94 -2.054 -14.973 0.770 758 HD2 ARG 94 1HD ARG 94 -3.926 -17.167 1.746 759 HD3 ARG 94 2HD ARG 94 -3.413 -16.843 0.102 760 HE ARG 94 HE ARG 94 -1.988 -18.428 2.053 761 HH11 ARG 94 2HH2 ARG 94 -1.467 -16.199 -0.620 762 HH12 ARG 94 1HH2 ARG 94 0.093 -16.840 -1.017 763 HH21 ARG 94 2HH1 ARG 94 0.069 -19.273 1.529 764 HH22 ARG 94 1HH1 ARG 94 0.972 -18.600 0.213 765 H LEU 95 H LEU 95 -1.865 -13.121 2.241 766 HA LEU 95 HA LEU 95 -4.289 -11.469 2.410 767 HB2 LEU 95 1HB LEU 95 -2.140 -10.533 3.382 768 HB3 LEU 95 2HB LEU 95 -1.515 -10.493 1.746 769 HG LEU 95 HG LEU 95 -2.392 -8.314 2.550 770 HD11 LEU 95 1HD1 LEU 95 -2.819 -9.577 0.050 771 HD12 LEU 95 2HD1 LEU 95 -4.265 -8.600 0.402 772 HD13 LEU 95 3HD1 LEU 95 -2.655 -7.840 0.402 773 HD21 LEU 95 1HD2 LEU 95 -4.616 -7.902 3.063 774 HD22 LEU 95 2HD2 LEU 95 -5.186 -9.389 2.268 775 HD23 LEU 95 3HD2 LEU 95 -4.323 -9.485 3.822 776 H VAL 96 H VAL 96 -1.553 -12.561 0.298 777 HA VAL 96 HA VAL 96 -3.463 -12.472 -1.929 778 HB VAL 96 HB VAL 96 -1.415 -11.872 -3.330 779 HG11 VAL 96 1HG1 VAL 96 -1.861 -9.473 -1.713 780 HG12 VAL 96 2HG1 VAL 96 -2.281 -9.806 -3.410 781 HG13 VAL 96 3HG1 VAL 96 -3.370 -10.332 -2.104 782 HG21 VAL 96 1HG2 VAL 96 0.525 -11.108 -2.386 783 HG22 VAL 96 2HG2 VAL 96 -0.281 -10.556 -0.898 784 HG23 VAL 96 3HG2 VAL 96 0.051 -12.288 -1.140 785 H THR 97 H THR 97 -3.592 -14.351 -3.081 786 HA THR 97 HA THR 97 -2.706 -16.721 -2.181 787 HB THR 97 HB THR 97 -3.034 -17.477 -4.573 788 HG1 THR 97 1HG THR 97 -2.124 -15.712 -5.708 789 HG21 THR 97 1HG2 THR 97 -4.976 -16.354 -2.940 790 HG22 THR 97 2HG2 THR 97 -5.089 -15.325 -4.389 791 HG23 THR 97 3HG2 THR 97 -5.309 -17.086 -4.528 792 H SER 98 H SER 98 -0.776 -14.309 -3.931 793 HA SER 98 HA SER 98 1.585 -15.058 -2.993 794 HB2 SER 98 1HB SER 98 0.681 -17.084 -4.872 795 HB3 SER 98 2HB SER 98 2.121 -16.311 -5.502 796 HG SER 98 HG SER 98 1.995 -18.196 -3.610 797 H ASP 99 H ASP 99 3.310 -13.796 -3.950 798 HA ASP 99 HA ASP 99 2.611 -11.499 -5.111 799 HB2 ASP 99 1HB ASP 99 5.108 -11.827 -6.199 800 HB3 ASP 99 2HB ASP 99 4.820 -11.358 -4.536 801 HA PRO 100 HA PRO 100 2.060 -12.309 -9.388 802 HB2 PRO 100 1HB PRO 100 3.146 -10.141 -10.647 803 HB3 PRO 100 2HB PRO 100 1.572 -10.113 -9.878 804 HG2 PRO 100 1HG PRO 100 4.116 -8.941 -8.934 805 HG3 PRO 100 2HG PRO 100 2.481 -8.575 -8.420 806 HD2 PRO 100 1HD PRO 100 4.410 -10.160 -7.007 807 HD3 PRO 100 2HD PRO 100 2.740 -9.889 -6.551 808 H GLU 101 H GLU 101 5.038 -10.618 -10.037 809 HA GLU 101 HA GLU 101 5.971 -13.110 -11.202 810 HB2 GLU 101 1HB GLU 101 7.719 -11.393 -12.222 811 HB3 GLU 101 2HB GLU 101 6.110 -11.535 -12.901 812 HG2 GLU 101 1HG GLU 101 5.364 -9.520 -11.921 813 HG3 GLU 101 2HG GLU 101 6.564 -9.572 -10.645 814 H ILE 102 H ILE 102 8.255 -10.522 -10.508 815 HA ILE 102 HA ILE 102 9.312 -12.134 -8.289 816 HB ILE 102 HB ILE 102 10.943 -10.503 -10.228 817 HG12 ILE 102 1HG1 ILE 102 10.447 -13.493 -10.318 818 HG13 ILE 102 2HG1 ILE 102 9.712 -12.329 -11.401 819 HG21 ILE 102 1HG2 ILE 102 12.711 -12.170 -9.316 820 HG22 ILE 102 2HG2 ILE 102 12.223 -10.780 -8.317 821 HG23 ILE 102 3HG2 ILE 102 11.560 -12.397 -7.977 822 HD11 ILE 102 1HD1 ILE 102 12.237 -13.578 -11.698 823 HD12 ILE 102 2HD1 ILE 102 11.571 -12.261 -12.693 824 HD13 ILE 102 3HD1 ILE 102 12.591 -11.883 -11.284 825 H ASN 103 H ASN 103 10.521 -10.881 -6.637 826 HA ASN 103 HA ASN 103 10.596 -8.160 -6.567 827 HB2 ASN 103 1HB ASN 103 8.130 -8.138 -6.576 828 HB3 ASN 103 2HB ASN 103 8.070 -9.314 -5.278 829 HD21 ASN 103 1HD2 ASN 103 9.303 -6.096 -6.117 830 HD22 ASN 103 2HD2 ASN 103 9.127 -5.371 -4.554 831 H THR 104 H THR 104 12.164 -7.873 -4.969 832 HA THR 104 HA THR 104 12.285 -9.897 -2.842 833 HB THR 104 HB THR 104 14.653 -9.479 -2.841 834 HG1 THR 104 1HG THR 104 13.943 -7.196 -4.544 835 HG21 THR 104 1HG2 THR 104 13.400 -10.070 -5.317 836 HG22 THR 104 2HG2 THR 104 14.556 -8.769 -5.689 837 HG23 THR 104 3HG2 THR 104 15.126 -10.277 -4.934 838 H LYS 105 H LYS 105 12.457 -9.332 -0.664 839 HA LYS 105 HA LYS 105 11.389 -6.677 -0.125 840 HB2 LYS 105 1HB LYS 105 10.670 -7.544 1.961 841 HB3 LYS 105 2HB LYS 105 10.282 -8.755 0.756 842 HG2 LYS 105 1HG LYS 105 12.388 -9.994 1.339 843 HG3 LYS 105 2HG LYS 105 12.746 -8.792 2.564 844 HD2 LYS 105 1HD LYS 105 10.218 -9.429 3.339 845 HD3 LYS 105 2HD LYS 105 10.646 -10.941 2.563 846 HE2 LYS 105 1HE LYS 105 12.719 -11.068 3.974 847 HE3 LYS 105 2HE LYS 105 12.271 -9.567 4.759 848 HZ1 LYS 105 1HZ LYS 105 10.724 -12.064 4.804 849 HZ2 LYS 105 2HZ LYS 105 11.543 -11.405 6.054 850 HZ3 LYS 105 3HZ LYS 105 10.218 -10.657 5.461 851 H LYS 106 H LYS 106 12.289 -6.117 2.399 852 HA LYS 106 HA LYS 106 15.119 -5.652 1.862 853 HB2 LYS 106 1HB LYS 106 12.952 -4.182 3.233 854 HB3 LYS 106 2HB LYS 106 14.501 -4.133 4.051 855 HG2 LYS 106 1HG LYS 106 15.014 -2.446 2.603 856 HG3 LYS 106 2HG LYS 106 15.273 -3.718 1.425 857 HD2 LYS 106 1HD LYS 106 12.599 -3.482 1.131 858 HD3 LYS 106 2HD LYS 106 12.915 -1.870 1.741 859 HE2 LYS 106 1HE LYS 106 14.650 -1.547 -0.051 860 HE3 LYS 106 2HE LYS 106 14.289 -3.145 -0.674 861 HZ1 LYS 106 1HZ LYS 106 12.072 -2.449 -1.132 862 HZ2 LYS 106 2HZ LYS 106 12.304 -0.993 -0.429 863 HZ3 LYS 106 3HZ LYS 106 13.093 -1.369 -1.808 864 H ILE 107 H ILE 107 16.232 -5.329 4.313 865 HA ILE 107 HA ILE 107 16.900 -7.822 5.110 866 HB ILE 107 HB ILE 107 17.940 -6.849 6.945 867 HG12 ILE 107 1HG1 ILE 107 15.795 -5.905 7.902 868 HG13 ILE 107 2HG1 ILE 107 17.245 -4.956 8.165 869 HG21 ILE 107 1HG2 ILE 107 18.475 -5.907 4.593 870 HG22 ILE 107 2HG2 ILE 107 17.700 -4.419 5.188 871 HG23 ILE 107 3HG2 ILE 107 19.126 -5.077 6.027 872 HD11 ILE 107 1HD1 ILE 107 16.651 -3.360 6.476 873 HD12 ILE 107 2HD1 ILE 107 15.401 -4.433 5.800 874 HD13 ILE 107 3HD1 ILE 107 15.153 -3.667 7.388 875 H ASN 108 H ASN 108 14.107 -5.844 6.208 876 HA ASN 108 HA ASN 108 12.551 -8.025 6.728 877 HB2 ASN 108 1HB ASN 108 14.461 -7.825 8.757 878 HB3 ASN 108 2HB ASN 108 13.116 -6.938 9.445 879 HD21 ASN 108 1HD2 ASN 108 12.896 -8.564 11.009 880 HD22 ASN 108 2HD2 ASN 108 12.111 -10.072 10.675 881 HA PRO 109 HA PRO 109 9.873 -4.574 7.131 882 HB2 PRO 109 1HB PRO 109 7.582 -5.749 8.044 883 HB3 PRO 109 2HB PRO 109 8.066 -5.774 6.360 884 HG2 PRO 109 1HG PRO 109 8.183 -7.953 8.354 885 HG3 PRO 109 2HG PRO 109 8.251 -8.059 6.606 886 HD2 PRO 109 1HD PRO 109 10.456 -8.288 8.427 887 HD3 PRO 109 2HD PRO 109 10.539 -8.278 6.676 888 H GLU 110 H GLU 110 9.993 -6.666 9.943 889 HA GLU 110 HA GLU 110 9.606 -6.192 12.066 890 HB2 GLU 110 1HB GLU 110 11.565 -3.942 11.426 891 HB3 GLU 110 2HB GLU 110 11.305 -4.655 13.005 892 HG2 GLU 110 1HG GLU 110 11.847 -6.751 11.043 893 HG3 GLU 110 2HG GLU 110 13.111 -5.539 10.989 894 H ASN 111 H ASN 111 7.392 -5.561 12.151 895 HA ASN 111 HA ASN 111 6.907 -3.104 13.238 896 HB2 ASN 111 1HB ASN 111 7.075 -2.955 10.369 897 HB3 ASN 111 2HB ASN 111 5.376 -2.813 10.775 898 HD21 ASN 111 1HD2 ASN 111 4.657 -0.878 11.202 899 HD22 ASN 111 2HD2 ASN 111 5.565 0.482 11.773 900 H SER 112 H SER 112 4.792 -3.201 14.166 901 HA SER 112 HA SER 112 2.734 -4.676 12.962 902 HB2 SER 112 1HB SER 112 2.542 -6.363 14.906 903 HB3 SER 112 2HB SER 112 3.763 -6.683 13.691 904 HG SER 112 HG SER 112 5.346 -5.661 15.131 905 H LYS 113 H LYS 113 2.692 -2.083 13.669 906 HA LYS 113 HA LYS 113 2.080 -1.545 16.352 907 HB2 LYS 113 1HB LYS 113 1.486 -0.060 13.779 908 HB3 LYS 113 2HB LYS 113 1.117 0.579 15.369 909 HG2 LYS 113 1HG LYS 113 3.390 0.767 15.979 910 HG3 LYS 113 2HG LYS 113 3.908 -0.457 14.837 911 HD2 LYS 113 1HD LYS 113 4.609 1.443 13.696 912 HD3 LYS 113 2HD LYS 113 2.997 1.288 13.026 913 HE2 LYS 113 1HE LYS 113 3.001 2.798 15.562 914 HE3 LYS 113 2HE LYS 113 4.029 3.540 14.353 915 HZ1 LYS 113 1HZ LYS 113 2.226 4.253 13.347 916 HZ2 LYS 113 2HZ LYS 113 1.678 2.731 13.120 917 HZ3 LYS 113 3HZ LYS 113 1.267 3.554 14.469 918 H LEU 114 H LEU 114 -0.343 -0.196 16.419 919 HA LEU 114 HA LEU 114 -2.376 -1.991 15.431 920 HB2 LEU 114 1HB LEU 114 -2.344 -3.254 17.259 921 HB3 LEU 114 2HB LEU 114 -1.371 -2.110 18.163 922 HG LEU 114 HG LEU 114 -3.422 -0.774 18.629 923 HD11 LEU 114 1HD1 LEU 114 -5.566 -2.370 18.283 924 HD12 LEU 114 2HD1 LEU 114 -5.070 -1.113 17.125 925 HD13 LEU 114 3HD1 LEU 114 -4.620 -2.811 16.841 926 HD21 LEU 114 1HD2 LEU 114 -4.503 -2.881 19.970 927 HD22 LEU 114 2HD2 LEU 114 -2.872 -3.498 19.613 928 HD23 LEU 114 3HD2 LEU 114 -3.071 -1.967 20.498 929 H SER 115 H SER 115 -3.679 -0.550 14.432 930 HA SER 115 HA SER 115 -4.208 1.908 15.913 931 HB2 SER 115 1HB SER 115 -4.756 2.857 13.575 932 HB3 SER 115 2HB SER 115 -3.065 2.590 13.952 933 HG SER 115 HG SER 115 -4.652 1.402 12.005 934 H ASP 116 H ASP 116 -6.131 1.354 16.971 935 HA ASP 116 HA ASP 116 -8.325 0.720 15.180 936 HB2 ASP 116 1HB ASP 116 -7.334 -0.846 17.520 937 HB3 ASP 116 2HB ASP 116 -9.066 -0.585 17.498 938 H LEU 117 H LEU 117 -8.888 3.025 15.442 939 HA LEU 117 HA LEU 117 -9.117 4.221 17.977 940 HB2 LEU 117 1HB LEU 117 -9.843 6.080 16.855 941 HB3 LEU 117 2HB LEU 117 -8.860 5.270 15.651 942 HG LEU 117 HG LEU 117 -11.202 4.229 14.934 943 HD11 LEU 117 1HD1 LEU 117 -12.472 6.774 15.386 944 HD12 LEU 117 2HD1 LEU 117 -13.032 5.136 15.799 945 HD13 LEU 117 3HD1 LEU 117 -12.004 6.038 16.938 946 HD21 LEU 117 1HD2 LEU 117 -9.743 5.487 13.464 947 HD22 LEU 117 2HD2 LEU 117 -11.423 6.048 13.282 948 HD23 LEU 117 3HD2 LEU 117 -10.257 7.018 14.214 949 H ASP 118 H ASP 118 -10.375 3.249 19.512 950 HA ASP 118 HA ASP 118 -13.142 3.424 19.188 951 HB2 ASP 118 1HB ASP 118 -12.718 1.313 17.880 952 HB3 ASP 118 2HB ASP 118 -11.977 0.601 19.300 953 H SER 119 H SER 119 -14.178 3.139 21.299 954 HA SER 119 HA SER 119 -12.256 3.097 23.439 955 HB2 SER 119 1HB SER 119 -14.060 3.974 24.821 956 HB3 SER 119 2HB SER 119 -14.019 4.868 23.315 957 HG SER 119 HG SER 119 -16.115 3.606 24.368 958 H GLU 120 H GLU 120 -11.801 0.724 23.110 959 HA GLU 120 HA GLU 120 -13.905 -0.848 24.381 960 HB2 GLU 120 1HB GLU 120 -13.774 -1.600 22.102 961 HB3 GLU 120 2HB GLU 120 -12.021 -1.591 22.114 962 HG2 GLU 120 1HG GLU 120 -11.869 -3.602 23.267 963 HG3 GLU 120 2HG GLU 120 -13.340 -3.321 24.178 964 H THR 121 H THR 121 -13.180 -0.893 26.504 965 HA THR 121 HA THR 121 -10.441 -1.912 26.882 966 HB THR 121 HB THR 121 -10.642 0.499 27.498 967 HG1 THR 121 1HG THR 121 -9.404 -1.120 28.801 968 HG21 THR 121 1HG2 THR 121 -12.555 -0.388 29.696 969 HG22 THR 121 2HG2 THR 121 -12.149 1.269 29.187 970 HG23 THR 121 3HG2 THR 121 -13.177 0.247 28.154 971 H ARG 122 H ARG 122 -10.095 -3.364 28.635 972 HA ARG 122 HA ARG 122 -12.590 -4.655 29.389 973 HB2 ARG 122 1HB ARG 122 -11.052 -6.070 28.036 974 HB3 ARG 122 2HB ARG 122 -9.758 -5.798 29.186 975 HG2 ARG 122 1HG ARG 122 -10.833 -7.077 30.893 976 HG3 ARG 122 2HG ARG 122 -12.398 -6.981 30.110 977 HD2 ARG 122 1HD ARG 122 -10.948 -8.231 28.134 978 HD3 ARG 122 2HD ARG 122 -10.107 -8.823 29.553 979 HE ARG 122 HE ARG 122 -12.736 -9.199 30.258 980 HH11 ARG 122 2HH2 ARG 122 -10.904 -10.065 27.381 981 HH12 ARG 122 1HH2 ARG 122 -11.865 -11.465 27.036 982 HH21 ARG 122 2HH1 ARG 122 -14.003 -11.045 29.803 983 HH22 ARG 122 1HH1 ARG 122 -13.639 -12.026 28.423 984 H SER 123 H SER 123 -13.172 -4.174 31.485 985 HA SER 123 HA SER 123 -10.976 -3.840 33.376 986 HB2 SER 123 1HB SER 123 -13.148 -2.102 32.743 987 HB3 SER 123 2HB SER 123 -13.498 -2.749 34.334 988 HG SER 123 HG SER 123 -11.843 -1.659 35.189 989 H MET 124 H MET 124 -11.220 -4.822 35.492 990 HA MET 124 HA MET 124 -13.564 -6.457 35.865 991 HB2 MET 124 1HB MET 124 -11.602 -7.726 34.614 992 HB3 MET 124 2HB MET 124 -10.789 -7.695 36.166 993 HG2 MET 124 1HG MET 124 -13.640 -8.728 35.946 994 HG3 MET 124 2HG MET 124 -12.287 -9.772 35.562 995 HE1 MET 124 1HE MET 124 -14.187 -8.067 38.833 996 HE2 MET 124 2HE MET 124 -14.687 -9.306 37.657 997 HE3 MET 124 3HE MET 124 -14.148 -9.789 39.283 998 H VAL 125 H VAL 125 -14.048 -5.070 37.651 999 HA VAL 125 HA VAL 125 -12.946 -5.859 40.088 1000 HB VAL 125 HB VAL 125 -10.977 -4.673 39.548 1001 HG11 VAL 125 1HG1 VAL 125 -12.785 -2.912 38.118 1002 HG12 VAL 125 2HG1 VAL 125 -11.679 -1.981 39.157 1003 HG13 VAL 125 3HG1 VAL 125 -11.024 -3.114 37.950 1004 HG21 VAL 125 1HG2 VAL 125 -11.753 -4.314 41.829 1005 HG22 VAL 125 2HG2 VAL 125 -10.947 -2.848 41.220 1006 HG23 VAL 125 3HG2 VAL 125 -12.724 -2.918 41.306 1007 H SER 126 H SER 126 -14.619 -5.630 41.480 1008 HA SER 126 HA SER 126 -16.519 -3.515 40.827 1009 HB2 SER 126 1HB SER 126 -18.259 -4.931 41.856 1010 HB3 SER 126 2HB SER 126 -17.457 -5.783 40.551 1011 HG SER 126 HG SER 126 -16.004 -6.442 42.633 1012 H GLY 127 H GLY 127 -17.050 -2.029 42.445 1013 HA2 GLY 127 1HA GLY 127 -16.772 -2.526 45.208 1014 HA3 GLY 127 2HA GLY 127 -15.343 -1.695 44.627 1015 HA PRO 128 HA PRO 128 -19.204 1.087 44.331 1016 HB2 PRO 128 1HB PRO 128 -20.993 0.757 46.371 1017 HB3 PRO 128 2HB PRO 128 -21.220 0.067 44.776 1018 HG2 PRO 128 1HG PRO 128 -20.415 -1.281 47.281 1019 HG3 PRO 128 2HG PRO 128 -21.052 -1.988 45.809 1020 HD2 PRO 128 1HD PRO 128 -18.317 -2.000 46.676 1021 HD3 PRO 128 2HD PRO 128 -18.937 -2.604 45.152 1022 H SER 129 H SER 129 -20.081 2.966 45.803 1023 HA SER 129 HA SER 129 -18.489 3.279 48.128 1024 HB2 SER 129 1HB SER 129 -16.936 3.863 46.152 1025 HB3 SER 129 2HB SER 129 -17.970 5.249 45.868 1026 HG SER 129 HG SER 129 -16.790 4.732 48.453 1027 H SER 130 H SER 130 -19.184 5.171 49.387 1028 HA SER 130 HA SER 130 -21.179 6.851 48.250 1029 HB2 SER 130 1HB SER 130 -21.905 4.553 50.014 1030 HB3 SER 130 2HB SER 130 -22.647 6.083 50.436 1031 HG SER 130 HG SER 130 -23.433 6.246 48.224 1032 H GLY 131 H GLY 131 -22.031 8.417 50.084 1033 HA2 GLY 131 1HA GLY 131 -21.162 8.829 52.536 1034 HA3 GLY 131 2HA GLY 131 -19.691 9.191 51.655 Start of MODEL 20 1 H1 GLY 1 H GLY 1 22.027 -0.963 -1.227 2 HA2 GLY 1 1HA GLY 1 21.815 -3.201 -1.295 3 HA3 GLY 1 2HA GLY 1 23.229 -3.170 -2.329 4 H SER 2 H SER 2 22.087 -4.781 0.225 5 HA SER 2 HA SER 2 24.401 -5.899 0.983 6 HB2 SER 2 1HB SER 2 23.934 -3.326 2.427 7 HB3 SER 2 2HB SER 2 24.381 -4.685 3.439 8 HG SER 2 HG SER 2 26.319 -4.944 2.291 9 H SER 3 H SER 3 24.142 -7.179 3.141 10 HA SER 3 HA SER 3 22.971 -8.407 4.500 11 HB2 SER 3 1HB SER 3 21.324 -5.998 4.323 12 HB3 SER 3 2HB SER 3 20.317 -7.414 4.553 13 HG SER 3 HG SER 3 22.504 -6.515 6.219 14 H GLY 4 H GLY 4 20.911 -9.924 4.553 15 HA2 GLY 4 1HA GLY 4 20.513 -10.866 1.808 16 HA3 GLY 4 2HA GLY 4 20.250 -11.765 3.289 17 H SER 5 H SER 5 18.101 -12.335 3.270 18 HA SER 5 HA SER 5 16.218 -10.282 3.645 19 HB2 SER 5 1HB SER 5 16.277 -10.064 1.226 20 HB3 SER 5 2HB SER 5 16.173 -11.799 1.005 21 HG SER 5 HG SER 5 14.066 -11.421 0.841 22 H SER 6 H SER 6 14.463 -11.119 4.809 23 HA SER 6 HA SER 6 13.452 -13.647 4.501 24 HB2 SER 6 1HB SER 6 15.926 -13.667 5.964 25 HB3 SER 6 2HB SER 6 14.643 -14.004 7.109 26 HG SER 6 HG SER 6 13.929 -15.528 5.153 27 H GLY 7 H GLY 7 11.543 -12.348 4.744 28 HA2 GLY 7 1HA GLY 7 10.160 -12.318 7.006 29 HA3 GLY 7 2HA GLY 7 11.166 -10.904 7.248 30 HA PRO 8 HA PRO 8 7.534 -9.879 4.564 31 HB2 PRO 8 1HB PRO 8 5.877 -8.660 6.363 32 HB3 PRO 8 2HB PRO 8 5.695 -10.333 5.873 33 HG2 PRO 8 1HG PRO 8 6.762 -9.249 8.408 34 HG3 PRO 8 2HG PRO 8 6.181 -10.866 8.064 35 HD2 PRO 8 1HD PRO 8 8.918 -10.036 8.288 36 HD3 PRO 8 2HD PRO 8 8.339 -11.626 7.830 37 H ASN 9 H ASN 9 6.227 -7.443 4.884 38 HA ASN 9 HA ASN 9 8.420 -5.624 5.353 39 HB2 ASN 9 1HB ASN 9 7.001 -6.071 2.713 40 HB3 ASN 9 2HB ASN 9 7.480 -4.435 3.122 41 HD21 ASN 9 1HD2 ASN 9 8.438 -6.161 1.008 42 HD22 ASN 9 2HD2 ASN 9 10.147 -6.352 1.210 43 H TYR 10 H TYR 10 4.976 -6.127 4.307 44 HA TYR 10 HA TYR 10 4.249 -3.717 5.829 45 HB2 TYR 10 1HB TYR 10 2.192 -3.909 4.280 46 HB3 TYR 10 2HB TYR 10 3.693 -3.613 3.425 47 HD1 TYR 10 2HD TYR 10 4.831 -5.495 2.215 48 HD2 TYR 10 1HD TYR 10 0.946 -5.933 3.953 49 HE1 TYR 10 2HE TYR 10 4.422 -7.566 0.797 50 HE2 TYR 10 1HE TYR 10 0.550 -8.002 2.529 51 HH TYR 10 HH TYR 10 1.420 -8.854 0.315 52 H ARG 11 H ARG 11 2.131 -3.798 6.968 53 HA ARG 11 HA ARG 11 1.809 -6.449 8.084 54 HB2 ARG 11 1HB ARG 11 0.672 -5.284 9.970 55 HB3 ARG 11 2HB ARG 11 2.261 -4.604 9.682 56 HG2 ARG 11 1HG ARG 11 1.412 -2.611 8.789 57 HG3 ARG 11 2HG ARG 11 -0.066 -3.364 8.223 58 HD2 ARG 11 1HD ARG 11 -1.138 -2.692 10.107 59 HD3 ARG 11 2HD ARG 11 -0.039 -3.647 11.082 60 HE ARG 11 HE ARG 11 1.364 -1.293 10.378 61 HH11 ARG 11 2HH2 ARG 11 -1.507 -2.161 12.218 62 HH12 ARG 11 1HH2 ARG 11 -1.388 -0.804 13.287 63 HH21 ARG 11 2HH1 ARG 11 1.522 0.498 11.788 64 HH22 ARG 11 1HH1 ARG 11 0.347 0.719 13.041 65 H TRP 12 H TRP 12 -0.360 -7.372 8.359 66 HA TRP 12 HA TRP 12 -2.596 -5.995 7.200 67 HB2 TRP 12 1HB TRP 12 -3.014 -7.342 5.358 68 HB3 TRP 12 2HB TRP 12 -1.310 -6.949 5.235 69 HD1 TRP 12 HD TRP 12 0.401 -9.003 5.293 70 HE1 TRP 12 1HE TRP 12 0.225 -11.635 5.325 71 HE3 TRP 12 3HE TRP 12 -4.568 -9.181 6.359 72 HZ2 TRP 12 2HZ TRP 12 -1.925 -13.456 5.782 73 HZ3 TRP 12 3HZ TRP 12 -5.628 -11.426 6.582 74 HH2 TRP 12 HH TRP 12 -4.390 -13.516 6.311 75 H THR 13 H THR 13 -4.441 -6.699 8.256 76 HA THR 13 HA THR 13 -4.251 -9.271 9.671 77 HB THR 13 HB THR 13 -5.177 -8.199 11.666 78 HG1 THR 13 1HG THR 13 -5.679 -5.866 11.439 79 HG21 THR 13 1HG2 THR 13 -3.270 -6.035 10.761 80 HG22 THR 13 2HG2 THR 13 -3.372 -6.853 12.338 81 HG23 THR 13 3HG2 THR 13 -2.634 -7.686 10.949 82 H GLN 14 H GLN 14 -6.775 -9.339 10.789 83 HA GLN 14 HA GLN 14 -8.810 -8.519 9.149 84 HB2 GLN 14 1HB GLN 14 -9.384 -10.611 7.925 85 HB3 GLN 14 2HB GLN 14 -7.860 -9.931 7.389 86 HG2 GLN 14 1HG GLN 14 -6.642 -11.523 8.920 87 HG3 GLN 14 2HG GLN 14 -8.179 -12.230 9.377 88 HE21 GLN 14 1HE2 GLN 14 -6.253 -13.796 8.328 89 HE22 GLN 14 2HE2 GLN 14 -6.661 -14.333 6.732 90 H THR 15 H THR 15 -10.895 -9.299 9.918 91 HA THR 15 HA THR 15 -10.642 -10.825 12.426 92 HB THR 15 HB THR 15 -11.317 -8.410 12.649 93 HG1 THR 15 1HG THR 15 -12.189 -10.136 14.048 94 HG21 THR 15 1HG2 THR 15 -13.479 -9.350 10.731 95 HG22 THR 15 2HG2 THR 15 -13.855 -8.105 11.946 96 HG23 THR 15 3HG2 THR 15 -12.587 -7.809 10.733 97 H LEU 16 H LEU 16 -10.804 -12.001 9.733 98 HA LEU 16 HA LEU 16 -11.841 -13.704 8.784 99 HB2 LEU 16 1HB LEU 16 -12.977 -13.751 11.514 100 HB3 LEU 16 2HB LEU 16 -13.893 -14.612 10.293 101 HG LEU 16 HG LEU 16 -11.017 -15.208 10.211 102 HD11 LEU 16 1HD1 LEU 16 -12.403 -16.429 12.561 103 HD12 LEU 16 2HD1 LEU 16 -10.668 -16.168 12.256 104 HD13 LEU 16 3HD1 LEU 16 -11.704 -14.800 12.731 105 HD21 LEU 16 1HD2 LEU 16 -13.563 -16.840 10.303 106 HD22 LEU 16 2HD2 LEU 16 -12.515 -16.512 8.902 107 HD23 LEU 16 3HD2 LEU 16 -11.933 -17.552 10.225 108 H ALA 17 H ALA 17 -12.912 -10.696 9.004 109 HA ALA 17 HA ALA 17 -15.208 -11.266 7.290 110 HB1 ALA 17 1HB ALA 17 -15.537 -10.499 9.925 111 HB2 ALA 17 2HB ALA 17 -15.568 -8.939 9.069 112 HB3 ALA 17 3HB ALA 17 -16.716 -10.223 8.620 113 H GLU 18 H GLU 18 -12.971 -8.771 8.682 114 HA GLU 18 HA GLU 18 -12.973 -7.569 6.023 115 HB2 GLU 18 1HB GLU 18 -12.398 -6.201 8.689 116 HB3 GLU 18 2HB GLU 18 -12.434 -5.420 7.121 117 HG2 GLU 18 1HG GLU 18 -14.795 -5.738 6.878 118 HG3 GLU 18 2HG GLU 18 -14.850 -6.961 8.133 119 H LEU 19 H LEU 19 -10.848 -6.487 5.412 120 HA LEU 19 HA LEU 19 -8.602 -7.906 6.665 121 HB2 LEU 19 1HB LEU 19 -9.509 -7.846 3.878 122 HB3 LEU 19 2HB LEU 19 -7.813 -7.448 4.073 123 HG LEU 19 HG LEU 19 -8.817 -9.863 5.510 124 HD11 LEU 19 1HD1 LEU 19 -8.603 -11.271 3.517 125 HD12 LEU 19 2HD1 LEU 19 -9.916 -10.081 3.341 126 HD13 LEU 19 3HD1 LEU 19 -8.362 -9.821 2.513 127 HD21 LEU 19 1HD2 LEU 19 -6.550 -9.429 5.872 128 HD22 LEU 19 2HD2 LEU 19 -6.556 -10.699 4.625 129 HD23 LEU 19 3HD2 LEU 19 -6.258 -9.004 4.168 130 H ASP 20 H ASP 20 -7.085 -6.580 7.509 131 HA ASP 20 HA ASP 20 -7.251 -3.799 6.688 132 HB2 ASP 20 1HB ASP 20 -7.072 -5.067 9.220 133 HB3 ASP 20 2HB ASP 20 -5.486 -4.368 8.962 134 H LEU 21 H LEU 21 -5.190 -2.645 6.248 135 HA LEU 21 HA LEU 21 -2.775 -4.209 6.149 136 HB2 LEU 21 1HB LEU 21 -3.524 -4.962 4.093 137 HB3 LEU 21 2HB LEU 21 -4.302 -3.444 3.691 138 HG LEU 21 HG LEU 21 -2.049 -2.400 3.424 139 HD11 LEU 21 1HD1 LEU 21 -1.201 -4.985 4.487 140 HD12 LEU 21 2HD1 LEU 21 -0.348 -4.534 2.991 141 HD13 LEU 21 3HD1 LEU 21 -0.329 -3.436 4.392 142 HD21 LEU 21 1HD2 LEU 21 -2.177 -2.865 1.251 143 HD22 LEU 21 2HD2 LEU 21 -1.802 -4.585 1.513 144 HD23 LEU 21 3HD2 LEU 21 -3.478 -4.006 1.669 145 H ALA 22 H ALA 22 -0.926 -2.901 6.215 146 HA ALA 22 HA ALA 22 -1.317 -0.039 5.879 147 HB1 ALA 22 1HB ALA 22 -0.600 0.530 8.069 148 HB2 ALA 22 2HB ALA 22 -1.808 -0.755 8.306 149 HB3 ALA 22 3HB ALA 22 -0.072 -1.133 8.419 150 H VAL 23 H VAL 23 0.331 0.689 4.635 151 HA VAL 23 HA VAL 23 2.866 -0.787 4.819 152 HB VAL 23 HB VAL 23 1.613 0.504 2.387 153 HG11 VAL 23 1HG1 VAL 23 3.472 -0.132 1.147 154 HG12 VAL 23 2HG1 VAL 23 4.208 0.382 2.684 155 HG13 VAL 23 3HG1 VAL 23 3.984 -1.350 2.339 156 HG21 VAL 23 1HG2 VAL 23 1.274 -2.131 3.563 157 HG22 VAL 23 2HG2 VAL 23 0.433 -1.382 2.184 158 HG23 VAL 23 3HG2 VAL 23 1.973 -2.239 1.930 159 HA PRO 24 HA PRO 24 3.959 3.314 6.045 160 HB2 PRO 24 1HB PRO 24 6.193 2.623 7.460 161 HB3 PRO 24 2HB PRO 24 4.592 2.691 8.170 162 HG2 PRO 24 1HG PRO 24 6.183 0.318 7.409 163 HG3 PRO 24 2HG PRO 24 4.803 0.416 8.484 164 HD2 PRO 24 1HD PRO 24 4.812 -0.562 5.787 165 HD3 PRO 24 2HD PRO 24 3.414 -0.356 6.822 166 H PHE 25 H PHE 25 5.189 4.901 5.137 167 HA PHE 25 HA PHE 25 7.290 3.829 3.387 168 HB2 PHE 25 1HB PHE 25 5.216 6.072 3.063 169 HB3 PHE 25 2HB PHE 25 6.602 5.948 1.999 170 HD1 PHE 25 2HD PHE 25 6.725 2.975 1.669 171 HD2 PHE 25 1HD PHE 25 3.428 5.646 1.619 172 HE1 PHE 25 2HE PHE 25 5.456 1.382 0.202 173 HE2 PHE 25 1HE PHE 25 2.159 4.053 0.152 174 HZ PHE 25 HZ PHE 25 3.189 1.940 -0.539 175 H ARG 26 H ARG 26 9.272 4.900 3.383 176 HA ARG 26 HA ARG 26 9.679 6.622 5.592 177 HB2 ARG 26 1HB ARG 26 11.301 5.021 3.761 178 HB3 ARG 26 2HB ARG 26 11.999 6.621 3.920 179 HG2 ARG 26 1HG ARG 26 11.282 5.938 6.559 180 HG3 ARG 26 2HG ARG 26 11.880 4.434 5.889 181 HD2 ARG 26 1HD ARG 26 13.980 5.567 5.166 182 HD3 ARG 26 2HD ARG 26 13.380 7.097 5.776 183 HE ARG 26 HE ARG 26 13.208 5.301 7.939 184 HH11 ARG 26 2HH2 ARG 26 15.745 6.606 5.880 185 HH12 ARG 26 1HH2 ARG 26 16.972 6.484 7.097 186 HH21 ARG 26 2HH1 ARG 26 14.826 5.140 9.545 187 HH22 ARG 26 1HH1 ARG 26 16.445 5.645 9.195 188 H VAL 27 H VAL 27 8.378 8.511 5.028 189 HA VAL 27 HA VAL 27 9.632 10.133 2.925 190 HB VAL 27 HB VAL 27 7.275 11.131 2.716 191 HG11 VAL 27 1HG1 VAL 27 8.037 8.386 1.689 192 HG12 VAL 27 2HG1 VAL 27 6.587 9.257 1.134 193 HG13 VAL 27 3HG1 VAL 27 8.202 9.959 0.873 194 HG21 VAL 27 1HG2 VAL 27 6.132 8.494 3.415 195 HG22 VAL 27 2HG2 VAL 27 6.665 9.479 4.799 196 HG23 VAL 27 3HG2 VAL 27 5.475 10.132 3.647 197 H SER 28 H SER 28 9.380 12.517 3.311 198 HA SER 28 HA SER 28 9.437 12.976 6.187 199 HB2 SER 28 1HB SER 28 11.109 13.891 3.941 200 HB3 SER 28 2HB SER 28 10.563 15.224 4.939 201 HG SER 28 HG SER 28 11.288 13.502 6.746 202 H PHE 29 H PHE 29 7.217 13.030 3.880 203 HA PHE 29 HA PHE 29 6.032 15.509 4.869 204 HB2 PHE 29 1HB PHE 29 5.160 15.642 2.363 205 HB3 PHE 29 2HB PHE 29 6.792 16.184 2.697 206 HD1 PHE 29 1HD PHE 29 4.992 13.040 1.785 207 HD2 PHE 29 2HD PHE 29 8.481 15.411 1.333 208 HE1 PHE 29 1HE PHE 29 5.880 11.411 0.094 209 HE2 PHE 29 2HE PHE 29 9.369 13.783 -0.358 210 HZ PHE 29 HZ PHE 29 8.058 11.802 -0.957 211 H ARG 30 H ARG 30 3.611 15.578 4.382 212 HA ARG 30 HA ARG 30 2.546 13.091 5.163 213 HB2 ARG 30 1HB ARG 30 1.600 15.885 4.832 214 HB3 ARG 30 2HB ARG 30 0.365 14.699 4.458 215 HG2 ARG 30 1HG ARG 30 0.015 14.400 6.675 216 HG3 ARG 30 2HG ARG 30 1.636 13.752 6.826 217 HD2 ARG 30 1HD ARG 30 2.241 15.570 8.041 218 HD3 ARG 30 2HD ARG 30 1.927 16.596 6.656 219 HE ARG 30 HE ARG 30 -0.569 15.937 7.916 220 HH11 ARG 30 2HH2 ARG 30 2.313 17.889 8.433 221 HH12 ARG 30 1HH2 ARG 30 1.500 19.058 9.419 222 HH21 ARG 30 2HH1 ARG 30 -1.642 17.479 9.217 223 HH22 ARG 30 1HH1 ARG 30 -0.765 18.823 9.868 224 H LEU 31 H LEU 31 2.895 11.585 3.433 225 HA LEU 31 HA LEU 31 2.623 11.949 0.785 226 HB2 LEU 31 1HB LEU 31 2.331 9.696 2.647 227 HB3 LEU 31 2HB LEU 31 1.509 9.469 1.116 228 HG LEU 31 HG LEU 31 4.433 10.220 1.361 229 HD11 LEU 31 1HD1 LEU 31 3.282 7.473 0.816 230 HD12 LEU 31 2HD1 LEU 31 4.998 7.920 0.969 231 HD13 LEU 31 3HD1 LEU 31 3.926 8.007 2.387 232 HD21 LEU 31 1HD2 LEU 31 4.617 9.747 -0.957 233 HD22 LEU 31 2HD2 LEU 31 2.972 9.071 -1.025 234 HD23 LEU 31 3HD2 LEU 31 3.207 10.816 -0.763 235 H LYS 32 H LYS 32 1.014 12.199 -0.740 236 HA LYS 32 HA LYS 32 -1.631 12.720 0.376 237 HB2 LYS 32 1HB LYS 32 -0.151 13.627 -2.078 238 HB3 LYS 32 2HB LYS 32 -1.903 13.670 -2.058 239 HG2 LYS 32 1HG LYS 32 -0.084 14.987 0.015 240 HG3 LYS 32 2HG LYS 32 -0.908 15.826 -1.283 241 HD2 LYS 32 1HD LYS 32 -2.950 14.346 -0.002 242 HD3 LYS 32 2HD LYS 32 -1.956 14.938 1.314 243 HE2 LYS 32 1HE LYS 32 -2.076 17.262 0.191 244 HE3 LYS 32 2HE LYS 32 -3.303 16.592 -0.866 245 HZ1 LYS 32 1HZ LYS 32 -3.667 16.146 1.960 246 HZ2 LYS 32 2HZ LYS 32 -3.866 17.681 1.440 247 HZ3 LYS 32 3HZ LYS 32 -4.774 16.481 0.807 248 H GLY 33 H GLY 33 -3.238 12.313 -1.865 249 HA2 GLY 33 1HA GLY 33 -3.133 9.376 -2.060 250 HA3 GLY 33 2HA GLY 33 -4.557 10.385 -2.222 251 H LYS 34 H LYS 34 -1.344 11.026 -3.718 252 HA LYS 34 HA LYS 34 -2.471 10.284 -6.311 253 HB2 LYS 34 1HB LYS 34 -1.662 12.366 -7.311 254 HB3 LYS 34 2HB LYS 34 -2.882 12.670 -6.091 255 HG2 LYS 34 1HG LYS 34 -0.761 12.874 -4.471 256 HG3 LYS 34 2HG LYS 34 0.094 13.188 -5.968 257 HD2 LYS 34 1HD LYS 34 -2.468 14.686 -5.317 258 HD3 LYS 34 2HD LYS 34 -0.938 15.212 -4.643 259 HE2 LYS 34 1HE LYS 34 0.024 15.421 -6.927 260 HE3 LYS 34 2HE LYS 34 -1.467 14.825 -7.629 261 HZ1 LYS 34 1HZ LYS 34 -1.388 17.206 -5.921 262 HZ2 LYS 34 2HZ LYS 34 -1.204 17.281 -7.542 263 HZ3 LYS 34 3HZ LYS 34 -2.599 16.722 -6.903 264 H ASP 35 H ASP 35 0.422 11.313 -4.396 265 HA ASP 35 HA ASP 35 2.253 10.380 -6.260 266 HB2 ASP 35 1HB ASP 35 2.249 11.279 -3.431 267 HB3 ASP 35 2HB ASP 35 3.521 10.128 -3.787 268 H VAL 36 H VAL 36 0.000 8.734 -4.295 269 HA VAL 36 HA VAL 36 1.687 6.336 -4.149 270 HB VAL 36 HB VAL 36 1.039 6.581 -2.006 271 HG11 VAL 36 1HG1 VAL 36 -1.527 7.932 -2.909 272 HG12 VAL 36 2HG1 VAL 36 -0.979 7.742 -1.227 273 HG13 VAL 36 3HG1 VAL 36 -0.048 8.755 -2.357 274 HG21 VAL 36 1HG2 VAL 36 -1.419 5.309 -3.249 275 HG22 VAL 36 2HG2 VAL 36 0.033 4.486 -2.632 276 HG23 VAL 36 3HG2 VAL 36 -1.066 5.315 -1.505 277 H VAL 37 H VAL 37 0.443 4.232 -4.516 278 HA VAL 37 HA VAL 37 -1.723 4.620 -6.445 279 HB VAL 37 HB VAL 37 -0.250 4.204 -8.065 280 HG11 VAL 37 1HG1 VAL 37 1.701 2.687 -6.338 281 HG12 VAL 37 2HG1 VAL 37 2.003 3.660 -7.798 282 HG13 VAL 37 3HG1 VAL 37 1.603 4.462 -6.260 283 HG21 VAL 37 1HG2 VAL 37 -0.226 1.996 -8.749 284 HG22 VAL 37 2HG2 VAL 37 0.089 1.376 -7.111 285 HG23 VAL 37 3HG2 VAL 37 -1.534 1.968 -7.542 286 H VAL 38 H VAL 38 -3.362 3.827 -5.160 287 HA VAL 38 HA VAL 38 -2.908 1.133 -4.076 288 HB VAL 38 HB VAL 38 -4.478 3.478 -3.016 289 HG11 VAL 38 1HG1 VAL 38 -4.959 1.642 -1.135 290 HG12 VAL 38 2HG1 VAL 38 -6.047 1.889 -2.523 291 HG13 VAL 38 3HG1 VAL 38 -4.868 0.555 -2.542 292 HG21 VAL 38 1HG2 VAL 38 -3.130 2.709 -0.911 293 HG22 VAL 38 2HG2 VAL 38 -2.097 1.881 -2.101 294 HG23 VAL 38 3HG2 VAL 38 -2.315 3.646 -2.186 295 H ASP 39 H ASP 39 -3.638 -0.032 -5.876 296 HA ASP 39 HA ASP 39 -6.249 0.702 -6.879 297 HB2 ASP 39 1HB ASP 39 -3.889 -0.345 -8.052 298 HB3 ASP 39 2HB ASP 39 -5.022 -1.682 -8.074 299 H ILE 40 H ILE 40 -7.945 -0.269 -5.748 300 HA ILE 40 HA ILE 40 -7.470 -2.965 -4.694 301 HB ILE 40 HB ILE 40 -9.390 -0.794 -3.852 302 HG12 ILE 40 1HG1 ILE 40 -7.124 -2.065 -2.297 303 HG13 ILE 40 2HG1 ILE 40 -6.947 -0.587 -3.221 304 HG21 ILE 40 1HG2 ILE 40 -9.446 -2.795 -1.928 305 HG22 ILE 40 2HG2 ILE 40 -10.720 -2.418 -3.112 306 HG23 ILE 40 3HG2 ILE 40 -9.515 -3.678 -3.471 307 HD11 ILE 40 1HD1 ILE 40 -7.501 -0.311 -0.723 308 HD12 ILE 40 2HD1 ILE 40 -8.533 0.593 -1.857 309 HD13 ILE 40 3HD1 ILE 40 -9.127 -0.915 -1.121 310 H GLN 41 H GLN 41 -7.984 -4.326 -6.380 311 HA GLN 41 HA GLN 41 -10.441 -3.756 -7.799 312 HB2 GLN 41 1HB GLN 41 -7.973 -5.358 -8.343 313 HB3 GLN 41 2HB GLN 41 -9.463 -5.993 -9.014 314 HG2 GLN 41 1HG GLN 41 -8.522 -3.112 -9.396 315 HG3 GLN 41 2HG GLN 41 -8.216 -4.396 -10.549 316 HE21 GLN 41 1HE2 GLN 41 -9.764 -5.065 -11.915 317 HE22 GLN 41 2HE2 GLN 41 -11.360 -4.400 -12.024 318 H ARG 42 H ARG 42 -11.715 -5.929 -8.418 319 HA ARG 42 HA ARG 42 -12.923 -6.786 -6.160 320 HB2 ARG 42 1HB ARG 42 -13.835 -7.062 -8.468 321 HB3 ARG 42 2HB ARG 42 -12.629 -8.287 -8.812 322 HG2 ARG 42 1HG ARG 42 -14.072 -9.843 -8.014 323 HG3 ARG 42 2HG ARG 42 -13.842 -9.164 -6.414 324 HD2 ARG 42 1HD ARG 42 -15.797 -7.835 -6.543 325 HD3 ARG 42 2HD ARG 42 -15.807 -7.832 -8.295 326 HE ARG 42 HE ARG 42 -16.995 -9.843 -6.565 327 HH11 ARG 42 2HH2 ARG 42 -15.516 -9.358 -9.721 328 HH12 ARG 42 1HH2 ARG 42 -16.318 -10.711 -10.446 329 HH21 ARG 42 2HH1 ARG 42 -18.053 -11.628 -7.522 330 HH22 ARG 42 1HH1 ARG 42 -17.771 -12.011 -9.187 331 H ARG 43 H ARG 43 -10.484 -8.615 -8.159 332 HA ARG 43 HA ARG 43 -9.824 -10.046 -5.713 333 HB2 ARG 43 1HB ARG 43 -11.061 -11.243 -7.845 334 HB3 ARG 43 2HB ARG 43 -9.391 -11.435 -8.342 335 HG2 ARG 43 1HG ARG 43 -8.859 -12.504 -6.141 336 HG3 ARG 43 2HG ARG 43 -10.529 -12.312 -5.644 337 HD2 ARG 43 1HD ARG 43 -11.264 -14.065 -6.949 338 HD3 ARG 43 2HD ARG 43 -10.193 -13.665 -8.277 339 HE ARG 43 HE ARG 43 -8.610 -14.610 -6.082 340 HH11 ARG 43 2HH2 ARG 43 -10.909 -15.794 -8.470 341 HH12 ARG 43 1HH2 ARG 43 -10.266 -17.402 -8.478 342 HH21 ARG 43 2HH1 ARG 43 -7.762 -16.732 -6.094 343 HH22 ARG 43 1HH1 ARG 43 -8.465 -17.940 -7.118 344 H HIS 44 H HIS 44 -8.420 -7.789 -6.161 345 HA HIS 44 HA HIS 44 -5.810 -8.708 -6.563 346 HB2 HIS 44 1HB HIS 44 -7.079 -8.180 -8.974 347 HB3 HIS 44 2HB HIS 44 -6.204 -6.696 -8.655 348 HD1 HIS 44 1HD HIS 44 -3.541 -6.921 -8.359 349 HD2 HIS 44 2HD HIS 44 -5.520 -10.329 -9.796 350 HE1 HIS 44 1HE HIS 44 -1.738 -8.431 -9.348 351 H LEU 45 H LEU 45 -4.685 -7.520 -5.111 352 HA LEU 45 HA LEU 45 -5.621 -4.770 -4.665 353 HB2 LEU 45 1HB LEU 45 -6.128 -6.100 -2.759 354 HB3 LEU 45 2HB LEU 45 -4.532 -6.824 -2.747 355 HG LEU 45 HG LEU 45 -3.512 -4.767 -2.029 356 HD11 LEU 45 1HD1 LEU 45 -5.567 -2.982 -1.439 357 HD12 LEU 45 2HD1 LEU 45 -4.359 -2.838 -2.738 358 HD13 LEU 45 3HD1 LEU 45 -5.945 -3.573 -3.075 359 HD21 LEU 45 1HD2 LEU 45 -4.699 -4.401 0.145 360 HD22 LEU 45 2HD2 LEU 45 -6.005 -5.452 -0.453 361 HD23 LEU 45 3HD2 LEU 45 -4.362 -6.105 -0.241 362 H ARG 46 H ARG 46 -4.166 -3.131 -4.933 363 HA ARG 46 HA ARG 46 -1.378 -3.891 -5.038 364 HB2 ARG 46 1HB ARG 46 -2.535 -3.754 -7.399 365 HB3 ARG 46 2HB ARG 46 -2.539 -2.020 -7.141 366 HG2 ARG 46 1HG ARG 46 -0.085 -2.007 -6.869 367 HG3 ARG 46 2HG ARG 46 -0.031 -3.756 -6.969 368 HD2 ARG 46 1HD ARG 46 -0.963 -1.882 -9.199 369 HD3 ARG 46 2HD ARG 46 0.581 -2.708 -9.144 370 HE ARG 46 HE ARG 46 -1.555 -4.624 -8.868 371 HH11 ARG 46 2HH2 ARG 46 0.018 -2.581 -11.262 372 HH12 ARG 46 1HH2 ARG 46 -0.392 -3.608 -12.595 373 HH21 ARG 46 2HH1 ARG 46 -2.097 -5.980 -10.626 374 HH22 ARG 46 1HH1 ARG 46 -1.603 -5.554 -12.231 375 H VAL 47 H VAL 47 -0.186 -2.465 -3.797 376 HA VAL 47 HA VAL 47 -1.108 0.297 -3.634 377 HB VAL 47 HB VAL 47 -0.661 -1.566 -1.298 378 HG11 VAL 47 1HG1 VAL 47 -0.227 1.321 -1.506 379 HG12 VAL 47 2HG1 VAL 47 -1.415 0.892 -0.252 380 HG13 VAL 47 3HG1 VAL 47 0.218 0.186 -0.210 381 HG21 VAL 47 1HG2 VAL 47 -2.885 -1.810 -1.610 382 HG22 VAL 47 2HG2 VAL 47 -2.983 -0.218 -0.819 383 HG23 VAL 47 3HG2 VAL 47 -3.016 -0.333 -2.595 384 H GLY 48 H GLY 48 0.598 1.403 -4.445 385 HA2 GLY 48 1HA GLY 48 3.230 0.889 -3.274 386 HA3 GLY 48 2HA GLY 48 3.070 0.724 -5.012 387 H LEU 49 H LEU 49 4.827 2.603 -4.377 388 HA LEU 49 HA LEU 49 3.368 5.142 -4.300 389 HB2 LEU 49 1HB LEU 49 6.262 4.480 -3.739 390 HB3 LEU 49 2HB LEU 49 5.598 6.102 -3.761 391 HG LEU 49 HG LEU 49 4.794 3.882 -1.860 392 HD11 LEU 49 1HD1 LEU 49 6.486 4.512 -0.578 393 HD12 LEU 49 2HD1 LEU 49 6.993 5.693 -1.810 394 HD13 LEU 49 3HD1 LEU 49 5.848 6.173 -0.534 395 HD21 LEU 49 1HD2 LEU 49 2.889 5.014 -1.628 396 HD22 LEU 49 2HD2 LEU 49 3.859 6.276 -0.832 397 HD23 LEU 49 3HD2 LEU 49 3.495 6.397 -2.570 398 H LYS 50 H LYS 50 2.917 6.008 -6.247 399 HA LYS 50 HA LYS 50 3.649 5.157 -8.656 400 HB2 LYS 50 1HB LYS 50 2.820 7.769 -7.547 401 HB3 LYS 50 2HB LYS 50 3.609 7.854 -9.109 402 HG2 LYS 50 1HG LYS 50 1.868 6.825 -10.191 403 HG3 LYS 50 2HG LYS 50 1.642 5.643 -8.917 404 HD2 LYS 50 1HD LYS 50 0.380 7.234 -7.558 405 HD3 LYS 50 2HD LYS 50 0.780 8.557 -8.637 406 HE2 LYS 50 1HE LYS 50 -0.428 6.446 -10.208 407 HE3 LYS 50 2HE LYS 50 -1.444 6.737 -8.809 408 HZ1 LYS 50 1HZ LYS 50 -0.507 9.140 -9.996 409 HZ2 LYS 50 2HZ LYS 50 -1.384 8.238 -11.038 410 HZ3 LYS 50 3HZ LYS 50 -2.031 8.698 -9.611 411 H GLY 51 H GLY 51 5.479 4.868 -9.813 412 HA2 GLY 51 1HA GLY 51 7.532 5.466 -10.671 413 HA3 GLY 51 2HA GLY 51 7.719 6.691 -9.431 414 H GLN 52 H GLN 52 6.895 4.746 -7.238 415 HA GLN 52 HA GLN 52 9.494 3.464 -7.074 416 HB2 GLN 52 1HB GLN 52 7.626 4.701 -5.135 417 HB3 GLN 52 2HB GLN 52 8.305 3.185 -4.577 418 HG2 GLN 52 1HG GLN 52 10.416 4.736 -5.820 419 HG3 GLN 52 2HG GLN 52 9.574 5.761 -4.676 420 HE21 GLN 52 1HE2 GLN 52 8.855 4.326 -2.638 421 HE22 GLN 52 2HE2 GLN 52 10.167 3.511 -1.855 422 HA PRO 53 HA PRO 53 7.765 -0.523 -7.020 423 HB2 PRO 53 1HB PRO 53 9.032 -1.866 -5.005 424 HB3 PRO 53 2HB PRO 53 9.771 -1.558 -6.563 425 HG2 PRO 53 1HG PRO 53 10.294 -0.239 -3.970 426 HG3 PRO 53 2HG PRO 53 11.288 -0.255 -5.414 427 HD2 PRO 53 1HD PRO 53 9.640 1.903 -4.488 428 HD3 PRO 53 2HD PRO 53 10.542 1.843 -5.989 429 HA PRO 54 HA PRO 54 4.412 -0.541 -4.382 430 HB2 PRO 54 1HB PRO 54 2.980 -2.567 -5.528 431 HB3 PRO 54 2HB PRO 54 2.927 -0.912 -6.102 432 HG2 PRO 54 1HG PRO 54 4.302 -3.244 -7.291 433 HG3 PRO 54 2HG PRO 54 3.882 -1.717 -8.042 434 HD2 PRO 54 1HD PRO 54 6.480 -2.527 -7.137 435 HD3 PRO 54 2HD PRO 54 6.036 -0.959 -7.781 436 H VAL 55 H VAL 55 3.650 -1.505 -2.510 437 HA VAL 55 HA VAL 55 5.391 -3.669 -1.680 438 HB VAL 55 HB VAL 55 3.262 -2.206 -0.115 439 HG11 VAL 55 1HG1 VAL 55 5.318 -2.879 1.598 440 HG12 VAL 55 2HG1 VAL 55 3.797 -3.781 1.395 441 HG13 VAL 55 3HG1 VAL 55 5.252 -4.277 0.498 442 HG21 VAL 55 1HG2 VAL 55 4.605 -0.424 -0.750 443 HG22 VAL 55 2HG2 VAL 55 5.383 -0.947 0.764 444 HG23 VAL 55 3HG2 VAL 55 6.082 -1.416 -0.804 445 H VAL 56 H VAL 56 1.989 -2.996 -2.536 446 HA VAL 56 HA VAL 56 1.434 -5.848 -2.094 447 HB VAL 56 HB VAL 56 -0.529 -3.551 -2.145 448 HG11 VAL 56 1HG1 VAL 56 -1.908 -5.362 -0.890 449 HG12 VAL 56 2HG1 VAL 56 -1.739 -5.480 -2.658 450 HG13 VAL 56 3HG1 VAL 56 -0.745 -6.508 -1.598 451 HG21 VAL 56 1HG2 VAL 56 -0.478 -3.399 0.172 452 HG22 VAL 56 2HG2 VAL 56 0.275 -5.000 0.368 453 HG23 VAL 56 3HG2 VAL 56 1.242 -3.628 -0.225 454 H ASP 57 H ASP 57 0.744 -7.064 -3.826 455 HA ASP 57 HA ASP 57 -0.483 -5.958 -6.050 456 HB2 ASP 57 1HB ASP 57 1.679 -5.008 -6.634 457 HB3 ASP 57 2HB ASP 57 2.504 -6.515 -6.287 458 H GLY 58 H GLY 58 -1.827 -7.831 -5.846 459 HA2 GLY 58 1HA GLY 58 -1.053 -10.187 -7.127 460 HA3 GLY 58 2HA GLY 58 -0.853 -10.441 -5.404 461 H GLU 59 H GLU 59 -2.775 -11.833 -7.054 462 HA GLU 59 HA GLU 59 -5.288 -10.613 -6.826 463 HB2 GLU 59 1HB GLU 59 -5.089 -12.274 -8.503 464 HB3 GLU 59 2HB GLU 59 -4.318 -13.418 -7.423 465 HG2 GLU 59 1HG GLU 59 -6.473 -13.594 -6.120 466 HG3 GLU 59 2HG GLU 59 -7.233 -12.514 -7.272 467 H LEU 60 H LEU 60 -6.997 -10.974 -5.318 468 HA LEU 60 HA LEU 60 -6.073 -11.591 -2.684 469 HB2 LEU 60 1HB LEU 60 -8.804 -10.879 -3.761 470 HB3 LEU 60 2HB LEU 60 -8.413 -11.056 -2.062 471 HG LEU 60 HG LEU 60 -8.393 -8.707 -3.433 472 HD11 LEU 60 1HD1 LEU 60 -6.930 -9.567 -0.941 473 HD12 LEU 60 2HD1 LEU 60 -6.934 -7.875 -1.494 474 HD13 LEU 60 3HD1 LEU 60 -8.468 -8.684 -1.095 475 HD21 LEU 60 1HD2 LEU 60 -5.972 -8.026 -3.584 476 HD22 LEU 60 2HD2 LEU 60 -5.555 -9.753 -3.464 477 HD23 LEU 60 3HD2 LEU 60 -6.528 -9.166 -4.833 478 H TYR 61 H TYR 61 -6.720 -13.330 -1.338 479 HA TYR 61 HA TYR 61 -6.948 -15.792 -2.647 480 HB2 TYR 61 1HB TYR 61 -5.985 -15.464 -0.381 481 HB3 TYR 61 2HB TYR 61 -7.465 -14.719 0.189 482 HD1 TYR 61 2HD TYR 61 -9.594 -16.208 0.255 483 HD2 TYR 61 1HD TYR 61 -5.623 -17.766 -0.080 484 HE1 TYR 61 2HE TYR 61 -10.403 -18.469 1.090 485 HE2 TYR 61 1HE TYR 61 -6.446 -20.022 0.756 486 HH TYR 61 HH TYR 61 -8.518 -20.718 2.309 487 H ASN 62 H ASN 62 -9.297 -13.369 -2.173 488 HA ASN 62 HA ASN 62 -11.314 -15.099 -3.096 489 HB2 ASN 62 1HB ASN 62 -11.281 -15.538 -0.551 490 HB3 ASN 62 2HB ASN 62 -11.773 -13.871 -0.330 491 HD21 ASN 62 1HD2 ASN 62 -12.618 -16.783 -2.192 492 HD22 ASN 62 2HD2 ASN 62 -14.340 -16.611 -2.104 493 H GLU 63 H GLU 63 -12.576 -13.759 -4.410 494 HA GLU 63 HA GLU 63 -12.117 -11.256 -4.977 495 HB2 GLU 63 1HB GLU 63 -14.864 -12.556 -4.755 496 HB3 GLU 63 2HB GLU 63 -14.589 -11.031 -5.573 497 HG2 GLU 63 1HG GLU 63 -13.073 -12.081 -7.180 498 HG3 GLU 63 2HG GLU 63 -13.081 -13.587 -6.284 499 H VAL 64 H VAL 64 -11.932 -9.365 -3.863 500 HA VAL 64 HA VAL 64 -13.485 -9.129 -1.388 501 HB VAL 64 HB VAL 64 -11.778 -7.290 -0.945 502 HG11 VAL 64 1HG1 VAL 64 -10.707 -10.121 -1.174 503 HG12 VAL 64 2HG1 VAL 64 -10.158 -8.850 -0.056 504 HG13 VAL 64 3HG1 VAL 64 -11.786 -9.547 0.119 505 HG21 VAL 64 1HG2 VAL 64 -10.985 -7.067 -3.281 506 HG22 VAL 64 2HG2 VAL 64 -9.660 -7.406 -2.141 507 HG23 VAL 64 3HG2 VAL 64 -10.290 -8.703 -3.184 508 H LYS 65 H LYS 65 -15.112 -7.656 -1.255 509 HA LYS 65 HA LYS 65 -15.983 -6.333 -3.551 510 HB2 LYS 65 1HB LYS 65 -17.258 -7.081 -1.420 511 HB3 LYS 65 2HB LYS 65 -16.758 -5.543 -0.745 512 HG2 LYS 65 1HG LYS 65 -18.320 -4.418 -1.949 513 HG3 LYS 65 2HG LYS 65 -17.773 -5.140 -3.449 514 HD2 LYS 65 1HD LYS 65 -19.236 -7.011 -3.233 515 HD3 LYS 65 2HD LYS 65 -19.461 -6.758 -1.514 516 HE2 LYS 65 1HE LYS 65 -21.038 -5.073 -1.816 517 HE3 LYS 65 2HE LYS 65 -20.314 -4.508 -3.309 518 HZ1 LYS 65 1HZ LYS 65 -21.163 -7.050 -3.823 519 HZ2 LYS 65 2HZ LYS 65 -22.375 -6.382 -2.957 520 HZ3 LYS 65 3HZ LYS 65 -21.864 -5.666 -4.332 521 H VAL 66 H VAL 66 -14.815 -4.795 -4.586 522 HA VAL 66 HA VAL 66 -12.966 -3.151 -3.231 523 HB VAL 66 HB VAL 66 -12.454 -2.323 -5.315 524 HG11 VAL 66 1HG1 VAL 66 -13.833 -4.878 -6.169 525 HG12 VAL 66 2HG1 VAL 66 -12.319 -4.171 -6.784 526 HG13 VAL 66 3HG1 VAL 66 -12.373 -4.875 -5.150 527 HG21 VAL 66 1HG2 VAL 66 -15.302 -2.885 -6.213 528 HG22 VAL 66 2HG2 VAL 66 -14.618 -1.292 -5.808 529 HG23 VAL 66 3HG2 VAL 66 -14.011 -2.188 -7.222 530 H GLU 67 H GLU 67 -16.417 -2.910 -4.039 531 HA GLU 67 HA GLU 67 -16.639 -0.159 -3.784 532 HB2 GLU 67 1HB GLU 67 -18.639 -2.413 -3.348 533 HB3 GLU 67 2HB GLU 67 -19.095 -0.722 -3.289 534 HG2 GLU 67 1HG GLU 67 -17.876 -0.583 -5.640 535 HG3 GLU 67 2HG GLU 67 -18.080 -2.323 -5.655 536 H GLU 68 H GLU 68 -16.392 -2.781 -1.410 537 HA GLU 68 HA GLU 68 -17.103 -0.924 0.700 538 HB2 GLU 68 1HB GLU 68 -16.640 -3.938 0.708 539 HB3 GLU 68 2HB GLU 68 -16.980 -3.007 2.154 540 HG2 GLU 68 1HG GLU 68 -18.930 -2.298 0.131 541 HG3 GLU 68 2HG GLU 68 -18.853 -4.046 0.236 542 H SER 69 H SER 69 -14.431 -1.550 -1.088 543 HA SER 69 HA SER 69 -12.604 -1.810 1.122 544 HB2 SER 69 1HB SER 69 -12.147 -1.613 -1.888 545 HB3 SER 69 2HB SER 69 -10.863 -1.823 -0.714 546 HG SER 69 HG SER 69 -12.312 -3.770 -0.004 547 H SER 70 H SER 70 -11.216 -0.147 1.851 548 HA SER 70 HA SER 70 -11.182 2.311 0.374 549 HB2 SER 70 1HB SER 70 -12.384 2.088 3.161 550 HB3 SER 70 2HB SER 70 -11.781 3.606 2.526 551 HG SER 70 HG SER 70 -13.292 3.396 0.739 552 H TRP 71 H TRP 71 -9.211 3.389 0.674 553 HA TRP 71 HA TRP 71 -7.498 2.309 2.808 554 HB2 TRP 71 1HB TRP 71 -5.622 2.404 1.383 555 HB3 TRP 71 2HB TRP 71 -6.879 1.531 0.527 556 HD1 TRP 71 HD TRP 71 -8.177 3.024 -1.489 557 HE1 TRP 71 1HE TRP 71 -7.292 4.883 -3.140 558 HE3 TRP 71 3HE TRP 71 -4.049 4.216 1.231 559 HZ2 TRP 71 2HZ TRP 71 -5.016 6.605 -3.123 560 HZ3 TRP 71 3HZ TRP 71 -2.548 5.997 0.343 561 HH2 TRP 71 HH TRP 71 -2.976 7.176 -1.755 562 H LEU 72 H LEU 72 -5.769 3.945 3.474 563 HA LEU 72 HA LEU 72 -6.229 6.675 2.800 564 HB2 LEU 72 1HB LEU 72 -7.152 7.501 4.746 565 HB3 LEU 72 2HB LEU 72 -8.110 6.075 4.398 566 HG LEU 72 HG LEU 72 -6.190 5.032 6.053 567 HD11 LEU 72 1HD1 LEU 72 -6.624 7.003 7.954 568 HD12 LEU 72 2HD1 LEU 72 -5.100 6.670 7.096 569 HD13 LEU 72 3HD1 LEU 72 -6.215 7.915 6.481 570 HD21 LEU 72 1HD2 LEU 72 -9.007 5.773 6.213 571 HD22 LEU 72 2HD2 LEU 72 -8.166 4.312 6.787 572 HD23 LEU 72 3HD2 LEU 72 -8.205 5.774 7.802 573 H ILE 73 H ILE 73 -4.655 8.110 3.988 574 HA ILE 73 HA ILE 73 -2.279 6.517 4.631 575 HB ILE 73 HB ILE 73 -2.372 9.413 3.804 576 HG12 ILE 73 1HG1 ILE 73 -2.060 6.982 2.017 577 HG13 ILE 73 2HG1 ILE 73 -3.445 8.054 2.057 578 HG21 ILE 73 1HG2 ILE 73 -0.347 8.371 4.993 579 HG22 ILE 73 2HG2 ILE 73 -0.094 7.466 3.482 580 HG23 ILE 73 3HG2 ILE 73 -0.066 9.245 3.469 581 HD11 ILE 73 1HD1 ILE 73 -1.178 9.752 1.770 582 HD12 ILE 73 2HD1 ILE 73 -0.925 8.389 0.653 583 HD13 ILE 73 3HD1 ILE 73 -2.405 9.370 0.538 584 H GLU 74 H GLU 74 -2.166 6.189 6.799 585 HA GLU 74 HA GLU 74 -3.305 8.041 8.593 586 HB2 GLU 74 1HB GLU 74 -1.657 5.518 8.860 587 HB3 GLU 74 2HB GLU 74 -1.935 6.517 10.273 588 HG2 GLU 74 1HG GLU 74 -4.463 6.275 8.951 589 HG3 GLU 74 2HG GLU 74 -3.759 4.670 8.961 590 H ASP 75 H ASP 75 -2.328 9.637 9.870 591 HA ASP 75 HA ASP 75 -0.913 11.267 10.204 592 HB2 ASP 75 1HB ASP 75 0.441 8.731 10.884 593 HB3 ASP 75 2HB ASP 75 1.582 10.026 10.576 594 H GLY 76 H GLY 76 -1.172 10.328 7.347 595 HA2 GLY 76 1HA GLY 76 -0.127 10.435 5.340 596 HA3 GLY 76 2HA GLY 76 0.477 11.949 5.982 597 H LYS 77 H LYS 77 1.197 8.480 6.806 598 HA LYS 77 HA LYS 77 3.929 8.913 5.889 599 HB2 LYS 77 1HB LYS 77 4.717 7.792 8.052 600 HB3 LYS 77 2HB LYS 77 4.268 9.484 8.127 601 HG2 LYS 77 1HG LYS 77 1.998 8.848 8.965 602 HG3 LYS 77 2HG LYS 77 2.439 7.154 8.882 603 HD2 LYS 77 1HD LYS 77 4.500 7.958 10.403 604 HD3 LYS 77 2HD LYS 77 3.416 9.279 10.792 605 HE2 LYS 77 1HE LYS 77 1.804 6.948 10.958 606 HE3 LYS 77 2HE LYS 77 3.328 6.492 11.693 607 HZ1 LYS 77 1HZ LYS 77 2.693 9.033 12.581 608 HZ2 LYS 77 2HZ LYS 77 1.345 8.125 12.741 609 HZ3 LYS 77 3HZ LYS 77 2.738 7.650 13.449 610 H VAL 78 H VAL 78 1.456 6.658 7.261 611 HA VAL 78 HA VAL 78 2.605 4.593 5.513 612 HB VAL 78 HB VAL 78 2.388 3.068 7.139 613 HG11 VAL 78 1HG1 VAL 78 3.474 5.279 8.112 614 HG12 VAL 78 2HG1 VAL 78 2.055 5.232 9.185 615 HG13 VAL 78 3HG1 VAL 78 3.187 3.859 9.146 616 HG21 VAL 78 1HG2 VAL 78 -0.058 3.118 7.129 617 HG22 VAL 78 2HG2 VAL 78 0.562 2.972 8.791 618 HG23 VAL 78 3HG2 VAL 78 -0.049 4.537 8.202 619 H VAL 79 H VAL 79 1.173 3.365 4.219 620 HA VAL 79 HA VAL 79 -1.401 4.685 3.837 621 HB VAL 79 HB VAL 79 0.421 2.995 2.160 622 HG11 VAL 79 1HG1 VAL 79 -2.550 3.145 1.975 623 HG12 VAL 79 2HG1 VAL 79 -1.634 3.292 0.457 624 HG13 VAL 79 3HG1 VAL 79 -1.432 1.852 1.483 625 HG21 VAL 79 1HG2 VAL 79 0.935 5.045 1.426 626 HG22 VAL 79 2HG2 VAL 79 -0.671 5.076 0.658 627 HG23 VAL 79 3HG2 VAL 79 -0.445 5.778 2.278 628 H THR 80 H THR 80 -3.197 3.813 4.720 629 HA THR 80 HA THR 80 -3.069 0.975 5.476 630 HB THR 80 HB THR 80 -5.130 1.846 6.899 631 HG1 THR 80 1HG THR 80 -4.761 4.223 7.215 632 HG21 THR 80 1HG2 THR 80 -2.583 1.458 7.648 633 HG22 THR 80 2HG2 THR 80 -2.555 3.237 7.675 634 HG23 THR 80 3HG2 THR 80 -3.704 2.349 8.705 635 H VAL 81 H VAL 81 -4.429 -0.526 4.644 636 HA VAL 81 HA VAL 81 -6.479 0.508 2.810 637 HB VAL 81 HB VAL 81 -4.744 -1.948 2.480 638 HG11 VAL 81 1HG1 VAL 81 -7.211 -1.013 1.163 639 HG12 VAL 81 2HG1 VAL 81 -5.895 -1.440 0.042 640 HG13 VAL 81 3HG1 VAL 81 -6.483 -2.636 1.223 641 HG21 VAL 81 1HG2 VAL 81 -4.597 0.173 0.444 642 HG22 VAL 81 2HG2 VAL 81 -3.986 0.660 2.043 643 HG23 VAL 81 3HG2 VAL 81 -3.300 -0.764 1.224 644 H HIS 82 H HIS 82 -8.483 -0.605 2.792 645 HA HIS 82 HA HIS 82 -8.727 -2.673 4.846 646 HB2 HIS 82 1HB HIS 82 -9.695 -1.029 6.072 647 HB3 HIS 82 2HB HIS 82 -10.099 -0.055 4.672 648 HD1 HIS 82 1HD HIS 82 -11.299 -3.340 6.262 649 HD2 HIS 82 2HD HIS 82 -12.770 -0.051 4.113 650 HE1 HIS 82 1HE HIS 82 -13.827 -3.654 6.116 651 H LEU 83 H LEU 83 -9.072 -4.480 3.626 652 HA LEU 83 HA LEU 83 -10.720 -4.228 1.246 653 HB2 LEU 83 1HB LEU 83 -9.219 -6.624 2.305 654 HB3 LEU 83 2HB LEU 83 -9.952 -6.454 0.723 655 HG LEU 83 HG LEU 83 -7.759 -6.066 0.210 656 HD11 LEU 83 1HD1 LEU 83 -9.207 -4.075 -0.377 657 HD12 LEU 83 2HD1 LEU 83 -8.477 -3.243 1.018 658 HD13 LEU 83 3HD1 LEU 83 -7.451 -3.783 -0.333 659 HD21 LEU 83 1HD2 LEU 83 -6.073 -5.206 1.604 660 HD22 LEU 83 2HD2 LEU 83 -7.246 -4.417 2.685 661 HD23 LEU 83 3HD2 LEU 83 -7.102 -6.191 2.671 662 H GLU 84 H GLU 84 -12.465 -5.880 0.867 663 HA GLU 84 HA GLU 84 -13.622 -6.793 3.366 664 HB2 GLU 84 1HB GLU 84 -14.572 -4.526 2.002 665 HB3 GLU 84 2HB GLU 84 -15.664 -5.800 1.496 666 HG2 GLU 84 1HG GLU 84 -15.017 -5.780 4.413 667 HG3 GLU 84 2HG GLU 84 -15.917 -4.387 3.846 668 H LYS 85 H LYS 85 -13.698 -8.985 3.108 669 HA LYS 85 HA LYS 85 -13.626 -10.243 0.624 670 HB2 LYS 85 1HB LYS 85 -14.603 -11.403 3.248 671 HB3 LYS 85 2HB LYS 85 -13.982 -12.287 1.869 672 HG2 LYS 85 1HG LYS 85 -11.792 -11.808 2.375 673 HG3 LYS 85 2HG LYS 85 -12.152 -10.158 2.843 674 HD2 LYS 85 1HD LYS 85 -12.873 -10.826 5.047 675 HD3 LYS 85 2HD LYS 85 -12.962 -12.516 4.591 676 HE2 LYS 85 1HE LYS 85 -10.350 -12.129 4.032 677 HE3 LYS 85 2HE LYS 85 -10.532 -10.837 5.201 678 HZ1 LYS 85 1HZ LYS 85 -11.052 -12.317 6.847 679 HZ2 LYS 85 2HZ LYS 85 -11.555 -13.492 5.831 680 HZ3 LYS 85 3HZ LYS 85 -9.960 -13.183 5.995 681 H ILE 86 H ILE 86 -15.227 -11.312 -0.625 682 HA ILE 86 HA ILE 86 -17.732 -9.970 -0.608 683 HB ILE 86 HB ILE 86 -16.586 -12.242 -2.222 684 HG12 ILE 86 1HG1 ILE 86 -15.871 -9.677 -2.338 685 HG13 ILE 86 2HG1 ILE 86 -15.954 -10.699 -3.759 686 HG21 ILE 86 1HG2 ILE 86 -18.782 -12.784 -2.496 687 HG22 ILE 86 2HG2 ILE 86 -19.355 -11.134 -2.149 688 HG23 ILE 86 3HG2 ILE 86 -18.643 -11.514 -3.736 689 HD11 ILE 86 1HD1 ILE 86 -17.169 -8.332 -3.723 690 HD12 ILE 86 2HD1 ILE 86 -17.932 -9.721 -4.532 691 HD13 ILE 86 3HD1 ILE 86 -18.456 -9.245 -2.899 692 H ASN 87 H ASN 87 -16.436 -12.990 0.717 693 HA ASN 87 HA ASN 87 -19.139 -13.824 1.348 694 HB2 ASN 87 1HB ASN 87 -16.475 -15.283 1.759 695 HB3 ASN 87 2HB ASN 87 -18.062 -15.981 2.016 696 HD21 ASN 87 1HD2 ASN 87 -19.566 -15.952 0.159 697 HD22 ASN 87 2HD2 ASN 87 -18.942 -16.248 -1.429 698 H LYS 88 H LYS 88 -16.078 -12.591 2.672 699 HA LYS 88 HA LYS 88 -15.336 -12.416 4.803 700 HB2 LYS 88 1HB LYS 88 -16.384 -10.575 5.839 701 HB3 LYS 88 2HB LYS 88 -16.644 -10.359 4.120 702 HG2 LYS 88 1HG LYS 88 -18.858 -10.164 4.592 703 HG3 LYS 88 2HG LYS 88 -18.858 -11.890 4.892 704 HD2 LYS 88 1HD LYS 88 -17.951 -11.123 7.306 705 HD3 LYS 88 2HD LYS 88 -18.739 -9.618 6.874 706 HE2 LYS 88 1HE LYS 88 -20.809 -11.106 6.264 707 HE3 LYS 88 2HE LYS 88 -19.997 -12.373 7.161 708 HZ1 LYS 88 1HZ LYS 88 -20.360 -11.324 9.084 709 HZ2 LYS 88 2HZ LYS 88 -20.134 -9.824 8.480 710 HZ3 LYS 88 3HZ LYS 88 -21.567 -10.579 8.275 711 H MET 89 H MET 89 -15.572 -14.828 5.152 712 HA MET 89 HA MET 89 -17.047 -15.175 7.562 713 HB2 MET 89 1HB MET 89 -18.226 -17.268 6.631 714 HB3 MET 89 2HB MET 89 -18.849 -15.745 6.027 715 HG2 MET 89 1HG MET 89 -18.577 -16.754 3.975 716 HG3 MET 89 2HG MET 89 -16.924 -16.196 4.145 717 HE1 MET 89 1HE MET 89 -17.280 -19.084 2.270 718 HE2 MET 89 2HE MET 89 -18.246 -20.180 3.286 719 HE3 MET 89 3HE MET 89 -18.835 -18.535 2.941 720 H GLU 90 H GLU 90 -15.154 -16.666 4.872 721 HA GLU 90 HA GLU 90 -14.149 -18.678 6.630 722 HB2 GLU 90 1HB GLU 90 -12.931 -19.483 4.669 723 HB3 GLU 90 2HB GLU 90 -14.585 -19.124 4.216 724 HG2 GLU 90 1HG GLU 90 -13.673 -16.756 3.550 725 HG3 GLU 90 2HG GLU 90 -12.087 -17.496 3.627 726 H TRP 91 H TRP 91 -11.547 -19.009 6.390 727 HA TRP 91 HA TRP 91 -10.405 -16.417 7.171 728 HB2 TRP 91 1HB TRP 91 -10.188 -17.646 9.068 729 HB3 TRP 91 2HB TRP 91 -10.120 -19.179 8.221 730 HD1 TRP 91 HD TRP 91 -7.663 -20.012 7.405 731 HE1 TRP 91 1HE TRP 91 -5.180 -19.355 8.008 732 HE3 TRP 91 3HE TRP 91 -8.824 -15.612 9.674 733 HZ2 TRP 91 2HZ TRP 91 -4.006 -17.119 9.338 734 HZ3 TRP 91 3HZ TRP 91 -6.950 -14.253 10.598 735 HH2 TRP 91 HH TRP 91 -4.609 -14.942 10.458 736 H TRP 92 H TRP 92 -8.781 -15.607 5.889 737 HA TRP 92 HA TRP 92 -8.147 -16.960 3.480 738 HB2 TRP 92 1HB TRP 92 -7.139 -14.435 4.785 739 HB3 TRP 92 2HB TRP 92 -6.499 -15.029 3.265 740 HD1 TRP 92 HD TRP 92 -10.274 -15.378 3.876 741 HE1 TRP 92 1HE TRP 92 -11.661 -13.793 2.287 742 HE3 TRP 92 3HE TRP 92 -6.269 -12.827 2.059 743 HZ2 TRP 92 2HZ TRP 92 -10.943 -11.696 0.488 744 HZ3 TRP 92 3HZ TRP 92 -6.699 -11.026 0.390 745 HH2 TRP 92 HH TRP 92 -8.939 -10.446 -0.397 746 H ASN 93 H ASN 93 -5.739 -17.301 2.849 747 HA ASN 93 HA ASN 93 -4.435 -18.542 5.141 748 HB2 ASN 93 1HB ASN 93 -5.058 -19.513 2.468 749 HB3 ASN 93 2HB ASN 93 -3.317 -19.491 2.659 750 HD21 ASN 93 1HD2 ASN 93 -5.306 -21.686 2.518 751 HD22 ASN 93 2HD2 ASN 93 -5.046 -22.678 3.913 752 H ARG 94 H ARG 94 -4.326 -16.138 2.612 753 HA ARG 94 HA ARG 94 -1.838 -15.206 3.558 754 HB2 ARG 94 1HB ARG 94 -1.173 -15.243 0.850 755 HB3 ARG 94 2HB ARG 94 -0.514 -16.321 2.063 756 HG2 ARG 94 1HG ARG 94 -1.344 -17.744 0.318 757 HG3 ARG 94 2HG ARG 94 -2.503 -17.878 1.625 758 HD2 ARG 94 1HD ARG 94 -4.148 -16.644 0.491 759 HD3 ARG 94 2HD ARG 94 -2.979 -15.737 -0.448 760 HE ARG 94 HE ARG 94 -3.134 -17.374 -2.096 761 HH11 ARG 94 2HH2 ARG 94 -4.021 -18.818 0.988 762 HH12 ARG 94 1HH2 ARG 94 -4.416 -20.357 0.299 763 HH21 ARG 94 2HH1 ARG 94 -3.657 -19.404 -3.006 764 HH22 ARG 94 1HH1 ARG 94 -4.208 -20.692 -1.988 765 H LEU 95 H LEU 95 -1.749 -12.960 3.245 766 HA LEU 95 HA LEU 95 -3.852 -11.459 2.715 767 HB2 LEU 95 1HB LEU 95 -1.624 -10.693 3.460 768 HB3 LEU 95 2HB LEU 95 -1.045 -10.802 1.810 769 HG LEU 95 HG LEU 95 -1.789 -8.507 2.804 770 HD11 LEU 95 1HD1 LEU 95 -2.283 -9.601 0.058 771 HD12 LEU 95 2HD1 LEU 95 -2.771 -7.933 0.443 772 HD13 LEU 95 3HD1 LEU 95 -1.070 -8.426 0.621 773 HD21 LEU 95 1HD2 LEU 95 -4.078 -9.591 3.418 774 HD22 LEU 95 2HD2 LEU 95 -4.024 -7.926 2.792 775 HD23 LEU 95 3HD2 LEU 95 -4.482 -9.267 1.715 776 H VAL 96 H VAL 96 -1.447 -12.259 0.103 777 HA VAL 96 HA VAL 96 -3.699 -12.069 -1.776 778 HB VAL 96 HB VAL 96 -1.790 -11.388 -3.397 779 HG11 VAL 96 1HG1 VAL 96 -3.634 -9.946 -1.788 780 HG12 VAL 96 2HG1 VAL 96 -2.120 -9.010 -1.819 781 HG13 VAL 96 3HG1 VAL 96 -2.916 -9.466 -3.344 782 HG21 VAL 96 1HG2 VAL 96 0.165 -10.487 -2.563 783 HG22 VAL 96 2HG2 VAL 96 -0.537 -10.163 -0.959 784 HG23 VAL 96 3HG2 VAL 96 -0.101 -11.826 -1.421 785 H THR 97 H THR 97 -3.214 -13.332 -3.868 786 HA THR 97 HA THR 97 -2.257 -15.951 -3.052 787 HB THR 97 HB THR 97 -3.413 -16.665 -5.103 788 HG1 THR 97 1HG THR 97 -2.666 -14.806 -6.378 789 HG21 THR 97 1HG2 THR 97 -4.747 -14.845 -3.184 790 HG22 THR 97 2HG2 THR 97 -5.529 -14.857 -4.783 791 HG23 THR 97 3HG2 THR 97 -5.334 -16.376 -3.876 792 H SER 98 H SER 98 -1.340 -13.244 -5.183 793 HA SER 98 HA SER 98 1.119 -14.726 -5.677 794 HB2 SER 98 1HB SER 98 -0.685 -13.307 -7.622 795 HB3 SER 98 2HB SER 98 1.042 -13.204 -7.901 796 HG SER 98 HG SER 98 1.181 -15.460 -8.076 797 H ASP 99 H ASP 99 2.141 -13.583 -3.920 798 HA ASP 99 HA ASP 99 2.080 -10.717 -4.028 799 HB2 ASP 99 1HB ASP 99 3.672 -11.006 -2.011 800 HB3 ASP 99 2HB ASP 99 2.027 -11.576 -1.812 801 HA PRO 100 HA PRO 100 5.942 -10.501 -6.100 802 HB2 PRO 100 1HB PRO 100 6.788 -7.996 -5.405 803 HB3 PRO 100 2HB PRO 100 5.610 -8.294 -6.668 804 HG2 PRO 100 1HG PRO 100 5.173 -7.262 -3.932 805 HG3 PRO 100 2HG PRO 100 4.112 -7.168 -5.323 806 HD2 PRO 100 1HD PRO 100 3.859 -8.949 -3.088 807 HD3 PRO 100 2HD PRO 100 2.867 -8.933 -4.533 808 H GLU 101 H GLU 101 6.481 -8.860 -3.012 809 HA GLU 101 HA GLU 101 7.886 -9.284 -1.402 810 HB2 GLU 101 1HB GLU 101 7.523 -11.915 -2.553 811 HB3 GLU 101 2HB GLU 101 9.199 -11.743 -2.070 812 HG2 GLU 101 1HG GLU 101 7.931 -10.628 0.109 813 HG3 GLU 101 2HG GLU 101 6.736 -11.811 -0.384 814 H ILE 102 H ILE 102 9.828 -8.245 -1.158 815 HA ILE 102 HA ILE 102 11.573 -8.210 -3.506 816 HB ILE 102 HB ILE 102 11.693 -6.346 -1.149 817 HG12 ILE 102 1HG1 ILE 102 9.947 -6.059 -3.613 818 HG13 ILE 102 2HG1 ILE 102 9.383 -6.318 -1.974 819 HG21 ILE 102 1HG2 ILE 102 13.543 -5.802 -2.309 820 HG22 ILE 102 2HG2 ILE 102 12.951 -6.540 -3.817 821 HG23 ILE 102 3HG2 ILE 102 12.394 -4.917 -3.341 822 HD11 ILE 102 1HD1 ILE 102 11.213 -4.087 -1.935 823 HD12 ILE 102 2HD1 ILE 102 10.033 -3.831 -3.243 824 HD13 ILE 102 3HD1 ILE 102 9.470 -4.094 -1.575 825 H ASN 103 H ASN 103 14.022 -7.825 -2.765 826 HA ASN 103 HA ASN 103 14.557 -10.102 -1.066 827 HB2 ASN 103 1HB ASN 103 16.020 -8.633 -3.248 828 HB3 ASN 103 2HB ASN 103 17.021 -9.344 -1.998 829 HD21 ASN 103 1HD2 ASN 103 16.087 -9.894 -4.945 830 HD22 ASN 103 2HD2 ASN 103 15.855 -11.610 -4.985 831 H THR 104 H THR 104 13.625 -7.613 0.154 832 HA THR 104 HA THR 104 16.056 -6.411 1.255 833 HB THR 104 HB THR 104 14.188 -4.842 2.232 834 HG1 THR 104 1HG THR 104 12.288 -5.953 1.805 835 HG21 THR 104 1HG2 THR 104 15.373 -4.976 -0.415 836 HG22 THR 104 2HG2 THR 104 13.676 -4.461 -0.573 837 HG23 THR 104 3HG2 THR 104 14.795 -3.537 0.459 838 H LYS 105 H LYS 105 16.037 -5.921 3.653 839 HA LYS 105 HA LYS 105 15.292 -8.399 4.997 840 HB2 LYS 105 1HB LYS 105 17.516 -6.542 5.147 841 HB3 LYS 105 2HB LYS 105 16.793 -6.764 6.727 842 HG2 LYS 105 1HG LYS 105 17.057 -9.296 5.211 843 HG3 LYS 105 2HG LYS 105 18.596 -8.511 5.506 844 HD2 LYS 105 1HD LYS 105 16.660 -8.695 7.810 845 HD3 LYS 105 2HD LYS 105 17.471 -10.167 7.313 846 HE2 LYS 105 1HE LYS 105 19.385 -9.515 8.342 847 HE3 LYS 105 2HE LYS 105 19.433 -8.039 7.397 848 HZ1 LYS 105 1HZ LYS 105 17.755 -7.172 9.014 849 HZ2 LYS 105 2HZ LYS 105 18.069 -8.470 9.953 850 HZ3 LYS 105 3HZ LYS 105 19.256 -7.401 9.614 851 H LYS 106 H LYS 106 14.620 -8.049 7.416 852 HA LYS 106 HA LYS 106 12.314 -6.309 7.305 853 HB2 LYS 106 1HB LYS 106 12.381 -8.758 8.127 854 HB3 LYS 106 2HB LYS 106 13.097 -8.117 9.592 855 HG2 LYS 106 1HG LYS 106 10.815 -6.473 8.880 856 HG3 LYS 106 2HG LYS 106 10.323 -8.155 8.853 857 HD2 LYS 106 1HD LYS 106 11.767 -8.165 11.168 858 HD3 LYS 106 2HD LYS 106 11.266 -6.486 11.161 859 HE2 LYS 106 1HE LYS 106 9.201 -7.085 11.878 860 HE3 LYS 106 2HE LYS 106 8.964 -8.044 10.430 861 HZ1 LYS 106 1HZ LYS 106 9.871 -8.888 13.044 862 HZ2 LYS 106 2HZ LYS 106 8.861 -9.637 12.002 863 HZ3 LYS 106 3HZ LYS 106 10.475 -9.687 11.754 864 H ILE 107 H ILE 107 13.524 -4.270 7.250 865 HA ILE 107 HA ILE 107 15.410 -3.363 8.882 866 HB ILE 107 HB ILE 107 13.817 -1.205 8.909 867 HG12 ILE 107 1HG1 ILE 107 12.813 -2.232 6.352 868 HG13 ILE 107 2HG1 ILE 107 12.134 -3.067 7.735 869 HG21 ILE 107 1HG2 ILE 107 16.003 -1.432 7.812 870 HG22 ILE 107 2HG2 ILE 107 15.231 -2.295 6.460 871 HG23 ILE 107 3HG2 ILE 107 14.821 -0.592 6.779 872 HD11 ILE 107 1HD1 ILE 107 11.885 -0.574 8.697 873 HD12 ILE 107 2HD1 ILE 107 11.908 -0.166 6.964 874 HD13 ILE 107 3HD1 ILE 107 10.665 -1.270 7.602 875 H ASN 108 H ASN 108 12.012 -2.576 9.835 876 HA ASN 108 HA ASN 108 12.364 -3.807 12.361 877 HB2 ASN 108 1HB ASN 108 13.605 -1.495 12.463 878 HB3 ASN 108 2HB ASN 108 12.009 -0.775 12.396 879 HD21 ASN 108 1HD2 ASN 108 13.669 -3.460 14.054 880 HD22 ASN 108 2HD2 ASN 108 13.053 -3.152 15.643 881 HA PRO 109 HA PRO 109 8.022 -3.537 11.709 882 HB2 PRO 109 1HB PRO 109 7.144 -4.694 14.024 883 HB3 PRO 109 2HB PRO 109 7.677 -5.617 12.633 884 HG2 PRO 109 1HG PRO 109 9.086 -5.135 15.187 885 HG3 PRO 109 2HG PRO 109 9.390 -6.369 13.981 886 HD2 PRO 109 1HD PRO 109 10.911 -3.975 14.407 887 HD3 PRO 109 2HD PRO 109 11.144 -5.151 13.129 888 H GLU 110 H GLU 110 8.581 -2.945 15.151 889 HA GLU 110 HA GLU 110 8.011 -1.287 16.432 890 HB2 GLU 110 1HB GLU 110 9.188 0.019 14.469 891 HB3 GLU 110 2HB GLU 110 7.569 0.563 14.073 892 HG2 GLU 110 1HG GLU 110 8.526 0.775 16.937 893 HG3 GLU 110 2HG GLU 110 9.088 1.952 15.766 894 H ASN 111 H ASN 111 6.085 -1.428 17.489 895 HA ASN 111 HA ASN 111 3.722 -0.710 15.977 896 HB2 ASN 111 1HB ASN 111 4.176 -3.296 17.524 897 HB3 ASN 111 2HB ASN 111 2.555 -2.662 17.324 898 HD21 ASN 111 1HD2 ASN 111 1.475 -3.061 15.528 899 HD22 ASN 111 2HD2 ASN 111 2.108 -3.761 14.076 900 H SER 112 H SER 112 1.933 0.006 17.451 901 HA SER 112 HA SER 112 2.341 0.008 20.230 902 HB2 SER 112 1HB SER 112 2.340 2.644 20.294 903 HB3 SER 112 2HB SER 112 3.853 1.780 20.106 904 HG SER 112 HG SER 112 2.293 2.746 17.868 905 H LYS 113 H LYS 113 0.412 0.736 21.348 906 HA LYS 113 HA LYS 113 -1.696 1.885 19.735 907 HB2 LYS 113 1HB LYS 113 -1.853 -0.912 20.878 908 HB3 LYS 113 2HB LYS 113 -3.280 0.034 20.504 909 HG2 LYS 113 1HG LYS 113 -2.090 0.385 18.151 910 HG3 LYS 113 2HG LYS 113 -1.167 -1.031 18.612 911 HD2 LYS 113 1HD LYS 113 -3.090 -2.428 18.682 912 HD3 LYS 113 2HD LYS 113 -4.190 -1.073 18.845 913 HE2 LYS 113 1HE LYS 113 -4.531 -1.380 16.598 914 HE3 LYS 113 2HE LYS 113 -3.051 -0.458 16.427 915 HZ1 LYS 113 1HZ LYS 113 -3.432 -2.961 15.542 916 HZ2 LYS 113 2HZ LYS 113 -1.974 -2.254 15.749 917 HZ3 LYS 113 3HZ LYS 113 -2.586 -3.221 16.915 918 H LEU 114 H LEU 114 -3.193 3.044 20.981 919 HA LEU 114 HA LEU 114 -2.932 2.814 23.872 920 HB2 LEU 114 1HB LEU 114 -2.944 5.429 23.826 921 HB3 LEU 114 2HB LEU 114 -1.451 4.515 23.759 922 HG LEU 114 HG LEU 114 -1.491 6.424 22.198 923 HD11 LEU 114 1HD1 LEU 114 -0.233 5.356 20.652 924 HD12 LEU 114 2HD1 LEU 114 -0.416 3.996 21.786 925 HD13 LEU 114 3HD1 LEU 114 -1.461 4.103 20.348 926 HD21 LEU 114 1HD2 LEU 114 -3.709 4.914 20.787 927 HD22 LEU 114 2HD2 LEU 114 -3.885 6.440 21.687 928 HD23 LEU 114 3HD2 LEU 114 -2.901 6.389 20.204 929 H SER 115 H SER 115 -5.009 1.863 23.890 930 HA SER 115 HA SER 115 -7.146 2.853 22.462 931 HB2 SER 115 1HB SER 115 -7.115 1.372 25.129 932 HB3 SER 115 2HB SER 115 -8.540 1.583 24.130 933 HG SER 115 HG SER 115 -7.150 -0.482 23.932 934 H ASP 116 H ASP 116 -6.485 3.225 26.030 935 HA ASP 116 HA ASP 116 -6.924 4.816 27.435 936 HB2 ASP 116 1HB ASP 116 -5.812 6.211 25.510 937 HB3 ASP 116 2HB ASP 116 -7.438 6.762 25.155 938 H LEU 117 H LEU 117 -9.093 3.190 26.062 939 HA LEU 117 HA LEU 117 -11.340 4.878 25.696 940 HB2 LEU 117 1HB LEU 117 -10.742 1.984 25.692 941 HB3 LEU 117 2HB LEU 117 -12.386 2.416 26.118 942 HG LEU 117 HG LEU 117 -11.336 3.782 23.715 943 HD11 LEU 117 1HD1 LEU 117 -12.166 1.006 23.133 944 HD12 LEU 117 2HD1 LEU 117 -10.943 2.036 22.351 945 HD13 LEU 117 3HD1 LEU 117 -10.557 1.192 23.870 946 HD21 LEU 117 1HD2 LEU 117 -13.775 3.528 24.832 947 HD22 LEU 117 2HD2 LEU 117 -13.507 3.836 23.099 948 HD23 LEU 117 3HD2 LEU 117 -13.829 2.181 23.669 949 H ASP 118 H ASP 118 -13.354 4.743 27.057 950 HA ASP 118 HA ASP 118 -12.673 4.284 29.845 951 HB2 ASP 118 1HB ASP 118 -12.791 6.809 28.875 952 HB3 ASP 118 2HB ASP 118 -14.508 6.566 29.131 953 H SER 119 H SER 119 -15.336 5.317 30.715 954 HA SER 119 HA SER 119 -17.418 4.323 29.251 955 HB2 SER 119 1HB SER 119 -15.904 2.221 30.569 956 HB3 SER 119 2HB SER 119 -17.507 2.306 31.270 957 HG SER 119 HG SER 119 -18.319 2.295 28.976 958 H GLU 120 H GLU 120 -19.262 5.203 30.175 959 HA GLU 120 HA GLU 120 -18.982 6.715 32.488 960 HB2 GLU 120 1HB GLU 120 -20.704 6.766 30.420 961 HB3 GLU 120 2HB GLU 120 -21.713 5.877 31.543 962 HG2 GLU 120 1HG GLU 120 -20.707 7.925 33.148 963 HG3 GLU 120 2HG GLU 120 -20.889 8.724 31.599 964 H THR 121 H THR 121 -21.813 5.898 33.484 965 HA THR 121 HA THR 121 -21.462 3.277 34.572 966 HB THR 121 HB THR 121 -19.854 4.677 35.949 967 HG1 THR 121 1HG THR 121 -20.897 2.873 36.950 968 HG21 THR 121 1HG2 THR 121 -21.928 6.590 35.913 969 HG22 THR 121 2HG2 THR 121 -22.037 5.867 37.536 970 HG23 THR 121 3HG2 THR 121 -20.513 6.609 36.993 971 H ARG 122 H ARG 122 -23.189 3.332 36.694 972 HA ARG 122 HA ARG 122 -25.467 4.867 35.959 973 HB2 ARG 122 1HB ARG 122 -25.156 2.131 34.982 974 HB3 ARG 122 2HB ARG 122 -26.524 2.210 36.074 975 HG2 ARG 122 1HG ARG 122 -26.738 4.542 34.469 976 HG3 ARG 122 2HG ARG 122 -26.267 3.272 33.357 977 HD2 ARG 122 1HD ARG 122 -28.427 2.568 33.345 978 HD3 ARG 122 2HD ARG 122 -28.223 2.064 35.011 979 HE ARG 122 HE ARG 122 -28.764 4.924 34.779 980 HH11 ARG 122 2HH2 ARG 122 -30.256 1.739 34.892 981 HH12 ARG 122 1HH2 ARG 122 -31.779 2.332 35.465 982 HH21 ARG 122 2HH1 ARG 122 -30.774 5.707 35.534 983 HH22 ARG 122 1HH1 ARG 122 -32.075 4.604 35.832 984 H SER 123 H SER 123 -27.472 3.738 37.415 985 HA SER 123 HA SER 123 -26.482 2.616 39.829 986 HB2 SER 123 1HB SER 123 -27.368 4.481 41.285 987 HB3 SER 123 2HB SER 123 -25.936 4.907 40.369 988 HG SER 123 HG SER 123 -27.381 5.911 38.763 989 H MET 124 H MET 124 -28.394 2.264 41.419 990 HA MET 124 HA MET 124 -30.993 2.716 40.614 991 HB2 MET 124 1HB MET 124 -29.802 0.719 39.044 992 HB3 MET 124 2HB MET 124 -30.588 -0.223 40.296 993 HG2 MET 124 1HG MET 124 -32.310 1.950 39.252 994 HG3 MET 124 2HG MET 124 -31.829 0.812 38.009 995 HE1 MET 124 1HE MET 124 -35.216 0.126 38.610 996 HE2 MET 124 2HE MET 124 -35.244 0.688 40.299 997 HE3 MET 124 3HE MET 124 -34.416 1.653 39.053 998 H VAL 125 H VAL 125 -32.581 1.640 42.073 999 HA VAL 125 HA VAL 125 -31.237 0.530 44.441 1000 HB VAL 125 HB VAL 125 -32.229 2.909 44.516 1001 HG11 VAL 125 1HG1 VAL 125 -34.419 3.238 44.207 1002 HG12 VAL 125 2HG1 VAL 125 -34.504 1.571 43.590 1003 HG13 VAL 125 3HG1 VAL 125 -34.844 1.904 45.305 1004 HG21 VAL 125 1HG2 VAL 125 -31.729 2.357 46.636 1005 HG22 VAL 125 2HG2 VAL 125 -33.468 2.022 46.812 1006 HG23 VAL 125 3HG2 VAL 125 -32.338 0.695 46.447 1007 H SER 126 H SER 126 -34.061 0.162 45.573 1008 HA SER 126 HA SER 126 -35.476 -1.493 43.870 1009 HB2 SER 126 1HB SER 126 -33.324 -2.887 44.278 1010 HB3 SER 126 2HB SER 126 -33.908 -3.105 45.916 1011 HG SER 126 HG SER 126 -35.267 -3.881 43.477 1012 H GLY 127 H GLY 127 -37.521 -1.364 44.723 1013 HA2 GLY 127 1HA GLY 127 -37.752 -1.189 47.669 1014 HA3 GLY 127 2HA GLY 127 -38.699 -0.209 46.566 1015 HA PRO 128 HA PRO 128 -40.209 -4.732 46.500 1016 HB2 PRO 128 1HB PRO 128 -39.839 -6.145 48.810 1017 HB3 PRO 128 2HB PRO 128 -38.795 -6.304 47.412 1018 HG2 PRO 128 1HG PRO 128 -38.274 -4.906 49.964 1019 HG3 PRO 128 2HG PRO 128 -37.127 -5.438 48.750 1020 HD2 PRO 128 1HD PRO 128 -38.044 -2.756 49.187 1021 HD3 PRO 128 2HD PRO 128 -36.988 -3.307 47.901 1022 H SER 129 H SER 129 -41.951 -6.053 47.942 1023 HA SER 129 HA SER 129 -43.237 -4.169 49.679 1024 HB2 SER 129 1HB SER 129 -44.428 -5.044 47.024 1025 HB3 SER 129 2HB SER 129 -45.452 -4.546 48.356 1026 HG SER 129 HG SER 129 -45.127 -2.627 47.366 1027 H SER 130 H SER 130 -45.543 -5.319 50.336 1028 HA SER 130 HA SER 130 -45.511 -8.128 50.172 1029 HB2 SER 130 1HB SER 130 -43.708 -7.858 51.851 1030 HB3 SER 130 2HB SER 130 -44.757 -6.870 52.848 1031 HG SER 130 HG SER 130 -45.641 -8.637 53.665 1032 H GLY 131 H GLY 131 -47.628 -8.822 50.432 1033 HA2 GLY 131 1HA GLY 131 -49.547 -6.822 51.407 1034 HA3 GLY 131 2HA GLY 131 -49.888 -8.198 50.376
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